WorldWideScience

Sample records for twelve pda ligands

  1. PDA: Pooled DNA analyzer

    Directory of Open Access Journals (Sweden)

    Lin Chin-Yu

    2006-04-01

    Full Text Available Abstract Background Association mapping using abundant single nucleotide polymorphisms is a powerful tool for identifying disease susceptibility genes for complex traits and exploring possible genetic diversity. Genotyping large numbers of SNPs individually is performed routinely but is cost prohibitive for large-scale genetic studies. DNA pooling is a reliable and cost-saving alternative genotyping method. However, no software has been developed for complete pooled-DNA analyses, including data standardization, allele frequency estimation, and single/multipoint DNA pooling association tests. This motivated the development of the software, 'PDA' (Pooled DNA Analyzer, to analyze pooled DNA data. Results We develop the software, PDA, for the analysis of pooled-DNA data. PDA is originally implemented with the MATLAB® language, but it can also be executed on a Windows system without installing the MATLAB®. PDA provides estimates of the coefficient of preferential amplification and allele frequency. PDA considers an extended single-point association test, which can compare allele frequencies between two DNA pools constructed under different experimental conditions. Moreover, PDA also provides novel chromosome-wide multipoint association tests based on p-value combinations and a sliding-window concept. This new multipoint testing procedure overcomes a computational bottleneck of conventional haplotype-oriented multipoint methods in DNA pooling analyses and can handle data sets having a large pool size and/or large numbers of polymorphic markers. All of the PDA functions are illustrated in the four bona fide examples. Conclusion PDA is simple to operate and does not require that users have a strong statistical background. The software is available at http://www.ibms.sinica.edu.tw/%7Ecsjfann/first%20flow/pda.htm.

  2. From Paper to PDA

    DEFF Research Database (Denmark)

    Kanstrup, Anne Marie; Stage, Jan

    2009-01-01

    Mobile devices with small screens and minimal facilities for interaction are increasingly being used in complex human activities for accessing and processing information, while the user is moving. This paper presents a case study of the design and evaluation of a mobile system, which involved...... transformation of complex text and tables to digital format on a PDA. The application domain was an emergency medical ward, and the user group was junior registrars. We designed a PDA-based system for accessing information, focusing on the ward instruction, implemented a prototype and evaluated it for usability...

  3. PDA: Paradigm-Disrupting Appliance?

    Science.gov (United States)

    Cain, Mark

    2003-01-01

    Discusses personal digital assistants (PDAs). Highlights include history and characteristics of PDAs; beyond the "organizer" function and use of PDAs in higher education and academic libraries; problems and possibilities of a wirelessly networked PDA in a library; and the future outlook for PDAs. (AEF)

  4. Bulletin 2 PDA : diploma project

    CERN Document Server

    Stankowski, D; Wagen, J F; Pettenati, Corrado; Le Meur, Jean-Yves; Faggian, R; Vanoirbeek, C

    2002-01-01

    The aim of the project "Bulletin 2 PDA" is to develop an information system, which provides the CERN eBulletin on mobile devices. The main goal is to connect different database outputs, to convert this data into personalized content and then to output it in an appropriate format depending on the connected device. The following paper describes the establishment of the diploma work which is in the context of collaboration with the University of Applied Sciences of Fribourg and the European Organization of Nuclear Research Geneva.

  5. Characterization of the novel indolylmaleimides' PDA-66 and PDA-377 effect on canine lymphoma cells

    Science.gov (United States)

    Schmidt, Laura C.; Roolf, Catrin; Pews-Davtyan, Anahit; Rütgen, Barbara C.; Hammer, Sabine; Willenbrock, Saskia; Sekora, Anett; Rolfs, Arndt; Beller, Matthias; Brenig, Bertram; Nolte, Ingo; Junghanss, Christian

    2016-01-01

    Protein kinase inhibitors are widely used in chemotherapeutic cancer regimens. Maleimide derivatives such as SB-216763 act as GSK-3 inhibitor targeting cell proliferation, cell death and cell cycle progression. Herein, the two arylindolylmaleimide derivatives PDA-66 and PDA-377 were evaluated as potential chemotherapeutic agents on canine B-cell lymphoma cell lines. Canine lymphoma represents a naturally occurring model closely resembling the human high-grade non-Hodgkin's lymphoma (NHL). PDA-66 showed more pronounced effects on both cell lines. Application of 2.5μM PDA-66 resulted in a significant induction of apoptosis (approx. 11 %), decrease of the metabolic activity (approx. 95 %), anti-proliferative effect (approx. 85 %) and cell death within 48h. Agent induced mode of action was characterized by whole transcriptome sequencing, 12 h and 24 h post-agent exposure. Key PDA-66-modulated pathways identified were cell cycle, DNA replication and p53 signaling. Expression analyses indicated that the drug acting mechanism is mediated through DNA replication and cycle arrest involving the spindle assembly checkpoint. In conclusion, both PDA derivatives displayed strong anti-proliferation activity in canine B-cell lymphoma cells. The cell and molecular PDA-induced effect characterization and the molecular characterization of the agent acting mechanism provides the basis for further evaluation of a potential drug for canine lymphoma serving as model for human NHL. PMID:27177088

  6. 31. Left ventricular dysfunction after patent ductus arteriosus (PDA closure

    Directory of Open Access Journals (Sweden)

    Rihab Agouba

    2015-10-01

    Conclusions: Depressed LV-SFx may occur after PDA closure with higher incidence after catheter PDA device occlusion. All of preterm babies had surgical PDA occlusion and none of them presented with depressed LV-SFx in the post-operative follow-up. Further prospective studies are needed to investigate these observations.

  7. Entropy score, patent ductus arteriosus (PDA), and cardiopulmonary bypass (CPB): ligation of PDA on CPB can compromise cerebral blood flow.

    Science.gov (United States)

    Neema, Praveen Kumar; Dharan, Baiju S; Singha, Subrata Kumar; Sethuraman, Manikandan; Rathod, Ramesh Chandra

    2011-01-01

    A patent ductus arteriosus (PDA) is often present in patients undergoing correction of congenital heart disease. It is well appreciated that during cardiopulmonary bypass (CPB), a PDA steals arterial inflow into pulmonary circulation, and may lead to systemic hypoperfusion, excessive pulmonary blood flow (PBF) and distention of the left heart. Therefore, PDA is preferably ligated before initiation of CPB. We describe acute decreases of arterial blood pressure and entropy score with the initiation of CPB and immediate increase in entropy score following the PDA ligation in a child undergoing intracardiac repair of ventricular septal defect and right ventricular infundibular stenosis. The observation strongly indicates that a PDA steals arterial inflow into pulmonary circulation and if the PDA is dissected and ligated on CPB or its ligation on CPB is delayed the cerebral perfusion is potentially compromised.

  8. Personal Digital Assistant (PDA: woher und wohin? / Personal Digital Assistant (PDA: development and prospect

    Directory of Open Access Journals (Sweden)

    Dollfuß, Helmut

    2008-09-01

    Full Text Available This paper describes the development of modern PDAs and traces some historical roots because personal information management is an idea with a long tradition. It was put into practice early in human history based on different materials as data carrier. From wax plates and paper the idea was grafted onto microprocessor powered calculators. Further on the concept was transferred to coat-pocket sized handheld computers. These were called PDAs forming a device class on their own though functions of a PDA are ingreasingly integrated into other mobile devices. Finally the paper discusses the future of PDAs as spearhead of the mobile library. The PDA can be seen as a prophet in this movement followed by a range of new to-be mobile devices. Out of this we can expect to meet an even greater variety of operating systems, display sizes and communication channels in the future. PDA-projects are an ideal way to gain expert knowledge now for a mobile future in library information technology.

  9. Medication error reduction and the use of PDA technology.

    Science.gov (United States)

    Greenfield, Sue

    2007-03-01

    The purpose of this study was to determine whether nursing medication errors could be reduced and nursing care provided more efficiently using personal digital assistant (PDA) technology. The sample for this study consisted of junior and senior undergraduate baccalaureate nursing students. By self-selection of owning a PDA or not, students were placed in the PDA (experimental) group or the textbook (control) group, provided with a case study to read, and asked to answer six questions (i.e., three medication administration calculations and three clinical decisions based on medication administration). The analysis of collected data, calculated using a t test, revealed that the PDA group answered the six questions with greater accuracy and speed than did the textbook group.

  10. Ressourcen für den Personal Digital Assistant (PDA an Bibliotheken / Resources for the Personal Digital Assistant (PDA at libraries

    Directory of Open Access Journals (Sweden)

    Dollfuß, Helmut

    2008-09-01

    Full Text Available Support of PDAs is a matter of course for medical libraries in USA. European medical libraries show interest in this mobile technology but lack knowledge about ways and means to advocate PDA usage. This paper wants to reveal options for offering PDA resources to patrons. Possible ways to foster PDA usage are subsumed in 12 groups along with examples from libraries which published papers about their operating experience with these new technologies. Finally good reasons to start a PDA project and the most appropriate PDA resources and some concerns about PDA usage are listet.

  11. The Twelve Hotel, Barna : Video

    OpenAIRE

    Irish Food Channel

    2014-01-01

    Fergus O'Halloran, Managing Director of The Twelve Hotel in Barna in County Galway, talks about his philosophy in running this unique boutique hotel. Reproduced with kind permission from John & Sally McKenna. 3.35 mins

  12. Chinese Nurses' Acceptance of PDA: A Cross-Sectional Survey Using a Technology Acceptance Model.

    Science.gov (United States)

    Wang, Yanling; Xiao, Qian; Sun, Liu; Wu, Ying

    2016-01-01

    This study explores Chinese nurses' acceptance of PDA, using a questionnaire based on the framework of Technology Acceptance Model (TAM). 357 nurses were involved in the study. The results reveal the scores of the nurses' acceptance of PDA were means 3.18~3.36 in four dimensions. The younger of nurses, the higher nurses' title, the longer previous usage time, the more experienced using PDA, and the more acceptance of PDA. Therefore, the hospital administrators may change strategies to enhance nurses' acceptance of PDA, and promote the wide application of PDA.

  13. Intelligent Assistants in Crisis Management: From PDA to TDA

    NARCIS (Netherlands)

    Diggelen, J. van; Beun, R.J.; Werkhoven, P.J.

    2009-01-01

    This paper discusses a variety of potential applications of intelligent assistants, from personal digital assistant (PDA) to team digital assistant (TDA). We identify two challenges that arise when developing intelligent assistants in crisis management and give an overview of the different technolog

  14. Characterization of the gene encoding pisatin demethylase (FoPDA1) in Fusarium oxysporum.

    Science.gov (United States)

    Coleman, Jeffrey J; Wasmann, Catherine C; Usami, Toshiyuki; White, Gerard J; Temporini, Esteban D; McCluskey, Kevin; VanEtten, Hans D

    2011-12-01

    The pea pathogen Fusarium oxysporum f. sp. pisi is able to detoxify pisatin produced as a defense response by pea, and the gene encoding this detoxification mechanism, FoPDA1, was 82% identical to the cytochrome P450 pisatin demethylase PDA1 gene in Nectria haematococca. A survey of F. oxysporum f. sp. pisi isolates demonstrated that, as in N. haematococca, the PDA gene of F. oxysporum f. sp. pisi is generally located on a small chromosome. In N. haematococca, PDA1 is in a cluster of pea pathogenicity (PEP) genes. Homologs of these PEP genes also were found in the F. oxysporum f. sp. pisi isolates, and PEP1 and PEP5 were sometimes located on the same small chromosomes as the FoPDA1 homologs. Transforming FoPDA1 into a pda(?) F. oxysporum f. sp. lini isolate conferred pda activity and promoted pathogenicity on pea to some transformants. Different hybridization patterns of FoPDA1 were found in F. oxysporum f. sp. pisi but these did not correlate with the races of the fungus, suggesting that races within this forma specialis arose independently of FoPDA1. FoPDA1 also was present in the formae speciales lini, glycines, and dianthi of F. oxysporum but they had mutations resulting in nonfunctional proteins. However, an active FoPDA1 was present in F. oxysporum f. sp. phaseoli and it was virulent on pea. Despite their evolutionary distance, the amino acid sequences of FoPDA1 of F. oxysporum f. sp. pisi and F. oxysporum f. sp. phaseoli revealed only six amino acid differences, consistent with a horizontal gene transfer event accounting for the origin of these genes.

  15. Adaptation of Predictive Models to PDA Hand-Held Devices

    Directory of Open Access Journals (Sweden)

    Lin, Edward J

    2008-01-01

    Full Text Available Prediction models using multiple logistic regression are appearing with increasing frequency in the medical literature. Problems associated with these models include the complexity of computations when applied in their pure form, and lack of availability at the bedside. Personal digital assistant (PDA hand-held devices equipped with spreadsheet software offer the clinician a readily available and easily applied means of applying predictive models at the bedside. The purposes of this article are to briefly review regression as a means of creating predictive models and to describe a method of choosing and adapting logistic regression models to emergency department (ED clinical practice.

  16. PDA Single-Use Systems Cross-Organizational Workshop-Meeting Summary, May 14, 2014-PDA Global Headquarters, Bethesda, MD.

    Science.gov (United States)

    Repetto, Robert; Levy, Richard

    2015-01-01

    The application of single-use systems, or disposables, has increased dramatically in the past 10 years. Although some elements of the pharmaceutical and biotech manufacturing process were single-use and therefore disposable and not reused, the majority of the process equipment and fluid path was cleaned and reused by end users. Today, much more of the manufacturing process is composed of single-use systems, and there are some biotech plants that use single-use systems exclusively. Because of this increasing reliance on suppliers, there is an urgent need for more formal standards specifically for single-use system technology. The objective of this PDA-sponsored workshop held on May 14, 2014 was twofold: (1) to promote a harmonized approach to supporting single-use system activities within the industry and in so doing to minimize duplication of efforts, and (2) to communicate ongoing single-use system initiatives among the group. Representatives of ASME, ASTM, BPOG, BPSA, ELSIE, PDA, PQRI, and USP, as well as representatives of CBER and CDER of FDA, attended. Today, the majority of pharmaceutical and biotech drug manufacturing equipment is cleaned and reused. However, in the past 10 years, the use of disposable manufacturing systems has increased dramatically; there are even some biotech-derived drugs that are manufactured entirely using single-use technology. This movement toward disposables has placed increased reliance on disposable equipment suppliers, each of which manufactures its products independently to meet customer needs. This fact has led to non-uniformity in design for connectors and similar sub-processes, and has made the need for more formal industry standards. The objective of this PDA-sponsored workshop held on May 14, 2014 was twofold: (1) to promote a harmonized approach to supporting single-use system projects within the industry and in so doing to minimize duplication of efforts, and (2) to communicate ongoing single-use system initiatives among

  17. Electronic relaxation dynamics of PCDA-PDA studied by transient absorption spectroscopy.

    Science.gov (United States)

    Joung, Joonyoung F; Baek, Junwoo; Kim, Youngseo; Lee, Songyi; Kim, Myung Hwa; Yoon, Juyoung; Park, Sungnam

    2016-08-17

    Photo-curable polymers originating from 10,12-pentacosadiynoic acid (PCDA-PDA) are commonly used polydiacetylenes (PDAs). PCDA-PDA exhibits thermochromic properties undergoing a unique colorimetric transition from blue to red as the temperature is increased from low to high. In this work, we have carefully studied the temperature-dependent optical properties of PCDA-PDA by using UV-visible absorption, FTIR, Raman, and transient absorption (TA) spectroscopy in combination with quantum chemical calculations. Temperature-dependent UV-visible absorption spectra indicate that PCDA-PDA exhibits reversible thermochromic properties up to 60 °C and its thermochromic properties become irreversible above 60 °C. Such distinct thermochromic properties are also manifested in TA signals so that the electronically excited PCDA-PDA relaxes to the ground state via an intermediate state at 20 °C (blue form) but it relaxes directly back to the ground state at 80 °C (red form). The electronic relaxation dynamics of PCDA-PDA are comprehensively analyzed based on different kinetic models by using the global fitting analysis method. The intermediate state in the blue form of PCDA-PDA is clearly found to be responsible for fluorescence quenching. FTIR and Raman spectroscopy and quantum chemical calculations confirm that the H-bonds between the carboxylic acid groups in PCDA-PDA are broken at high temperatures leading to an irreversible structural change of PCDA-PDA.

  18. Transanal rectopexy - twelve case studies

    Directory of Open Access Journals (Sweden)

    Rubens Henrique Oleques Fernandes

    2012-06-01

    Full Text Available OBJECTIVES: This study analyzed the results of transanal rectopexy and showed the benefits of this surgical technique. METHOD: Twelve patients were submitted to rectopexy between 1997 and 2011. The surgical technique used was transanal rectopexy, where the mesorectum was fixed to the sacrum with nonabsorbable suture. Three patients had been submitted to previous surgery, two by the Delorme technique and one by the Thiersch technique. RESULTS: Postoperative hospital stay ranged from 1 to 4 days. One patient (8.3% had intraoperative hematoma, which was treated with local compression and antibiotics. One patient (8.3% had residual mucosal prolapse, which was resected. Prolapse recurrence was seen in one case (8.3%. Improved incontinence occurred in 75% of patients and one patient reported obstructed evacuation in the first month after surgery. No death occurred. CONCLUSION: Transanal rectopexy is a simple, low cost technique, which has shown good efficacy in rectal prolapse control.OBJETIVO: O presente estudo analisou os resultados da retopexia pela via transanal e expôs os benefícios desta técnica cirúrgica. MÉTODO: Doze pacientes com prolapso foram operados no período de 1997 a 2011. A técnica cirúrgica usada foi a retopexia transanal, onde o mesorreto foi fixado ao sacro com fio inabsorvível. Três pacientes tinham cirurgia prévia, dois pela técnica de Delorme e um pela técnica de Thiersch. RESULTADOS: A permanência hospitalar pós-operatória variou de 1- 4 dias. Uma paciente (8,3% apresentou hematoma transoperatório que foi tratado com compressão local e antibioticoterapia. Um paciente apresentou prolapso mucoso residual (8,3%, que foi ressecado. Houve recidiva da procidência em um caso (8,3%. A melhora da incontinência ocorreu em 75% dos pacientes e uma paciente apresentou bloqueio evacuatório no primeiro mês após a cirurgia. Não houve mortalidade entre os pacientes operados. CONCLUSÃO: A retopexia transanal é uma t

  19. Microbead-assisted PDA sensor for the detection of genetically modified organisms.

    Science.gov (United States)

    Lim, Min-Cheol; Shin, Yeo-Jae; Jeon, Tae-Joon; Kim, Hae-Yeong; Kim, Young-Rok

    2011-05-01

    A simple and sensitive approach for the detection of marker protein, phosphinothricin acetyltransferase, from genetically modified crops was developed based on the colorimetric transition of polydiacetylene (PDA) vesicles in combination with silica microbeads. PDAs have attracted a great deal of interests as a transducing material due to their special features that allow colorimetric response to sensory signals, as well as their inherent simplicity. However, most PDA-based biosensors require additional analytical equipment such as a fluorescence microscope or UV-Vis spectrometer. In this study, we report a new approach to increase the degree of color transition by coupling antibody-conjugated PDA vesicles with silica microbeads in an effort to monitor the results with the unaided eye or simple RGB analysis. By immobilizing PDA vesicles on silica microbeads, we were able to overcome the disadvantages of colloidal PDA-based sensors and increase the degree of colorimetric changes in response to target molecules to a concentration as low as 20 nM. The additional stresses were given to PDA vesicles by antigen-antibody bridging of PDA vesicles coupled with microbeads, resulting in enhanced blue-red color transition. All the results showed that PDA vesicles in conjunction with silica microbeads will be a promising transducing material for the detection of target proteins in diagnostic and biosensing applications.

  20. A PDA platform for offline processing and streaming of stimuli for cochlear implant research.

    Science.gov (United States)

    Ali, Hussnain; Lobo, Arthur P; Loizou, Philipos C

    2011-01-01

    A PDA-based research platform has been developed for implementing novel speech processing strategies and conducting psychophysical experiments with cochlear implant (CI) research that do not necessarily require real-time processing. The developed interface streams stimuli pulses to a CI unit in an offline mode from a Personal Computer via PDA platform using Windows Sockets (WINSOCK). Front-end of the application is run in MATLAB where stimuli pulses are created. Winsock establishes a TCP/IP connection with the PDA and starts the transmission of stimuli data. Server application installed on the PDA reads the stimulation data and forwards it to the SDIO board in packets where it is forwarded to the cochlear implant unit and pulses are then played in realtime. Versatility and flexibility are the key characteristics of the platform for easy implementation and testing of a wide range of applications and experiments without advanced programming skills.

  1. Ka Band Parabolic Deployable Antenna (KaPDA) for Interplanetary CubeSat Communications Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Ka Band Parabolic Deployable Antenna (KaPDA) for Interplanetary CubeSat Communications allowing moving up from UHF, S or X to get higher gain for a given diameter.

  2. Parameter für die Budgetierung von Patron-Driven Acquisition (PDA

    Directory of Open Access Journals (Sweden)

    Martin Hermann

    2012-10-01

    Full Text Available Patron-Driven Acquisition (PDA, die kundengesteuerte E-Book-Erwerbung, erfreut sich in den letzten Jahren an Bibliotheken im In- und Ausland immer größerer Beliebtheit. Trotz der offensichtlichen Vorteile der kundenorientierten E-Book-Erwerbung zögern heute immer noch viele wissenschaftliche Bibliotheken in Deutschland, PDA in ihre Erwerbungsstrategie aufzunehmen. Die größte Sorge stellt dabei die vorzeitige Erschöpfung bzw. die Überziehung des zur Verfügung stehenden Budgets dar. Der Artikel geht von der Grundannahme aus, dass eine vorausschauende, angemessene Budgetierung möglich ist und sie einer der wichtigsten Gesichtspunkte bei der Einführung von PDA ist. Zunächst wird die Funktionsweise von PDA zusammenfassend vorgestellt und ein knapper Überblick über die üblicherweise gehandelten Vorteile und Ängste gegeben. Danach beschäftigt sich der Beitrag ausführlich mit den Parametern, deren Berücksichtigung für einen sinnvollen Einsatz und die richtige Budgetierung von PDA wesentlich sind. Hierbei wird insbesondere auf Erfahrungswerte und Studien aus dem Ausland verwiesen. Auf dieser Grundlage setzt sich der Artikel zum Schluss kurz mit budgetrelevanten Sachverhalten der PDA-Projekte an den Bibliotheken in Bielefeld, Dresden und Mannheim auseinander.

  3. Novel use of the medtronic micro vascular plug for PDA closure in preterm infants.

    Science.gov (United States)

    Wang-Giuffre, Elizabeth W; Breinholt, John P

    2017-05-01

    To describe a single institution experience with a new endovascular occlusion device used for transcatheter patent ductus arteriosus (PDA) closure in preterm infants. The PDA is a defect largely treated via cardiac catheterization except for the smallest patients. Medical records and catheterization reports of all premature neonates who underwent PDA device closure with the Medtronic Micro Vascular Plug (MVP) (Medtronic, Minneapolis, MN) between September 2015 and June 2016 were reviewed. Procedural details, complications, and short term outcomes were recorded. Eight premature neonates born at a median gestational age of 28 weeks (23 to 35 weeks) underwent PDA closure with a Medtronic MVP. All devices were deployed via a 4F angled Glide catheter in prograde fashion without arterial access. Median age and weight was 52 days (15-112 days) and 2,550 g (1,800-3,500 g), respectively. Fluoroscopy and echocardiography were utilized for the procedure. Complete closure was achieved in all patients with no procedural complications, pulmonary artery or aortic obstruction or death. One device embolized 9 days after deployment and was successfully retrieved. This study describes transcatheter PDA closure with the Medtronic MVP. The major advantage is the ability to deliver the device via a standard catheter in prograde fashion, and avoid the hemodynamic instability produced by rigid delivery sheaths. It also further validates the ability to close the PDA without arterial access, providing improved access to this procedure to smaller and more vulnerable children. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  4. Mythematics Solving the Twelve Labors of Hercules

    CERN Document Server

    Huber, Michael

    2009-01-01

    How might Hercules, the most famous of the Greek heroes, have used mathematics to complete his astonishing Twelve Labors? From conquering the Nemean Lion and cleaning out the Augean Stables, to capturing the Erymanthean Boar and entering the Underworld to defeat the three-headed dog Cerberus, Hercules and his legend are the inspiration for this book of fun and original math puzzles. While Hercules relied on superhuman strength to accomplish the Twelve Labors, Mythematics shows how math could have helped during his quest. How does Hercules defeat the Lernean Hydra and stop its heads from multip

  5. 54. Radiofrequency perforation of pulmonary valve and PDA stenting in a preterm neonate

    Directory of Open Access Journals (Sweden)

    D. Khaymaf

    2016-07-01

    Full Text Available Transcatheter radiofrequency perforation of the pulmonary valve and PDA stenting is considered as a modality for pulmonary atresia and intact ventricular septum with mildly hypoplastic tripartate right ventricle. We present a preterm neonate who has undergone this procedure. we assume that transcatheter radiofrequency perforation of pulmonary valve and PDA stenting is a safer approach for pulmonary atresia with intact ventricular septum in preterm newborns, than surgical approach.We present 5 days old, preterm (36 weeks gestation baby girl, with 2.2 kg. She was reffered to our centre with the diagnosis of pulmonary atresia with intact ventricular septum, mildly hypoplastic tripartate right ventricle. Right ventricle angiography showed tripartate right ventricle with no sinusoids. She underwent successful radiofrequency perforation of pulmonary valve followed by balloon dilatation. At the same time prograde PDA stenting was done. Repeat right ventricle angiography showed good right ventricular outflow tract forward flow, and descending aorta angiography showed good PDA flow supplying both pulmonary arteries. The baby was extubated on same day, and prosoglandin E1 was discontinued immediately after the procedure.The baby mainatined saturation more than 80% on room air. The baby was discharged after 2 days. Our case is pecular because to our knowledge this is the lowest weight for wich radiofrequency perforation and PDA stenting is done as well as being preterm.

  6. Comparative analysis of twelve Dothideomycete plant pathogens

    Energy Technology Data Exchange (ETDEWEB)

    Ohm, Robin; Aerts, Andrea; Salamov, Asaf; Goodwin, Stephen B.; Grigoriev, Igor

    2011-03-11

    The Dothideomycetes are one of the largest and most diverse groups of fungi. Many are plant pathogens and pose a serious threat to agricultural crops grown for biofuel, food or feed. Most Dothideomycetes have only a single host and related Dothideomycete species can have very diverse host plants. Twelve Dothideomycete genomes have currently been sequenced by the Joint Genome Institute and other sequencing centers. They can be accessed via Mycocosm which has tools for comparative analysis

  7. Preparation and antibacterial activity of copper and cobalt complexes of 4-chloro-3-nitrobenzoate with a nitrogen donor ligand.

    Science.gov (United States)

    Kabbani, Ahmad Toufic; Hammud, Hassan Hasan; Ghannoum, Amer Mohammed

    2007-03-01

    Copper and cobalt complexes with 4-chloro-3-nitrobenzoate (ClNBz) and the nitrogen ligands 1,3-diaminopropane (1,3-DAP) or o-phenylenediamine (o-PDA), were prepared and characterized. The complexes [Cu(ClNBz)2(1,3-DAP)] (1), [Cu(ClNBz)(o-PDA)]Cl (2), [Co(ClNBz)2(1,3-DAP)] (3) and [Co(ClNBz)2(o-PDA)2] (4) were characterized by FTIR, UV-Visible absorption, elemental analysis and thermal analysis. Complex [Cu(ClNBz)(o-PDA)]Cl (2) shows high antibacterial activity as indicated by its ability to inhibit the growth of Staphylococcus aureus, Enterococcus faecalis.

  8. Application of PDA forest fire monitoring based on web service technology

    Institute of Scientific and Technical Information of China (English)

    Yufei ZHOU; Pengju LIU; Xiaoming TANG

    2009-01-01

    The difficulty in information communication and sharing are major problems for forest fire monitoring and early warning in China. As authors, we applied web service technology to a personal digital assistant (PDA) forest fire monitoring system and propose the framework of a monitoring system based on service-oriented architecture (SOA). At the same time, we describe the composition and function of web services from a server side and a client side. The method for developing a web service invocation engine on the PDA is introduced in detail. Finally, an example of a fire danger rating and fire weather services system are established, based on the Beijing Forest Fire Control System. The results show that the PDA forest fire monitoring system based on web services can effectively take advantage of the existing fire protection decision information services, realize real-time information interaction and sharing, and improve the level of forest fire monitoring.

  9. Examining the Factors Affecting PDA Acceptance among Physicians: An Extended Technology Acceptance Model.

    Science.gov (United States)

    Basak, Ecem; Gumussoy, Cigdem Altin; Calisir, Fethi

    2015-01-01

    This study aims at identifying the factors affecting the intention to use personal digital assistant (PDA) technology among physicians in Turkey using an extended Technology Acceptance Model (TAM). A structural equation-modeling approach was used to identify the variables that significantly affect the intention to use PDA technology. The data were collected from 339 physicians in Turkey. Results indicated that 71% of the physicians' intention to use PDA technology is explained by perceived usefulness and perceived ease of use. On comparing both, the perceived ease of use has the strongest effect, whereas the effect of perceived enjoyment on behavioral intention to use is found to be insignificant. This study concludes with the recommendations for managers and possible future research.

  10. 16. Optimal guidance of percutaneous device closure of PDA by transthoracic echocardiography

    Directory of Open Access Journals (Sweden)

    M. Alobaidan

    2016-07-01

    Full Text Available Patent ductus arteriosus (PDA is common congenital cardiac lesion and the most accepted way of management is transcatheter occlusion by device which is usually done under fluoroscopy guidance. Transoesophageal echo cardiography and transaortic imaging were used in adult to guide the procedure which is with certain applications in pediatric age group transthoracic echocardiography (TTE in pediatric population provides excellent images for PDA and may replace the use of fluoroscopy to guide PDA closure at least in special situations. To highlight the feasibility of device closure under guidance of TTE to be applied in sick patients who are not suitable for transfer to cardiac catheter laboratory or those with contraindication to contrast and or radiation application. 18 patients from July 2013 to May 2015 underwent TTE guidance device closure of PDA, 1 patient was excluded after device embolization which necessitate retrieval under fluoroscopy (fluoro.. Conscious sedation was used in 17 patients except 1 who was sick and already ventilated in ICU, there were 11 female and 7 male, antegrade approach was used in 10 patients with partial fluoro and retrograde approach in 8 patients without fluoro. Median age is 7 months, median weight is 8 kg (3.2–11 kg, 2 patients with renal impairment, 2 with Leukemia, median procedure time is 35 min, median fluoro. is 2.2 min, PDA size were small in 13 patients and moderate in 5, immediate closure is achieved in all. The devices were ADOI, ADOS, ADOII, Occlutech, and AVP2. Device embolization in 1 with successful retrieval and second device was used with complete closure percutaneous PDA closure under TTE guidance is feasible, safe and recommended in selected patients with certain situation.

  11. REVERSE PDA – LESS COMMON TYPE OF PATENT DUCTUS ARTERIOSUS -CASE REPORT

    Directory of Open Access Journals (Sweden)

    Iuliu Scurtu

    2016-11-01

    Full Text Available Introduction: PDA represents one of the most frequently diagnosed type of congenital heart disease. Ductus arteriosus is a normal structure in foetal life, which permits shunting of oxygenated blood from the pulmonary artery into the aorta. Failure of sealing after birth is an abnormal condition and is called patent ductus arteriosus. In normal PDA, due to fact that systemic pressure is fivefold higher than pulmonary circulation, blood is shunted from the aorta into the pulmonary artery. In reverse PDA, pulmonary artery pressure does not drop after birth, and blood will be shunted form right to left. Aims: We want to evaluate clinical, haematological, ECG and echocardiographic changes in case of reverse PDA. Materials and Methods: Two-year old female Bichon Frise was referred to our clinic with signs of effort intolerance and dyspnoea for more than a year. ECG was performed in the right lateral recumbency using a digital device and echocardiography was done with Esaote MyLab40 Vet with a phased array transducer matched with the size of the dog (7.5 MHz. Results: We identified a dog with a good body score, quite alert and without any sign of illness. Haematological investigation underlined polycythaemia and very high PCV. The ECG revealed a normal sinus rhythm with a deep S wave, changes consistent with right ventricle enlargement.  Right atrial dilation and right ventricle hypertrophy were found on cardiac ultrasonography. The right ventricle free wall was hypertrophied and interventricular septum was flattened, changes consistent with increased pressure on the right side of the heart. The left heart was small. Positive diagnosis was done, performing “bubble study” and identification of contrast bubble within the abdominal aorta.   Conclusion: Reverse PDA is a rarely diagnosed congenital heart disease. Polycythaemia in young dogs could raise the suspicion of reverse PDA.  For positive diagnosis, echocardiography and bubble study are

  12. Synthesis and Crystal Structure of a New Zn(II) Nitronyl Nitroxide Complex [Zn(NIT4Py)(PDA)(H2O)3

    Institute of Scientific and Technical Information of China (English)

    GAO Dong-Zhao; WANG Shu-Ping; CHEN Jin; LI Li-Cun; LIAO Dai-Zheng; JIANG Zong-Hui; YAN Shi-Ping

    2006-01-01

    A new Zn(II) nitronyl nitroxide complex [Zn(NIT4Py)(PDA)(H2O)3] (NIT4Py = 2-(4'-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide, H2PDA = pyridine-2,5-dicarboxylic acid) has been synthesized and structurally characterized by X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 16.881(8), b = 7.356(4), c = 18.857(9)(A), β= 108.616(6)°, V = 2219.1(19)(A)3, C19H25N4O9Zn, Mr = 518.80, Dc = 1.553 g/cm3, μ(MoKα) = 1.165 mm-1, F(000) = 1076, Z = 4, the final R = 0.0269 and wR = 0.0715 for 3193 observed reflections with I > 2σ(I). The complex exists as discrete mononuclear molecules and the zinc(II) ion is six-coordinated with one radical ligand (NIT4Py), one bidentate pyridine-2,5-dicarboxylate anion and three water molecules. A three-dimensional network structure is formed through the intermolecular interactions.

  13. Twelve tips for peer observation of teaching.

    Science.gov (United States)

    Siddiqui, Zarrin Seema; Jonas-Dwyer, Diana; Carr, Sandra E

    2007-05-01

    This paper outlines twelve tips for undertaking peer observation of teaching in medical education, using the peer review model and the experiences of the authors. An accurate understanding of teaching effectiveness is required by individuals, medical schools, and universities to evaluate the learning environment and to substantiate academic and institutional performance. Peer Observation of Teaching is one tool that provides rich, qualitative evidence for teachers, quite different from closed-ended student evaluations. When Peer Observation of Teaching is incorporated into university practice and culture, and is conducted in a mutually respectful and supportive way, it has the potential to facilitate reflective change and growth for teachers.

  14. Aptamer biosensors for label-free colorimetric detection of human IgE based on polydiacetylene (PDA) supramolecules.

    Science.gov (United States)

    Kim, Jun Pyo; Park, Cheol Hee; Sim, Sang Jun

    2011-05-01

    In this study, we demonstrate an aptamer-based biosensor (apta-biosensor) using PDA liposomes for label-free detection of allergy diagnosis by hIgE detection. In order to detect the target hIgE, the surface of PDA liposome were functionalized with hIgE antibody and anti-hIgE aptamer as a receptor, and the target hIgE onto the receptors was detected by the change of fluorescence signal. The hIgE antibody-modified PDA liposome biosensor had a serious problem that the immune reaction between receptor and target could not powerfully affect the change of florescence signal on PDA liposome. In order to solve this problem, the anti-hIgE aptamer which was far smaller than whole antibody was introduced as the receptor for the PDA liposome system. An aptamer-based PDA liposome biosensor was able to measure a quantity of target protein with various concentrations and at this time the detection limit was 141 ng/mL of the hIgE concentration. These results enabled diagnosis of allergy disease by an aptamer-based PDA liposome biosensor because real allergic patients showed high concentration of hIgE in serum (greater than 290 ng/mL). Therefore, we suggest that aptamer-modified PDA supramolecules as promising candidates for development of label-free colorimetric biosensors.

  15. Comparing Multitarget Multisensor ML-PMHT with ML-PDA for VLO Targets

    Science.gov (United States)

    2013-07-01

    closely spaced with similar motion dynamics. Keywords: ML-PDA, ML-PMHT, multitarget ML-PMHT, maximum likelihood, multistatic, bistatic , sonar, tracking...motion dynamics. 15. SUBJECT TERMS 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT Same as Report ( SAR ) 18. NUMBER OF PAGES 8 19a

  16. Epidemiology, presentation and population genetics of patent ductus arteriosus (PDA) in the Dutch Stabyhoun dog

    NARCIS (Netherlands)

    Toom, den Marjolein L.; Meiling, Agnes E.; Thomas, Rachel E.; Leegwater, Peter A.J.; Heuven, Henri C.M.

    2016-01-01

    Background: Patent ductus arteriosus (PDA) is one of the most common congenital heart defects in dogs and is considered to be a complex, polygenic threshold trait for which a female sex predisposition has been described. Histological studies in dogs suggest that smooth muscle hypoplasia and asymm

  17. ANESTHESIA MANAGEMENT OF 775 GRAMS PREMATURE PATIENT DURING PDA LIGATION-A CASE REPORT

    Directory of Open Access Journals (Sweden)

    Gulsen KESKiN

    2016-03-01

    We believe that VLBW preterm infants by having multiple system failure may have PDA ligation in operating room if there is no optimum conditions in ICU by obtaining safe transport, performing ketamine in anesthesia induction and maintenance. [J Contemp Med 2016; 6(1.000: 47-50

  18. LC-PDA-EIS/MSn identification of new anthocyanins in purple radish (Raphanus sativus L. variety)

    Science.gov (United States)

    An LC-PDA-ESI/MSn profiling method was used for a comprehensive study of the anthocyanins of purple Bordeaux radish. This study identified 57 anthocyanins: 23 acylated cyanidin 3-sophoroside-5-diglucosides, 12 acylated cyanidin 3-(glucosylacyl) acylsophoroside-5-diglucosides, and 22 acylated cyanid...

  19. The development of intelligent, triage-based, mass-gathering emergency medical service PDA support systems.

    Science.gov (United States)

    Chang, Polun; Hsu, Yueh-Shuang; Tzeng, Yuann-Meei; Sang, Yiing-Yiing; Hou, I-Ching; Kao, Wei-Fong

    2004-09-01

    The support systems for the Emergency Medical Services (EMS) at mass gatherings, such as the local marathon or large international baseball games, are underdeveloped. The purposes of this study were to extend well-developed, triage-based, EMS Personal Digital Assistant (PDA) support systems to cover pre-hospital emergency medical services and onsite evaluation forms for the mass gatherings, and to evaluate users ' perceived ease of use and usefulness of the systems in terms of Davis ' Technology Acceptance Model (TAM). The systems were developed based on an established intelligent triage PDA support system and two other forms the general EMS form from the Taipei EMT and the customer-made Mass Gathering Medical form used by a medical center. Twenty-three nurses and six physicians in the medical center, who had served at mass gatherings, were invited to examine the new systems and answer the TAM questionnaire. The PDA systems were composed of 450 information items within 42 screens in 6 categories. The results supported the potential for using triage-based PDA systems at mass gatherings. Overall, most of the subjects agreed that the systems were easy to use and useful for mass gatherings, and they were willing to accept the systems.

  20. The Interaction of the Polyimide Precursors PMDA and m-PDA with Ni(110). Revision

    Science.gov (United States)

    1989-09-29

    fixed monochromator and rotatable analyser, both of the hemispherical deflector type, fitted with four element lenses [11]. Surface cleanliness was...scattering geometry. Surface cleanliness was monitored using XPS. The PMIDA (Aldrich, zone-refined, > 99% purity) and m-PDA (Aldrich, zone-refined

  1. Library Catalog Log Analysis in E-Book Patron-Driven Acquisitions (PDA): A Case Study

    Science.gov (United States)

    Urbano, Cristóbal; Zhang, Yin; Downey, Kay; Klingler, Thomas

    2015-01-01

    Patron-Driven Acquisitions (PDA) is a new model used for e-book acquisition by academic libraries. A key component of this model is to make records of ebooks available in a library catalog and let actual patron usage decide whether or not an item is purchased. However, there has been a lack of research examining the role of the library catalog as…

  2. Innovations from the Integrated Family Planning and Parasite Control Project: PDA experience.

    Science.gov (United States)

    Phawaphutanond, P

    1990-04-01

    Since 1976, the Integrated Family Planning and Parasite Control (IP) has been conducted by the Population and Community Development Association (PDA) through the financial support of the Japanese Organization for International Cooperation in Family Planning (JOICFP). Family planning was integrated with other activities starting with parasite control and then environmental sanitation. In 1976, PDAs activities were focused on a community-based delivery (CBD) system for contraception in rural Thailand. In the IPs first years, the PDA conducted mass treatment campaigns using both the local plant "maklua" and modern medicines. Various motivational activities were included, such as letting children see the parasites under a microscope. Many villagers showed up for treatment. Later, however, they were reinfected and failed to get further treatment. Since 1981, the major emphasis of the IP rural program has been to push building of latrines and improved water resources. PDA has started a major project for safe storage of rainwater. Some 11,300 liter bamboo-reinforced concrete rainwater storage tanks are being built in northeast Thailand. Giant water jars for rainwater catchment with a 2000-liter capacity are produced. The financing of PDAs environmental sanitation construction activities is unique. Villagers pay back the cost of the raw materials of the tank, latrine, or jar they received. Repayments go into a revolving fund which can be lent to other families. Peer pressure has made repayment levels approach or exceed 100% in target districts. Villagers are trained to produce the casings, bricks, and other things needed for building. Individuals from building crews are selected and given special training in construction techniques and are taught the potential health benefits of each activity. These people become village sanitation engineers. Villagers can engage in income-generating activities and receive technical assistance from the PDA. The IP has taken on a community

  3. Wireless remote control clinical image workflow: utilizing a PDA for offsite distribution

    Science.gov (United States)

    Liu, Brent J.; Documet, Luis; Documet, Jorge; Huang, H. K.; Muldoon, Jean

    2004-04-01

    Last year we presented in RSNA an application to perform wireless remote control of PACS image distribution utilizing a handheld device such as a Personal Digital Assistant (PDA). This paper describes the clinical experiences including workflow scenarios of implementing the PDA application to route exams from the clinical PACS archive server to various locations for offsite distribution of clinical PACS exams. By utilizing this remote control application, radiologists can manage image workflow distribution with a single wireless handheld device without impacting their clinical workflow on diagnostic PACS workstations. A PDA application was designed and developed to perform DICOM Query and C-Move requests by a physician from a clinical PACS Archive to a CD-burning device for automatic burning of PACS data for the distribution to offsite. In addition, it was also used for convenient routing of historical PACS exams to the local web server, local workstations, and teleradiology systems. The application was evaluated by radiologists as well as other clinical staff who need to distribute PACS exams to offsite referring physician"s offices and offsite radiologists. An application for image workflow management utilizing wireless technology was implemented in a clinical environment and evaluated. A PDA application was successfully utilized to perform DICOM Query and C-Move requests from the clinical PACS archive to various offsite exam distribution devices. Clinical staff can utilize the PDA to manage image workflow and PACS exam distribution conveniently for offsite consultations by referring physicians and radiologists. This solution allows the radiologist to expand their effectiveness in health care delivery both within the radiology department as well as offisite by improving their clinical workflow.

  4. Combining ability of twelve maize populations

    Directory of Open Access Journals (Sweden)

    Vacaro Elton

    2002-01-01

    Full Text Available Genetic progress depends on germplasm quality and breeding methods. Twelve maize populations and their crosses were evaluated to estimate combining ability and potential to be included as source populations in breeding programs. Plant height, point of insertion of the first ear, number of ears per plant, number of grains per ear, root and stalk lodging and grain yield were studied in two locations in Brazil, during the 1997/98 season. Genotype sum of squares was divided into general (GCA and specific (SCA combining ability. Results indicated the existence of genetic divergence for all traits analyzed, where additive effects were predominant. The high heterosis levels observed, mainly in Xanxerê, suggested the environmental influence on the manifestation of this genetic phenomenon. Populations revealed potential to be used in breeding programs; however, those more intensively submitted to selection could provide larger genetic progress, showing the importance of population improvement for the increment of the heterosis in maize.

  5. Nanoscale Polydopamine (PDA) Meets π-π Interactions: An Interface-Directed Coassembly Approach for Mesoporous Nanoparticles.

    Science.gov (United States)

    Chen, Feng; Xing, Yuxin; Wang, Zhenqiang; Zheng, Xianying; Zhang, Jixi; Cai, Kaiyong

    2016-11-22

    Well known for the adhesive property, mussel-inspired polydopamine (PDA) has been shown to enhance performance in a wide range of adsorption-based applications. However, imparting porous nanostructures to PDA materials for enhanced loading capacities has not been demonstrated even when surfactants were present in the synthesis. Herein, we report on the preparation of mesoporous PDA particles (MPDA) based on the assembly of primary PDA particles and Pluronic F127 stabilized emulsion droplets on water/1,3,5-trimethylbenzene (TMB) interfaces. The key to the formation of this new type of the MPDA structure is the full utilization of the π-π stacking interactions between PDA structures and the π-electron-rich TMB molecules. Remarkably, this method presents a facile approach for MPDA particles with an average diameter of ∼90 nm, slit-like pores with a peak size of ∼5.0 nm as well as hollow cavities. When used as the adsorbent for a model dye RhB, the MPDA particles achieved an ultrahigh RhB adsorption capacity of 1100 μg mg(-1), which is significantly higher than that for the PDA-reactive dyes with Eschenmoser structure. Moreover, it was demonstrated that the cavity space in MPDA can facilitate high volumetric uptake in a capillary filling/stacking manner via the π-π interactions. These developments pave a new avenue on the mechanism and the designed synthesis of functional PDA materials by organic-organic composite assembly for advanced adsorption applications.

  6. An electronic system (PDA to record dietary and physical activity in obese adolescents: data about efficiency and feasibility

    Directory of Open Access Journals (Sweden)

    Elia Oliver

    2013-12-01

    Full Text Available Introduction: Recently, the prevalence of childhood obesity is increasing significantly. Dietary and physical activity registers are frequently referred to as the "cornerstone" of behavioral weight control programs. Mobile devices such as Personal Digital Assistants (PDAs are showing their usefulness to facilitate these self-registers. Objective: This study is aimed to analyze and compare the efficiency and feasibility of a PDA and Paper and Pencil (P&P registers to record dietary and physical activity in a sample of Spanish adolescents with overweight. Methods: Sample was composed by 30 overweight participants aged 9-15 years seeking for obesity treatment. This is a counterbalance study, all participants completing both experimental conditions: PDA and P&P registers. Results: For dietary records, participants filled out more records using P&P than PDA when "total" number of self-registers was considered, but when "complete" records were taken into account, these differences disappeared, and when percentages of "complete" records were analyzed, PDA produced more accurate registers than P&P. For physical activity, PDA produced more records than P&P. PDA was the preferred system. According to participants, the PDA s strengths are the comfort, easiness to use and to transport. Conclusions: Results showed that P&P produced more incomplete dietary records than PDA. PDA is a reliable system that allows the clinician to be confident in the data recorded. Recently, several applications for mobile devices have been developed, but there are few studies supporting evidence of their efficacy and feasibility in assessment and treatment of childhood obesity. This study tries to provide some evidence in this field.

  7. Gas Transport Properties of Polybenzimidazole and Poly(Phenylene Oxide) Mixed Matrix Membranes Incorporated with PDA-Functionalised Titanate Nanotubes

    Science.gov (United States)

    Giel, V.; Perchacz, M.; Kredatusová, J.; Pientka, Z.

    2017-01-01

    Functionalised titanate nanotubes (TiNTs) were incorporated to poly(5,5-bisbenzimidazole-2,2-diyl-1,3-phenylene) (PBI) or poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) for improving the interfacial compatibility between the polymer matrix and inorganic material and for altering the gas separation performance of the neat polymer membranes. Functionalisation consisted in oxidative polymerisation of dopamine-hydrochloride on the surface of non-functionalised TiNTs. Transmission electron microscopy (TEM) confirmed that a thin polydopamine (PDA) layer was created on the surface of TiNTs. 1.5, 3, 6, and 9 wt.% of PDA-functionalised TiNTs (PDA-TiNTs) were dispersed to each type of polymer matrix to create so-called mixed matrix membranes (MMMs). Infrared spectroscopy confirmed that -OH and -NH groups exist on the surface of PDA-TiNTs and that the nanotubes interact via H-bonding with PBI but not with PPO. The distribution of PDA-TiNTs in the MMMs was to some extent uniform as scanning electron microscope (SEM) studies showed. Beyond, PDA-TiNTs exhibit positive effect on gas transport properties, resulting in increased selectivities of MMMs. The addition of nanotubes caused a decrease in permeabilities but an increase in selectivities. It is shown that 9 wt.% of PDA-TiNTs in PBI gave a rise to CO2/N2 and CO2/CH4 selectivities of 112 and 63 %, respectively. In case of PPO-PDA-TiNT MMMs, CO2/N2 and CO2/CH4 selectivity increased about 25 and 17 %, respectively. Sorption measurement showed that the presence of PDA-TiNTs in PBI caused an increase in CO2 sorption, whereas the influence on other gases is less noticeable.

  8. Twelve tips for getting your manuscript published.

    Science.gov (United States)

    Cook, David A

    2016-01-01

    The author shares twelve practical tips on how to navigate the process of getting a manuscript published. These tips, which apply to all fields of academic writing, advise that during the initial preparation phase authors should: (1) plan early to get it out the door; (2) address authorship and writing group expectations up front; (3) maintain control of the writing; (4) ensure complete reporting; (5) use electronic reference management software; (6) polish carefully before they submit; (7) select the right journal; and (8) follow journal instructions precisely. Rejection after the first submission is likely, and when this occurs authors should (9) get it back out the door quickly, but first (10) take seriously all reviewer and editor suggestions. Finally, when the invitation comes to revise and resubmit, authors should (11) respond carefully to every reviewer suggestion, even if they disagree, and (12) get input from others as they revise. The author also shares detailed suggestions on the creation of effective tables and figures, and on how to respond to reviewer critiques.

  9. Antifouling activity of twelve demosponges from Brazil

    Directory of Open Access Journals (Sweden)

    SM. Ribeiro

    Full Text Available Benthic marine organisms are constantly exposed to fouling, which is harmful to most host species. Thus, the production of secondary metabolites containing antifouling properties is an important ecological advantage for sessile organisms and may also provide leading compounds for the development of antifouling paints. High antifouling potential of sponges has been demonstrated in the Indian and Pacific oceans and in the Caribbean and Mediterranean seas. Brazilian sponges remain understudied concerning antifouling activities. Only two scientific articles reported this activity in sponges of Brazil. The objective of this study was to test crude extracts of twelve species of sponges from Brazil against the attachment of the mussel Perna perna through laboratorial assays, and highlight promising species for future studies. The species Petromica citrina, Amphimedon viridis, Desmapsamma anchorata, Chondrosia sp., Polymastia janeirensis, Tedania ignis, Aplysina fulva, Mycale angulosa, Hymeniacidon heliophila, Dysidea etheria, Tethya rubra, and Tethya maza were frozen and freeze-dried before extraction with acetone or dichloromethane. The crude extract of four species significantly inhibited the attachment of byssus: Tethya rubra (p = 0.0009, Tethya maza (p = 0.0039, Petromica citrina (p = 0.0277, and Hymeniacidon heliophila (p = 0.00003. These species, specially, should be the target of future studies to detail the substances involved in the ability antifouling well as to define its amplitude of action.

  10. Twelve Elastic Constants of Betula platyphylla Suk.

    Institute of Scientific and Technical Information of China (English)

    Wang Liyu; Lu Zhenyou

    2004-01-01

    Wood elastic constants are needed to describe the elastic behaviors of wood and be taken as an important design parameter for wood-based composite materials and structural materials. This paper clarified the relationships between compliance coefficients and engineering elastic constants combined with orthotropic properties of wood, and twelve elastic constants of Betula platyphylla Suk. were measured by electrical strain gauges. Spreading the adhesive quantity cannot be excessive or too little when the strain flakes were glued. If excessive, the glue layer was too thick which would influence the strain flakes' performance, and if too little, glues plastered were not firm, which could not accurately transmit the strain. Wood as an orthotropic material, its modulus of elasticity and poisson's ratios are related by two formulas:μij /Ei =μji /Ej and μij 0.95) between the reciprocal of elastic modulus MOE-1 and the square of the ratio of depth to length (h/l)2, which indicate that shear modulus values measured were reliable by three point bending experiment.

  11. ANAESTHETIC MANAGEMENT OF A 5 MONTH OLD PREMATURE INFANT WITH RESPIRATORY STRIDOR FOR PDA CLOSURE

    Directory of Open Access Journals (Sweden)

    Sushanta Kumar

    2015-08-01

    Full Text Available Management of a premature infant with PDA poses a significant challenge in the perioperative period for the anaesthesiologist. The risk is multiplied when it is associated with other congenital respiratory anomalies. In our case a premature child at 5 month of age presented with PDA and tracheomalacia. There was a risk of airway collapse during sedation or induction of anaesthesia along with a n anticipated difficu lt intubation. We have managed the case by inducing and intubating the patient in the lateral position without using muscle relaxants. We have used Sevoflurane as the sole anaesthetic agent for inducing and intubating the patient. Postoperatively patient w as extubated in lateral position and succesfully discharged from ICU.

  12. PDA-assisted simulated clinical experiences in undergraduate nursing education: a pilot study.

    Science.gov (United States)

    Schlairet, Maura C

    2012-01-01

    Descriptive literature on use of personal digital assistants (PDAs) in nursing education exists; but, quantitative outcome-driven studies of efficacy are lacking. Few studies have explored the integration of technologies like simulated clinical experiences (SCEs) with informatics competencies. The purpose of this pilot study was to determine if nursing students' knowledge and attitude scores following a PDA-assisted SCE would be equivalent to textbook-assisted scores. Using a convenience sample of first-semester baccalaureate students and an equivalence design, multiple lessons were learned about the use of PDAs in the context of SCE. Learning was supported through use of PDAs in place of traditional text references; students viewed PDAs as beneficial resources in the provision of care; PDA use prompted reflection and triggered important need-learning connections; orientation to the use of PDAs promoted positive student attitudes; and use of PDAs helped meet nursing informatics curricular requirements.

  13. Integration of Personal Digital Assistant (PDA) Devices into the Military Healthcare Clinic Environment

    Science.gov (United States)

    2001-09-01

    on your PDA. Some calculations that might be performed are Apgar score , Bayes Theorem, Oxygen Index, Pregnancy due date, and Vascular Resistances...Calculators – They allow numerous formulas and clinical scores to be rapidly calculated. • Patient Billing and Coding Databases – They provide Evaluation...clinical scores the majority of which have accompanying references and clinical-use hints all listed in alphabetical order, MedCalc is a favorite among

  14. Performance evaluation of wavelet-based face verification on a PDA recorded database

    Science.gov (United States)

    Sellahewa, Harin; Jassim, Sabah A.

    2006-05-01

    The rise of international terrorism and the rapid increase in fraud and identity theft has added urgency to the task of developing biometric-based person identification as a reliable alternative to conventional authentication methods. Human Identification based on face images is a tough challenge in comparison to identification based on fingerprints or Iris recognition. Yet, due to its unobtrusive nature, face recognition is the preferred method of identification for security related applications. The success of such systems will depend on the support of massive infrastructures. Current mobile communication devices (3G smart phones) and PDA's are equipped with a camera which can capture both still and streaming video clips and a touch sensitive display panel. Beside convenience, such devices provide an adequate secure infrastructure for sensitive & financial transactions, by protecting against fraud and repudiation while ensuring accountability. Biometric authentication systems for mobile devices would have obvious advantages in conflict scenarios when communication from beyond enemy lines is essential to save soldier and civilian life. In areas of conflict or disaster the luxury of fixed infrastructure is not available or destroyed. In this paper, we present a wavelet-based face verification scheme that have been specifically designed and implemented on a currently available PDA. We shall report on its performance on the benchmark audio-visual BANCA database and on a newly developed PDA recorded audio-visual database that take include indoor and outdoor recordings.

  15. Measuring educational workload: a pilot study of paper-based and PDA tools.

    Science.gov (United States)

    Tallett, Susan; Lingard, Lorelei; Leslie, Karen; Pirie, Jonathan; Jefferies, Ann; Spero, Lawrence; Schneider, Rayfel; Hilliard, Robert; Rosenfield, Jay; Hellmann, Jonathan; Mian, Marcellina; Hurley, Jennifer

    2008-01-01

    Teaching is an important professional role for most faculty members in academic health sciences centres. Careful delineation of educational workload is needed to foster and reward teaching efforts, and to facilitate equitable allocation of resources. To promote recognition in teaching and facilitate equitable resource allocation, we developed, piloted, and qualitatively assessed a tool for delineating the educational workload of pediatric faculty in an academic health sciences centre. A prototype educational workload measurement tool was developed. Between 2002 and 2004, three successive phases of pilot implementation were conducted to (1) assess the face validity of the tool, (2) assess its feasibility, and (3) develop and assess the feasibility of a PDA (Personal Digital Assistant) version. Participants were interviewed regarding strengths, weaknesses, and barriers to completion. Data were analyzed for recurrent themes. Faculty found that the tool was usable and represented a broad range of educational activities. The PDA format was easier to use and better received. Technical support would be imperative for long-term implementation. The greatest barriers to implementation were skepticism about the purpose of the tool and concerns that it would promote quantity over quality of teaching. We developed a usable tool to capture data on the diverse educational workload of pediatric faculty. PDA technology can be used to facilitate collection of workload data. Faculty skepticism is an important barrier that should be addressed in future work.

  16. Web Based Access to Real-Time Meteorological Products Optimized for PDA- Smartphones

    Science.gov (United States)

    Dengel, R. C.; Bellon, W.; Robaidek, J.

    2006-05-01

    Recent advances in wireless broadband services and coverage have made access to the internet possible in remote locations. Users can now access the web via an ever increasing number of small, handheld devices specifically designed to allow voice and data exchange using this expanding service. So called PDA phones or smartphones blend the features of traditional PDA devices with telecommunications capabilities. The University of Wisconsin - Madison, Space Science and Engineering Center (SSEC) has produced a web site holding a variety of meteorological image and text displays optimized for this new technology. The site features animations of real-time radar and satellite clouds with value added graphical overlays of severe watches and warnings. Products focus on remotely sensed information supplemented with conventional ground observations. The PDA Animated Weather (PAW) website has rapidly been adopted by numerous institutions and individuals desiring access to real-time meteorological information independent of their location. Of particular note are users that can be classified as first responders, including foreign and domestic based police and file departments. This paper offers an overview of the PAW project including product design, automated production and web presentation. Numerous examples of user applications will be presented, planned future products and functionality will be discussed.

  17. Surface modification by grafting of poly(SBMA-co-AEMA)-g-PDA coating and its application in CE.

    Science.gov (United States)

    Chen, Lijuan; Tan, Lin; Liu, Songtao; Bai, Longchao; Wang, Yanmei

    2014-01-01

    In this paper, a novel copolymer consisting of sulfobetaine methacrylate (SBMA) and 2-aminoethyl methacrylate (AEMA) named as poly(SBMA-co-AEMA) was synthesized by conventional free-radical polymerization, the poly(SBMA-co-AEMA) zwitterionic copolymer was immobilized onto glass slides surface through polydopamine (PDA)-anchored coating and formed poly(SBMA-co-AEMA)-g-PDA coating. The defined copolymer was characterized by nuclear magnetic resonance hydrogen spectroscopy ((1)H NMR) and gel permeation chromatography. The surface morphology, thickness, and chemical component of poly(SBMA-co-AEMA)-g-PDA coating were studied by atom force microscope, ellipsometry, and X-ray photoelectron spectroscopy, respectively. The hydrophilicity and stability of these coatings were investigated by static water contact angles. And finally, the poly(SBMA-co-AEMA)-g-PDA coating was successfully applied into capillary inner surface for suppression electro-osmotic flow and protein separation by capillary electrophoresis.

  18. Mn(2+)-coordinated PDA@DOX/PLGA nanoparticles as a smart theranostic agent for synergistic chemo-photothermal tumor therapy.

    Science.gov (United States)

    Xi, Juqun; Da, Lanyue; Yang, Changshui; Chen, Rui; Gao, Lizeng; Fan, Lei; Han, Jie

    2017-01-01

    Nanoparticle drug delivery carriers, which can implement high performances of multi-functions, are of great interest, especially for improving cancer therapy. Herein, we reported a new approach to construct Mn(2+)-coordinated doxorubicin (DOX)-loaded poly(lactic-co-glycolic acid) (PLGA) nanoparticles as a platform for synergistic chemo-photothermal tumor therapy. DOX-loaded PLGA (DOX/PLGA) nanoparticles were first synthesized through a double emulsion-solvent evaporation method, and then modified with polydopamine (PDA) through self-polymerization of dopamine, leading to the formation of PDA@DOX/PLGA nanoparticles. Mn(2+) ions were then coordinated on the surfaces of PDA@DOX/PLGA to obtain Mn(2+)-PDA@DOX/PLGA nanoparticles. In our system, Mn(2+)-PDA@DOX/PLGA nanoparticles could destroy tumors in a mouse model directly, by thermal energy deposition, and could also simulate the chemotherapy by thermal-responsive delivery of DOX to enhance tumor therapy. Furthermore, the coordination of Mn(2+) could afford the high magnetic resonance (MR) imaging capability with sensitivity to temperature and pH. The results demonstrated that Mn(2+)-PDA@ DOX/PLGA nanoparticles had a great potential as a smart theranostic agent due to their imaging and tumor-growth-inhibition properties.

  19. Mn2+-coordinated PDA@DOX/PLGA nanoparticles as a smart theranostic agent for synergistic chemo-photothermal tumor therapy

    Science.gov (United States)

    Xi, Juqun; Da, Lanyue; Yang, Changshui; Chen, Rui; Gao, Lizeng; Fan, Lei; Han, Jie

    2017-01-01

    Nanoparticle drug delivery carriers, which can implement high performances of multi-functions, are of great interest, especially for improving cancer therapy. Herein, we reported a new approach to construct Mn2+-coordinated doxorubicin (DOX)-loaded poly(lactic-co-glycolic acid) (PLGA) nanoparticles as a platform for synergistic chemo-photothermal tumor therapy. DOX-loaded PLGA (DOX/PLGA) nanoparticles were first synthesized through a double emulsion-solvent evaporation method, and then modified with polydopamine (PDA) through self-polymerization of dopamine, leading to the formation of PDA@DOX/PLGA nanoparticles. Mn2+ ions were then coordinated on the surfaces of PDA@DOX/PLGA to obtain Mn2+-PDA@DOX/PLGA nanoparticles. In our system, Mn2+-PDA@DOX/PLGA nanoparticles could destroy tumors in a mouse model directly, by thermal energy deposition, and could also simulate the chemotherapy by thermal-responsive delivery of DOX to enhance tumor therapy. Furthermore, the coordination of Mn2+ could afford the high magnetic resonance (MR) imaging capability with sensitivity to temperature and pH. The results demonstrated that Mn2+-PDA@ DOX/PLGA nanoparticles had a great potential as a smart theranostic agent due to their imaging and tumor-growth-inhibition properties. PMID:28479854

  20. 基于DS-CDMA系统的PDA+LDPC双迭代接收机%PDA+LDPC Doubly-Iterative Receiver Based on DS-CDMA Systems

    Institute of Scientific and Technical Information of China (English)

    梅中辉; 李晓飞

    2009-01-01

    本文针对DS-CDMA系统来给出PDA+LDPC双迭代接收机,该双迭代接收机由随机数据联合检测检测器(PDA)和LDPC译码器级联而成.PDA检测器可与LDPC译码器通过外迭代运算交互信息来提高系统性能.LDPC译码器由变量节点译码器(VND)和校验节点译码器(CND)组成,在每一次外迭代运算过程中,VND与CND通过一定次数的内迭代运算来交互信息.本文考虑当总的LDPC迭代译码次数一定时,选择不同的外迭代运算次数和内迭代运算次数对系统性能的影响,研究结果表明,当多址干扰量较小时,减少内迭代运算次数(增大外迭代运算次数)可获得较好的系统性能;而当多址干扰量较大时,适当增加内迭代运算次数(减小外迭代运算次数)可获得更好的系统性能.

  1. Hepatic Angiosarcoma: a Review of Twelve Cases

    Institute of Scientific and Technical Information of China (English)

    Qiang Li; Xishan Hao

    2005-01-01

    OBJECTIVE Hepatic angiosarcoma (HAS), a lethal disease, is the most common sarcoma arising in the liver. Little information about the epidemiology, etiology, diagnosis and management of HAS has been reported. Increased familiarity with this disease will facilitate correct diagnosis and help to improve management of this condition in the future.The objective of this study was to describe cases of hepatic angiosarcoma and to discuss the etiologic, diagnostic, therapeutic features and prognosis of this tumor. This report not only serves to give more evidence of the relationship between hepatic angiosarcoma and carcinogenic exposure, but also demonstrates the key points in different methods of diagnosis and the optimal treatment of hepatic angiosarcoma.METHODS Twelve cases of hepatic angiosareoma were analyzed retrospectively, representing the different character in clinical presentations and laboratory computed tomographical scans; pathological data and treatment are described. Clinical and biologic follow-up was carried out for two years after surgical treatment.RESULTS There were nine men and three women varying in ages from 57 to 71 years with an average of 64.3 years. Ten patientshad a history of exposure to vinyl chloride or thorotrast. Mild or moderate abdominal pain and bloating, abdominal mass and fever were the common clinical presentations. Tumors were visualized by ultrasonography and CT scans in all patients. Biochemical profiles yielded variable results and proved to be of little value in detection or diagnosis. Surgical resection was feasible for each patient who was treated as follows: two wedge resections, six segementectomies and four bisegmentectomies. Five patients received Neoadjuvant chemotherapy postoperatively. The survival rate of those cases was poor. The maximum survival time was fourteen months. The mean survival time for this chemotherapeutic group was 11 months. The difference between the survival time of those treated with an operation

  2. Evaluation des Personal Digital Assistant (PDA-Angebots der Zweigbibliothek Medizin in Münster / Evaluation of the PDA-project at the Branch Library Medicine at Münster

    Directory of Open Access Journals (Sweden)

    Obst, Oliver

    2008-09-01

    Full Text Available Since 2004, in a project the Branch Library of Medicine (ZB Med offers a PDA service for its users. The service consists of eight PDAs on loan for four weeks, as well as a number of programs to install on the user’s PDA. The programms for installation on the user’s PDA were Medline search and TOC alert, Drug Interaction Facts (all OVID and the Rote Liste (Editio Cantor Verlag Aulendorf. Within half a year, the programs were installed 154-times. Rate of satisfaction with the Rote Liste was an exceptional 1.58 (on a scale of 1–5, 1 = very satisfied, 5 = very dissatisfied. The Drug Interaction Facts followed with 1.75, Medline with 1.88. In the subsequent phase of the project, the main focus was on the transfer of licences to users. The list of applications has been extended to nine programmes: DDInnere, Yellow list, Herold – Internal Medicine, ifap index Pocket, ICD-10, Medline, Pschyrembel, Rote Liste, and UpToDate. With a survey of 186 users, this phase was evaluated in April 2006. Overall, the library transferred 570 licenses to their users. The five most popular applications were the Rote Liste (84%, the Herold – Internal Medicine (76%, Pschyrembel (75%, the Arzneimittel pocket (67% and the Phone book of the clinic (63% – all products offered by the ZB Med. 88% of respondents were satisfied or very satisfied with this offer, 11% are undecided and only one dissatisfied. The PDA service considerably increased the market penetration and the use of these applications. Before the PDA project the Rote Liste was used only by 8% of the PDA owners and after the project by 77%. This represents an increase of the 8.4-fold. The same also holds true for the DDInnere, Ifap index, ICD-10, Herold and the Pschyrembel. The Arzneimittel pocket is the only product that did not need this "helping hand": With 38% it was almost perfectly distributed. Compared with the respective printed books, the Rote Liste achieved best: 83% found the PDA version

  3. Highly Preorganized Ligand 1,10-Phenanthroline-2,9-dicarboxylic Acid for the Selective Recovery of Uranium from Seawater in the Presence of Competing Vanadium Species.

    Science.gov (United States)

    Lashley, Mark A; Ivanov, Alexander S; Bryantsev, Vyacheslav S; Dai, Sheng; Hancock, Robert D

    2016-10-17

    Studies of the complexation of new promising ligands with uranyl (UO2(2+)) and other seawater cations can aid the development of more efficient, selective, and robust sorbents for the recovery of uranium from seawater. In this work, we propose that the ligand design principles based on structural preorganization can be successfully applied to obtain a dramatic enhancement in UO2(2+) ion binding affinity and selectivity. This concept is exemplified through the investigation of the complexes of UO2(2+), VO2(+), and VO(2+) with the highly preorganized ligand 1,10-phenanthroline-2,9-dicarboxylic acid (PDA) using a combination of fluorescence and absorbance techniques, along with density functional theory (DFT) calculations. The measured stability constant value, log K1, of 16.5 for the UO2(2+)/PDA complex is very high compared to uranyl complexes with other dicarboxylic ligands. Moreover, PDA exhibits strong selectivity for uranyl over vanadium ions, since the determined stability constant values of the PDA complexes of the vanadium ions are quite low (V(IV) log K1 = 7.4, V(V) = 7.3). The structures of the corresponding UO2(2+), VO2(+), and VO(2+) complexes with PDA were identified by systematic DFT calculations and helped to interpret the stronger binding affinity for uranium over the vanadium ions. Because of its high chemical stability, selectivity, and structural preorganization for UO2(2+) complexation, PDA is a very promising candidate that can be potentially used in the development of novel adsorbent materials for the selective extraction of uranium from seawater.

  4. LC/PDA/ESI-MS Profiling and Radical Scavenging Activity of Anthocyanins in Various Berries

    Directory of Open Access Journals (Sweden)

    Jun-ichiro Nakajima

    2004-01-01

    Full Text Available Anthocyanin extracts of two blueberries, Vaccinium myrtillus (bilberry and Vaccinium ashei (rabbiteye blueberry, and of three other berries, Ribes nigrum (black currant, Aronia melanocarpa (chokeberry, and Sambucus nigra (elderberry, were analyzed by high-performance liquid chromatography coupled with photodiode array detection and electrospray ionization - mass spectrometry (LC/PDA/ESI-MS. Both bilberry and rabbiteye blueberry contained 15 identical anthocyanins with different distribution patterns. Black currant, chokeberry, and elderberry contained 6, 4, and 4 kinds of anthocyanins, respectively. The radical scavenging activities of these berry extracts were analyzed by using 2,2-diphenyl-1-picrylhydrazyl (DPPH. All these extracts showed potent antiradical activities.

  5. HPLC/PDA/ESI-MS evaluation of saffron (Crocus sativus L.) adulteration.

    Science.gov (United States)

    Sabatino, Leonardo; Scordino, Monica; Gargano, Maria; Belligno, Adalgisa; Traulo, Pasqualino; Gagliano, Giacomo

    2011-12-01

    The present study evaluated the reliability of the ISO/TS 3632-2 UV-Vis spectrometric method for saffron classification, making experiments on saffron samples to which were added increasing concentrations of common saffron spice adulterants (safflower, marigold and turmeric). The results showed that the ISO/TS 3632-2 method is not able to detect addition of up to 10-20%, w/w, of saffron adulterants. For additions from 20 to 50%, w/w, of the three adulterants, saffron was classified in a wrong category; addition of higher than 50%, w/w, determined variations in the investigated parameters that did not allow identification of the product as "saffron". In all cases, the method did not permit the recognition of the nature of the adulterant. On the contrary, the specificity of the HPLC/PDA/MS technique allowed the unequivocal identification of adulterant characteristic marker molecules that could be recognized by the values of absorbance and mass. The selection of characteristic ions of each marker molecule has revealed concentrations of up to 5%, w/w, for safflower and marigold and up to 2% for turmeric. In addition, the high dyeing power of turmeric allowed the determination of 2%, w/w, addition using exclusively the HPLC/PDA technique.

  6. Wireless transmission of animated 2D graphics for personal digital assistant (PDA) systems

    Science.gov (United States)

    Yan, Zhidong; Kuo, C.-C. Jay

    1998-08-01

    The transmission of animated 2D graphics via the wireless link of the personal digital assistant (PDA) system is investigated in this work. An animated graphic sequence is often stored in the animated GIF format and transmitted via wired networks. Due to the much narrower bandwidth requirement of a wireless channel, the same approach cannot be properly used in the wireless environment. This paper presents a new approach to wireless transmission of animated sequences. Basic elements of 2D graphics include points, lines, polygons and different color filling commands. Furthermore, to achieve the animation effect, a reference frame is often used to reduce the redundancy between adjacent frames. All these can be considered as rendering commands. The major different between 2D graphics and the GIF image is that the former is on structure level while the latter is on pixel level (i.e. bitmap). By exploiting this unique feature, we are able to obtain a more efficient coding method for the component frame. That is, instead of transmitting the rendered bitmap as done with animated GIF, rendering commands are encoded and transmitted to client's PDA while the rendering process is actually performed at the client side. With the proposed scheme, the compression standard is built upon a common set of rendering commands. The final integration involves buffer control and error protection. It is demonstrated by experiments that animated sequences can be transmitted within a channel of bandwidth less than 1 Kbps while maintaining excellent image quality.

  7. An Integrated GPS/PDA/GIS Telegeoprocessing System for Traffic and Environment

    Directory of Open Access Journals (Sweden)

    Jaime Barceló

    2009-12-01

    Full Text Available The development of sustainable urban transport networks is a present priority for world leaders, national governors and local authorities. The challenge is to increase mobility reducing the adverse impacts of transport. The potential of Intelligent Transportation Systems (ITS to provide solutions for the 21 st century sustainable urban transport system has already been demonstrated in several piecewise applications. An integrated framework that addresses the needs of municipal authorities, that integrates the data spread through different sources, that supports the intelligent traffic and environment operations, and that provides information to the citizens steering their involvement and commitment is of critical importance and can be the enabler towards the creation of more efficient, safety, and environmental-friendly transport networks that promote the citizens' quality of life. This work describes an integrated GPS (Global Positioning System / PDA (Personal Digital Assistant / GIS (Geographical Information System system which is part of the mentioned framework. The system includes prototypes for mobile urban traffic data acquisition, with a GPS -equipped vehicle, a PDA application and wireless communications, and for a geodatabase with a related Web application for urban traffic and environment. Their integrated operation is exemplified for a real urban transport system.

  8. LC-MS characterization of valsartan degradation products and comparison with LC-PDA

    Directory of Open Access Journals (Sweden)

    Sumaia Araújo Pires

    2015-12-01

    Full Text Available abstract Valsartan was submitted to forced degradation under acid hydrolysis condition as prescribed by the ICH. Degraded sample aliquots were separated via HPLC using a Hypersil ODS (C18 column (250 x 4.6 mm i.d., 5 µm. Either photodiode array (PDA detection or mass spectrometry (MS full scan monitoring of HPLC runs were used. HPLC-PDA failed to indicate Valsartan degradation under forced acid degradation, showing an insignificant peak area variation and that Valsartan apparently remained pure. HPLC-MS using electrospray ionization (ESI and total ionic current (TIC monitoring did not reveal any peak variation either, but inspection of the ESI mass spectra showed the appearance of m/z 306 and m/z 352 ions for the same retention time as that of Valsartan (m/z 436. These ions were identified as being protonated molecules of two co-eluting degradation products formed by hydrolysis. These assignments were confirmed by ESI-MS/MS with direct infusion of the degraded samples. The results showed that the use of selective HPLC-MS is essential for monitoring Valsartan degradation. Efficient HPLC separation coupled to selective and structural diagnostic MS monitoring seems therefore mandatory for comprehensive drug degradation studies, particularly for new drugs and formulations, and for method development.

  9. 国外图书馆联盟的电子书 PDA 模式研究--以美国奥比斯级联联盟为例%Research on PDA Model of E -Book in Foreign Library Consortiums---The Orbis Cascade Alliance E -Books PDA Pilot

    Institute of Scientific and Technical Information of China (English)

    廖利香

    2015-01-01

    介绍了国外图书馆联盟电子书 PDA 的概况,以美国奥比斯级联联盟的电子书 PDA 项目为例,阐述了其资金的来源、书商的选择、电子书的定价和触发购买机制、项目评估以及面临的挑战,以对我国图书馆联盟电子书 PDA 的实施提供有益的借鉴。%This paper described the general situation of patron driven acquisition of E -books in foreign li-brary consortiums.Taking the e -books PDA project of the Orbis Cascade Alliance as an example,the author ex-pounded its source of funding,selection of vendors,pricing and trigger purchase mechanism for e -books ,evaluation and unforeseen challenges,in hope of providing beneficial reference for the implementation of e -book PDA in domes-tic library consortiums.

  10. Implementing PDA technology in a medical library: experiences in a hospital library and an academic medical center library.

    Science.gov (United States)

    Morgen, Evelyn Breck

    2003-01-01

    Personal digital assistants (PDAs) have grown from being a novelty in the late 1990s to an essential tool for healthcare professionals in the 2000s. This paper describes the experiences of a librarian who implemented PDA technology first in a hospital library, and then at an academic medical center library. It focuses on the role of the library in supporting PDA technology and resources. Included are programmatic issues such as training for library staff and clinicians, and technical issues such as Palm and Windows operating systems. This model could be used in either a hospital or academic health sciences library.

  11. 共聚物 PDA 的磺化工艺研究%The Study of Sulfonation Process of Copolymers PDA

    Institute of Scientific and Technical Information of China (English)

    韩磊; 谢燕; 尚伟

    2014-01-01

    在水溶液聚合的条件下,利用磺甲基化原理,对共聚物PDA进行磺化改性,全面探讨影响磺化后产物相对分子质量的因素,对比分析磺化前后产品红外谱图。实验表明,磺化改性的较佳条件为:磺化温度为60℃、 n ( AM )砄n ( HCHO )砄n(Na2SO3)=1砄0.5砄1、磺化时间为4 h、磺化反应pH为8,合成SPDA分子量为4.39×105。%Under the conditions with solution polymerization , with the principal of sulfomethylation , PDA was modified by sulfonated.The factor influenced the relative molecular mass of sulfonated product was comprehensively studied , comparing the IR of product that sulfonated with the IR of product that after sulfonated.The result showed the sulfonated modified for better conditions were that sulfonation temperature was 60℃, n(AM):n(HCHO):n(Na2SO3)=1:0.5:1, sulfonated time was 4 h, sulfonation reaction pH was 8, and the relative molecular mass of SPDA was 4.39 ×105.

  12. HPLC-PDA-MS fingerprinting to assess the authenticity of pomegranate beverages.

    Science.gov (United States)

    Borges, Gina; Crozier, Alan

    2012-12-01

    HPLC with fluorescence, PDA and mass spectrometric detection were used to analyse the (poly)phenol content of a Bordeaux red wine, POM Wonderful pomegranate juice and three other beverages advertised as being made from 100% pomegranate juice. The red wine and POM Wonderful juice contained characteristic anthocyanin profiles with the latter also being characterised by the presence of ellagitannins and the former by flavan-3-ols monomers and procyanidin dimers and trimers. The three other pomegranate products all contained the expected ellagitannins but their anthocyanin profiles were a mixture of red wine and pomegranate anthocyanins. They also contained flavan-3-ol monomers and procyanidin dimers and trimers, components not usually detected in 100% pomegranate beverages. The HPLC-based procedures, therefore, provide a straight-forward means of accessing the authenticity of pomegranate-based products with the ready detection of constituents derived from red grapes.

  13. Identification of forced degradation products of itopride by LC-PDA and LC-MS

    Directory of Open Access Journals (Sweden)

    Payal Joshi

    2011-01-01

    Full Text Available Degradation products of itopride formed under different forced conditions have been identified using LC-PDA and LC-MS techniques. Itopride was subjected to forced degradation under the conditions of hydrolysis, photolysis, oxidation, dry and wet heat, in accordance with the International Conference on Harmonization. The stress solutions were chromatographed on reversed phase C18 (250×4.6 mm, 5 μm column with a mobile phase methanol:water (55:45, v/v at a detection wavelength of 215 nm. Itopride degraded in acid, alkali and oxidative stress conditions. The stability indicating method was developed and validated. The degradation pathway of the drug to products II-VIII is proposed.

  14. Identification and quantification of carotenoids, by HPLC-PDA-MS/MS, from Amazonian fruits.

    Science.gov (United States)

    de Rosso, Veridiana V; Mercadante, Adriana Z

    2007-06-27

    The major and minor carotenoids from six fruits, buriti (Mauritia vinifera), mamey (Mammea americana), marimari (Geoffrola striata), peach palm (Bactrys gasipaes), physalis (Physalis angulata), and tucuma (Astrocaryum aculeatum), all native to the Amazonia region, were determined by high-performance liquid chromatography-photodiode array detector-mass spectrometry detector (HPLC-PDA-MS/MS), fulfilling the recommended criteria for identification. A total of 60 different carotenoids were separated on a C30 column, all-trans-beta-carotene being the major carotenoid found in all fruits. The presence of apo-10'-beta-carotenol, found in mamey, was not previously reported in foods. In addition, this is the first time that the identification of beta-zeacarotene in natural sources is supported by MS data. The total carotenoid content ranged from 38 microg/g in marimari to 514 microg/g in buriti. All fruits analyzed can be considered good sources of provitamin A, especially buriti, with 7280 RE/100 g.

  15. Application of mobile GIS in special equipment inspection based on PDA

    Science.gov (United States)

    Chen, Zhirong; Xu, Caijiang

    2008-10-01

    This paper discusses how to apply the mobile GIS technology to the common special equipment inspection business to meet the requirements of efficient management. The concepts of "special equipment" and "mobile GIS" are introduced at beginning. Then we analyze the business background and the present technique research; put forward a mobile GIS solution apply to special equipment inspection. A Special Equipment Inspection System is designed independently. The system architecture and database structure are discussed in detail. In the mobile environment, three key technologies are especially discussed in the paper, such as the interface design adapt to PDA device, data alternate mechanism and other embedded development attentions. The system has been used in Hangzhou Bureau of Quality and Technical Supervision for special equipment management, and gotten good result. So the requirements of scientifically manage the special equipment and establish e-government are completed met.

  16. Development, implementation and preliminary study of a PDA-based tuberculosis result collection system.

    Science.gov (United States)

    Blaya, Joaquin; Fraser, Hamish S F

    2006-01-01

    Partners In Health (PIH) and its sister organization in Lima, Peru, Socios En Salud (SES), treat a majority of multidrug-resistant tuberculosis (MDR-TB) patients in Peru, in conjunction with the Peruvian National TB Program (NTP). Monthly bacteriology tests, which must be collected from health establishments located across this major city, are an integral part of this treatment. Currently, a SES employee visits each health establishment to collect this information by hand, process it and type it into an electronic medical record system (PIH-EMR). In this paper, we describe the development and implementation of a personal digital assistant (PDA)-based electronic system to collect, verify and upload monthly bacteriology data into the PIH-EMR. After an initial implementation period, we performed a pilot study to test the use of this system. We completed a baseline assessment in two health districts and then implemented the electronic system in one of the districts while the control site continued to use the paper-based system during the same period. The PDA-based system had a processing time of 6.2 days, significantly lower than measurements for both the baseline [54.8] and control sites [64.4] (both p<0.0001). It was also able to reduce the frequency of discrepancy from 10.1% to 2.8% (p<0.0001) and receive positive feedback from the users. Finally, the system's cost would be recuperated in three months from time savings due to increased work efficiency. This system will be the subject of a larger study to determine its impact on delays, errors and costs.

  17. Development, implementation and preliminary study of a PDA-based bacteriology collection system

    Science.gov (United States)

    Blaya, Joaquin; Fraser, Hamish SF

    2006-01-01

    Partners In Health (PIH) and its sister organization in Lima, Peru, Socios En Salud (SES), treat a majority of multidrug-resistant tuberculosis (MDR-TB) patients in Peru, in conjunction with the Peruvian National TB Program (NTP). Monthly bacteriology tests, which must be collected from health establishments located across this major city, are an integral part of this treatment. Currently, a SES employee visits each health establishment to collect this information by hand, process it and type it into an electronic medical record system (PIH-EMR). In this paper, we describe the development and implementation of a personal digital assistant (PDA)-based electronic system to collect, verify and upload monthly bacteriology data into the PIH-EMR. After an initial implementation period, we performed a pilot study to test the use of this system. We completed a baseline assessment in two health districts and then implemented the electronic system in one of the districts while the control site continued to use the paper-based system during the same period. The PDA-based system had a processing time of 6.2 days, significantly lower than measurements for both the baseline [54.8] and control sites [64.4] (both p<0.0001). It was also able to reduce the frequency of discrepancy from 10.1% to 2.8% (p<0.0001) and receive positive feedback from the users. Finally, the system’s cost would be recuperated in three months from time savings due to increased work efficiency. This system will be the subject of a larger study to determine its impact on delays, errors and costs. PMID:17238299

  18. Hydrothermal reactions: From the synthesis of ligand to new lanthanide 3D-coordination polymers

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Fausthon Fred da; Fernandes de Oliveira, Carlos Alberto; Lago Falcão, Eduardo Henrique [Laboratório de Terras Raras, Departamento de Química Fundamental, Universidade Federal de Pernambuco (DQF-UFPE), 50590-470 Recife, PE (Brazil); Gatto, Claudia Cristina [Laboratório de Síntese Inorgânica e Cristalografia, Instituto de Química, Universidade de Brasília (IQ-UnB), 70904-970 Brasilia, DF (Brazil); Bezerra da Costa, Nivan; Oliveira Freire, Ricardo [Pople Computational Chemistry Laboratory, Departamento de Química, Universidade Federal de Sergipe, São Cristóvão-SE 49100-000 (Brazil); Chojnacki, Jarosław [Department of Inorganic Chemistry, Gdansk University of Technology, 80-233 Gdansk (Poland); Alves Júnior, Severino, E-mail: salvesjr@ufpe.br [Laboratório de Terras Raras, Departamento de Química Fundamental, Universidade Federal de Pernambuco (DQF-UFPE), 50590-470 Recife, PE (Brazil)

    2013-11-15

    The organic ligand 2,5-piperazinedione-1,4-diacetic acid (H{sub 2}PDA) was synthesized under hydrothermal conditions starting from the iminodiacetic acid and catalyzed by oxalic acid. The X-ray powder diffraction data indicates that the compound crystallizes in the P2{sub 1}/c monoclinic system as reported in the literature. The ligand was also characterized by elemental analysis, magnetic nuclear resonance, infrared spectroscopy and thermogravimetric analysis. Two new coordination networks based on lanthanide ions were obtained with this ligand using hydrothermal reaction. In addition to single-crystal X-ray diffraction, the compounds were characterized by infrared spectroscopy, thermogravimetric analysis, scanning electron microscopy and elemental analysis. Single-crystal XRD showed that the compounds are isostructural, crystallizing in P2{sub 1}/n monoclinic system with chemical formula [Ln(PDA){sub 1.5}(H{sub 2}O)](H{sub 2}O){sub 3} (Ln=Gd{sup 3+}(1) and Eu{sup 3+}(2)).The luminescence properties of both compounds were studied. In the compound (1), a broad emission band was observed at 479 nm, redshifted by 70 nm in comparison of the free ligand. In (2), the typical f–f transition was observed with a maximum peak at 618 nm, related with the red emission of the europium ions. Computational methods were performed to simulate the crystal structure of (2). The theoretical calculations of the intensity parameters are in good agreement with the experimental values. - Graphical abstract: Scheme of obtaining the ligand 2,5-piperazinedione-1,4-diacetic acid (H{sub 2}PDA) and two new isostructural 3D-coordination polymers [Ln(PDA){sub 1.5}(H{sub 2}O)](H{sub 2}O){sub 3} (Ln=Gd{sup 3+} and Eu{sup 3+}) by hydrothermal synthesis. Display Omitted - Highlights: • The ligand 2,5-piperazinedione-1,4-diacetic acid was synthetized using the hydrothermic method and characterized. • Two new 3D-coordination polymers with this ligand containing Gd{sup 3+} and Eu{sup 3+} ions

  19. LC-PDA-ESI/MS Identification of the Phenolic Components of Three Compositae Spices: Chamomile, Tarragon, and Mexican Arnica

    Science.gov (United States)

    Chamomile (Matricaria chamomilla L.), tarragon (Artemisia dracunculus L.) and Mexican arnica (Heterotheca inuoides) are common compositae spices and herbs found in the US market. They contain flavonoids and hydroxycinnamates that are potentially beneficial to human health. A standardized LC-PDA-ESI...

  20. Development and pilot evaluation of user acceptance of advanced mass-gathering emergency medical services PDA support systems.

    Science.gov (United States)

    Chang, Polun; Hsu, Yueh-Shuang; Tzeng, Yuann-Mei; Hou, I-Ching; Sang, Yiing-Yiing

    2004-01-01

    The support systems for the Emergency Medical Services (EMS) in the mass gatherings, such as the local marathon or the large international baseball games, had been underdeveloped. The purposes for this study were to develop triage-based EMS Personal Digital Assistant (PDA) support systems for the mass-gatherings and to evaluate users' perceived ease of use and usefulness of the systems in terms of Davis' Technology Acceptance Model (TAM). The systems were developed based on an established intelligent triage PDA support system and two other forms-the general EMS form from the Taipei EMT and the customer-made Mass Gathering Medical form used by a medical center. 23 nurses and 6 physicians in the medical center, who had ever served in the mass gatherings, were invited to examine the new systems and answered the TAM questionnaire. The results showed that the PDA systems included as many 450 information items inside 42 screens under 6 categories and the great potential of using triage-based PDA systems in the mass gatherings. Overall, most of the subjects agreed with that the systems were easy to use and useful for the mass gatherings, and they were willing to accept the systems.

  1. Failure of a repeat course of cyclooxygenase inhibitor to close a PDA is a risk factor for developing chronic lung disease in ELBW infants

    Directory of Open Access Journals (Sweden)

    Adrouche-Amrani Lynda

    2012-01-01

    Full Text Available Abstract Background The optimal treatment regimen or protocol for managing a persistent patent ductus arteriosus (PDA in extremely low birth weight (ELBW infants has not been well established. This study was aimed at evaluating the failure rate of a cyclooxygenase (COX inhibitor (COI for PDA closure and to determine the incidence of a PDA requiring ligation in ELBW infants. We examined the clinical characteristics and risk factors that may predict the clinical consequences of failure of PDA closure by COI. Methods Medical information on 138 infants with birth weight (BW 48 hours was retrieved. Clinical characteristics and outcomes of patients whose PDAs closed with COI were compared with those who did not close. Results Of the 138 patients, 112 survived to discharge. Eighty (71.4% of those who survived received 1-3 courses of COI treatment for a symptomatic PDA. A total of 32 (40% failed COI treatment and underwent PDA ligation. Multivariable logistic regression analysis suggests that the observed differences in the outcomes in infants with or without symptomatic PDA can be explained by the babies with symptomatic PDA being more immature and sicker. No significant difference was seen in the incidence of chronic lung disease (CLD in infants whose PDA was treated medically versus those who failed medical treatment and then underwent ligation. However, after adjusting for disease severity and other known risk factors, the odds ratio of developing CLD for surviving babies with a persistent PDA compared to those whose PDA was successfully closed with 1-2 courses of COI is 3.24 (1.07-9.81; p = 0.038. Conclusions When successfully treated, PDA in ELBW infants did not contribute significantly to the adverse outcomes such as CLD, retinopathy of prematurity (ROP and age at discharge. This suggests that it is beneficial for a hemodynamically significant PDA to be closed. The failure of a repeat course of COI to close a PDA is a major risk factor for

  2. The twelve dimensional super (2+2)-brane

    CERN Document Server

    Hewson, S F

    1996-01-01

    We discuss supersymmetry in twelve dimensions and present a covariant supersymmetric action for a brane with worldsheet signature (2,2), called a super (2+2)-brane, propagating in the osp(64,12) superspace. This superspace is explicitly constructed, and is trivial in the sense that the spinorial part is a trivial bundle over spacetime, unlike the twisted superspace of usual Poincare supersymmetry. For consistency, it is necessary to take a projection of the superspace. This is the same as the projection required for worldvolume supersymmetry. Upon compactification of this superspace, a torsion is naturally introduced and we produce the membrane and type IIB string actions in 11 and 10 dimensional Minkowski spacetimes. In addition, the compactification of the twelve dimensional supersymmetry algebra produces the correct algebras for these theories, including central charges. These considerations thus give the type IIB string and M-theory a single twelve dimensional origin.

  3. Alcoholics anonymous and other twelve-step programs in recovery.

    Science.gov (United States)

    Detar, D Todd

    2011-03-01

    Recovery is a new way of life for many patients; a life without substances to alter their moods but with a major change improving the physical, psychological, and emotional stability with improved overall health outcomes. The Twelve Steps of the Alcoholics Anonymous (AA) are the foundation of the AA, describing both the necessary actions and the spiritual basis for the recovery program of the AA. The Twelve Steps of the AA provide a structure for which a patient with alcoholism may turn for an answer to their problem of alcohol use, abuse, or dependence. Copyright © 2011 Elsevier Inc. All rights reserved.

  4. Testing of complementarity of PDA and MS detectors using chromatographic fingerprinting of genuine and counterfeit samples containing sildenafil citrate.

    Science.gov (United States)

    Custers, Deborah; Krakowska, Barbara; De Beer, Jacques O; Courselle, Patricia; Daszykowski, Michal; Apers, Sandra; Deconinck, Eric

    2016-02-01

    Counterfeit medicines are a global threat to public health. High amounts enter the European market, which is why characterization of these products is a very important issue. In this study, a high-performance liquid chromatography-photodiode array (HPLC-PDA) and high-performance liquid chromatography-mass spectrometry (HPLC-MS) method were developed for the analysis of genuine Viagra®, generic products of Viagra®, and counterfeit samples in order to obtain different types of fingerprints. These data were included in the chemometric data analysis, aiming to test whether PDA and MS are complementary detection techniques. The MS data comprise both MS1 and MS2 fingerprints; the PDA data consist of fingerprints measured at three different wavelengths, i.e., 254, 270, and 290 nm, and all possible combinations of these wavelengths. First, it was verified if both groups of fingerprints can discriminate between genuine, generic, and counterfeit medicines separately; next, it was studied if the obtained results could be ameliorated by combining both fingerprint types. This data analysis showed that MS1 does not provide suitable classification models since several genuines and generics are classified as counterfeits and vice versa. However, when analyzing the MS1_MS2 data in combination with partial least squares-discriminant analysis (PLS-DA), a perfect discrimination was obtained. When only using data measured at 254 nm, good classification models can be obtained by k nearest neighbors (kNN) and soft independent modelling of class analogy (SIMCA), which might be interesting for the characterization of counterfeit drugs in developing countries. However, in general, the combination of PDA and MS data (254 nm_MS1) is preferred due to less classification errors between the genuines/generics and counterfeits compared to PDA and MS data separately.

  5. PDA Use by Clinicians has a Positive Impact on Clinical Decision Making. A review of: Dee, Cheryl R., Marilyn Teolis, and Andrew D. Todd. “Physicians’ use of the personal digital assistant (PDA in clinical decision making.” Journal of the Medical Library Association 93.4 (October 2005: 480-6.

    Directory of Open Access Journals (Sweden)

    Suzanne P. Lewis

    2006-06-01

    Full Text Available Objective – To examine how frequently attending physicians and physicians in training (medical students, interns and residents used PDAs for patient care and to explore physicians’ perceptions of the impact of PDA use on several aspects of clinical care. Design – User study via a questionnaire. Setting – Teaching hospitals in Tennessee, Florida, Alabama, Kentucky, and Pennsylvania in the United States. Subjects – A convenience sample of fifty nine attending physicians and forty-nine physicians in training (108 total, spread unevenly across the five states. Methods – Subjects were recruited by librarians at teaching hospitals to answer a questionnaire which was distributed and collected at medical meetings, as well as by email, mail, and fax. The subjects were required to have and use a PDA, but prior training on PDA use was not a requirement, nor was it offered to the subjects before the study. Most of the questions required the respondent to choose from five Likert scale answers regarding frequency of PDA use: almost always, often, a few times, rarely, or never. In the reporting of results, the options ‘almost always’ and ‘often’ were combined and reported as ‘frequent’, and the options ‘a few times’ and ‘rarely’, were combined and reported as ‘occasional’. Subjects could also record comments for each question, but only for affirmative responses. Subjects were asked about their frequency of PDA use before, during, or after a patient encounter. They were also asked if PDA use had influenced one or more of five aspects of clinical care – decision making, diagnosis, treatment, test ordering, and in-patient hospital length of stay. Data analysis included chi square tests to assess differences between attending physicians and physicians in training regarding frequency of PDA use and the influence of PDA use on the five aspects of clinical care. The subject population was also divided into frequent and occasional

  6. The strong coupling regime of twelve flavors QCD

    NARCIS (Netherlands)

    Silva, Tiago Nunes da; Pallante, Elisabetta

    2012-01-01

    We summarize the results recently reported in Ref.[1] [A. Deuzeman, M.P. Lombardo, T. Nunes da Silva and E. Pallante,"The bulk transition of QCD with twelve flavors and the role of improvement"] for the SU(3) gauge theory with Nf=12 fundamental flavors, and we add some numerical evidence and theoret

  7. EFFORTS Technical annex for the twelve month progress report

    DEFF Research Database (Denmark)

    Andreasen, Jan Lasson; Eriksen, Morten; Thomas christensen, Thomas Vennick;

    The present report is documentation for the work carried out at DTU during the second year of project activity. The report describes the work completed by DTU in general as well as on the active sub-tasks within materials properties, friction modelling and physical modelling, over the last twelve...

  8. Human Evolution in Science Textbooks from Twelve Different Countries

    Science.gov (United States)

    Quessada, Marie-Pierre; Clement, Pierre; Oerke, Britta; Valente, Adriana

    2008-01-01

    What kinds of images of human beings illustrate human evolution in school textbooks? A comparison between the textbooks of eighteen different countries (twelve European countries and six non-European countries) was attempted. In six countries (Algeria, Malta, Morocco, Mozambique, Portugal, and Tunisia), we did not find any chapter on the topic of…

  9. Bibliography of Spanish Materials for Students, Grades Seven through Twelve.

    Science.gov (United States)

    California State Dept. of Education, Sacramento.

    This annotated bibliography of Spanish materials for students in grades seven through twelve is divided into the following categories: (1) Art, Drama, Music, and Poetry; (2) Books in Series; (3) Culture; (4) Dictionaries and Encyclopedias; (5) Literature; (6) Mathematics; (7) Physical Education, Health, and Recreation; (8) Reading and Language…

  10. Hydrothermal Synthesis, Crystal Structures and Photoluminescence of Two Novel Metal-organic Supramolecular Frameworks Based on Mixed Ligands of Dipyrazino[2,3f:2'3'-h]quinoxaline and Pyridine-2,5-dicarboxylic Acid

    Institute of Scientific and Technical Information of China (English)

    WANG Xiu-Li; LIU Guo-Cheng; LIN Hong-Yan; CHEN Bao-Kuan; FANG Jia-Ni; ZHAO Hai-Yan

    2008-01-01

    Two novel metal-organic frameworks [Zn2(DlXl)2(2,5-pda)2(H2O)2]·2H2O (1) (dipyrazino[2,3f2'3'-h]quinoxaline=Dpq) and [Cd2(Dpq)2(2,5-pda)2]·2H2O (2) (pyridine-2,5-dicarboxylic acid=2,5-H2pda) have been obtained from hydrothermal reactions of two different metal(II) nitrates with the same mixed ligands Dpq and 2,5-H2pda,and structurally characterized by elemental analyses,TG,IR spectroscopy,and single-crystal X-ray diffraction analyse.Single-crystal X-ray analyses show that the metal ions are bridged by different coordination modes of 2,5-pda to form a dimer in 1,2D rhombic grid in 2,respectively.In the compound 1,adjacent dimers are packed through hydrogen bonds and π-π aromatic stacking interactions to form a distorted a-Po supramolecular structure.In the compound 2,adjacent polymer layers are further linked by hydrogen bonds to form a distorted a-Po 3D supramolecular framework stabilized by π-π stacking interactions.The different structures of compounds 1 and 2 illustrate the influence of the metal ions and ligands on the self-assembly of polymeric coordination architectures.In addition,the title compounds exhibit blue emission in the solid state at room temperature.

  11. Determination of ETU in tomatoes and tomato products by HPLC-PDA: evaluation of cleanup procedures.

    Science.gov (United States)

    Kontou, S; Tsipi, D; Oreopoulou, V; Tzia, C

    2001-03-01

    An HPLC-PDA method for the determination of ethylenethiourea (ETU), the main degradation product of the organic fungicides ethylene bis(dithiocarbamate)s (EBDCs), in tomatoes and tomato products is reported. Solid-matrix liquid-liquid (l-l) partitioning and separatory funnel l-l partitioning for the cleanup were examined. The effect of salt addition, pH, and phase ratio on analyte recovery at the cleanup step was studied. It was found that solid-matrix l-l partitioning afforded higher precision and more selective separation of the analyte. According to the method proposed, the samples were extracted with methanol/water (3:1, v/v) and cleaned up on an Extrelut 20 column. ETU was eluted with dichloromethane and separated on a reversed phase HPLC column. For tomato products with degrees Brix > 20 further purification through silica cartridge was adopted. The method was validated over the following ranges of concentrations: 0.01-0.5 mg/kg for tomatoes, 0.01-0.1 mg/kg for tomato juice, and 0.05-0.25 mg/kg for tomato paste. The accuracy (recoveries > 70%) and the precision obtained (%RSD < 10%) were satisfactory.

  12. Determination of nucleosides and nucleobases in the pollen of Typha angustifolia by UPLC-PDA-MS.

    Science.gov (United States)

    Tao, Wei-Wei; Duan, Jin-Ao; Yang, Nian-Yun; Guo, Sheng; Zhu, Zhen-Hua; Tang, Yu-Ping; Qian, Da-Wei

    2012-01-01

    The pollen of Typha angustifolia L. has been used traditionally for the treatment of dysmenorrhea, stranguria and metrorrhagia in China. Recently, nucleosides and nucleobases have been proven as important bioactive compounds. Exploration of the nucleoside and nucleobase profiles from the pollen of T. angustifolia is important for improving its therapeutic value and could be convenient for its quality evaluation. To establish an UPLC-PDA-MS method for simultaneous determination of nucleosides and nucleobases in the pollen of T. angustifolia. The analysis was performed on an Acuity UPLCHSS T3 column with a gradient elution of 5 mM ammonium acetate and methanol solution at a flow rate of 0.3 mL/min. Satisfactory separation of these compounds was obtained in less than 12 min. All calibration curves showed good linear regression (r²  > 0.9995). The method provided good accuracy, precision, recovery, and sensitivity for the quantification of the 10 compounds analysed. The UPLC method established is very helpful for optimising their content and could be convenient for quality evaluation of the pollen of T. angustifolia, which has not been reported as far as we are aware. Copyright © 2011 John Wiley & Sons, Ltd.

  13. Study of droplet size and velocity of fuel containing CO2 spray by means of PDA

    Institute of Scientific and Technical Information of China (English)

    XIAO Jin; QIAO Xinqi; HUANG Zhen; FANG Junhua

    2004-01-01

    Injection of fuel containing CO2 has potential to reduce NOx and soot emissions in a diesel engine. This paper presents an experimental study on the spray characteristics of fuel containing CO2 as measured by phase doppler anemometry (PDA). Experiments were performed under atmospheric conditions on diesel hole-type nozzles at constant injection pressure. Effects of CO2 concentration in diesel fuel on the spray pattern, droplet size and velocity were measured. Experimental results show that fuel atomization will improve greatly when the concentration of dissolved CO2 in the fuel exceeds the critical value. The axial and radial velocity of the fuel spray containing CO2 is larger than that of conventional diesel fuel spray near the nozzle exit due to flash boiling phenomena. Downstream of the spray, the radial velocity and droplet size of fuel containing CO2 is much more uniform and smaller than that of pure diesel spray. It is attributed to the greatly enhanced liquid-gas mixing resulting from flash separation of CO2 from the liquid. New insight into the atomization of the fuel containing CO2 was obtained and a possible mechanism to explain the phenomena was proposed. The method may be developed into a new technique for controlling diesel combustion and exhaust emissions.

  14. Operación de un PLC Mediante un PDA Vía ZIGBEE

    Directory of Open Access Journals (Sweden)

    Juan Zuluaga-Botero

    2015-07-01

    Full Text Available En este artículo se muestra la parte preliminar de interconexión de un módulo ZigBee con un Asistente Digital Personal (PDA a través de la red del Sistema de telefonía Móvil Global (GSM, para aplicación futura de comunicación con un Controlador Lógico Programable (PLC. Esta aplicación permite realizar monitoreo y control del sistema, de manera remota y con dispositivos móviles siendo el alcance del proyecto de investigación. Para este proyecto inicialmente se realizan comunicaciones que permiten empalmar las tecnologías de las redes de telefonía móvil celular con la red ZigBee, haciendo una interfaz transparente para el usuario, presentando dichos resultados en este artículo. Para esto se trabaja con tramas de datos básicas a través de la red de telefonía móvil celular, mediante mensajería corta recibida por el puerto serial del Zigbee remoto, utilizando microcontroladores para el control de los módulos que conforman esta parte del sistema de comunicación, estableciendo la interfaz con el dispositivo móvil o Smartphone vía Zigbee.

  15. Carotenoid composition of jackfruit (Artocarpus heterophyllus), determined by HPLC-PDA-MS/MS.

    Science.gov (United States)

    de Faria, A F; de Rosso, V V; Mercadante, A Z

    2009-06-01

    Carotenoids are pigments responsible for the yellow-reddish color of many foods and are related to important functions and physiological actions, preventing several chronic-degenerative diseases. The objective of this study was to confirm the carotenoid composition of jackfruit by high-performance liquid chromatography connected to photodiode array and mass spectrometry detectors (HPLC-PDA-MS/MS). The main carotenoids were all-trans-lutein (24-44%), all-trans-beta-carotene (24-30%), all-trans-neoxanthin (4-19%), 9-cis-neoxanthin (4-9%) and 9-cis-violaxanthin (4-10%). Either qualitative or quantitative differences, mainly related to the lutein proportion, were found among three batches of jackfruit. Since the fruits from batch A showed significantly lower contents for almost all carotenoids, it also had the lowest total carotenoid content (34.1 microg/100 g) and provitamin A value, whereas the total carotenoid ranged from 129.0 to 150.3 microg/100 g in the other batches. The provitamin A values from batches B and C were 3.3 and 4.3 microg RAE/100 g, respectively. The carotenoid composition of jackfruit was successfully determined, where 14 of the 18 identified carotenoids were reported for first time. Differences among batches may be due to genetic and/or agricultural factors.

  16. 对护士 PDA 移动护理信息系统使用压力及相关因素的调查%Survey on nurses,pressure of PDA usage and its related factors

    Institute of Scientific and Technical Information of China (English)

    肖倩; 吴瑛; 杨芳宇; 王艳玲; 季美华

    2014-01-01

    Objective This study investigated the nurses'pressure of PDA usage , analyzed its related factors, in order to provide the basis for extensive use of PDA , and to accelerate the process of nursing informatics .Methods Using convenience sampling method , 117 nurses of Beijing tertiary hospitals were surveyed.Results The mean score of pressure of nurses using PDA was (2.96 ±0.68), at a medium level of pressure .More than 70%of the nurses used PDA for six months or more , and 57 .3%of them used PDA well , and 41.9% of them liked to work using PDA.When first using PDA, 45.3% of nurses felt pressure.At present, 40 nurses (34.2%) showed relieving the pressure of PDA usage .Nurses of different ages, different working years , different computer skills level , liking to use PDA and proficiency in using PDA , showed statistically significant differences ( t =-2.329, -2.264,2.390,5.363,7.699, respectively;P <0.05). Conclusions We need to concern about the pressure of nurses using PDA in working , to further strengthen their awareness of the initiative , to carry out relevant training , to expand the range of applications and functions of PDA in clinical nursing work , and then to promote the development of nursing information .%目的:调查护理人员使用PDA移动护理信息系统过程中存在的压力,分析其相关因素,为PDA的进一步推广使用及提高使用效果提供参考。方法采用方便抽样的方法,采用自设问卷和PDA使用压力问卷对北京地区7家三级医院使用过PDA移动护理信息系统的117名护士进行调查。结果本组护士的PDA使用压力得分平均为(2.96±0.68)分,属于中等压力水平。70%以上的护士已有6个月以上的PDA使用经历,57.3%的护士已能熟练使用PDA进行工作,41.9%的护士喜欢在工作中使用PDA。45.3%的护士在初次接触PDA时感到有压力,34.2%表示目前使用PDA的压力较初次接触时有

  17. Enhancement of Users Call Logging facilities using Push Down Automata (PDA with Real Time Constraint Notation (RTCN

    Directory of Open Access Journals (Sweden)

    Vivek Kr. Singh

    2012-05-01

    Full Text Available This paper highlights the use of Push - Down Automata (PDA in storing and maintaining the call logs. The special feature about this paper is to maintain incoming call record from the different mobile service provider in a mobile in clustered way to the user. It focuses on real time constraint notation being applied to the push down automata for formal verification of the model.

  18. The Development of a Patient-Identification-Oriented Nursing Shift Exchange Support System Using Wireless RFID PDA Techniques

    OpenAIRE

    Huang, Pin-Jen; She, Chien-Cheng; Chang, Polun

    2005-01-01

    The objectives of this study were to technically testing the feasibility of combining RFID and PDA technologies in nursing care and to develop a support system for the nursing shift exchange, which featured with “Positive Patient Identification” and “Point of Care” for patient’s safety and security. The most challenging part for the future work would be to embed the system into the real workflow. Future study would be to examine the practical effectiveness of the system....

  19. Twelve Theses on Reactive Rules for the Web

    OpenAIRE

    Bry, François; Eckert, Michael

    2007-01-01

    Reactivity, the ability to detect and react to events, is an essential functionality in many information systems. In particular, Web systems such as online marketplaces, adaptive (e.g., recommender) sys- tems, and Web services, react to events such as Web page updates or data posted to a server. This article investigates issues of relevance in designing high-level programming languages dedicated to reactivity on the Web. It presents twelve theses on features desira...

  20. Probabilistic Design Analysis (PDA) Approach to Determine the Probability of Cross-System Failures for a Space Launch Vehicle

    Science.gov (United States)

    Shih, Ann T.; Lo, Yunnhon; Ward, Natalie C.

    2010-01-01

    Quantifying the probability of significant launch vehicle failure scenarios for a given design, while still in the design process, is critical to mission success and to the safety of the astronauts. Probabilistic risk assessment (PRA) is chosen from many system safety and reliability tools to verify the loss of mission (LOM) and loss of crew (LOC) requirements set by the NASA Program Office. To support the integrated vehicle PRA, probabilistic design analysis (PDA) models are developed by using vehicle design and operation data to better quantify failure probabilities and to better understand the characteristics of a failure and its outcome. This PDA approach uses a physics-based model to describe the system behavior and response for a given failure scenario. Each driving parameter in the model is treated as a random variable with a distribution function. Monte Carlo simulation is used to perform probabilistic calculations to statistically obtain the failure probability. Sensitivity analyses are performed to show how input parameters affect the predicted failure probability, providing insight for potential design improvements to mitigate the risk. The paper discusses the application of the PDA approach in determining the probability of failure for two scenarios from the NASA Ares I project

  1. 指纹识别PDA的设计与实现%Design and Implementation of Fingerprint Identification PDA

    Institute of Scientific and Technical Information of China (English)

    莫向阳

    2014-01-01

    PDA是一种轻便、灵巧,具有很强的可移动性的设备,随着指纹技术的发展。其已经在金融保险、门禁、身份识别等领域得到了广泛的应用,详细地分析了指纹识别PDA设计的功能,并且详细地分析了指纹采集、指纹预处理、指纹特征提取、指纹识别等核心技术,设计实现了一个功能强大的指纹识别PDA。%PDA is a lightweight, flexible,ambulant equipment. With the development of fingerprint technology,it has been widely used in the field of finance and insurance, access control,identity recognition.This paper makes a detailed analysis of the fingerprint identification PDA design features,and detailed analysis of the fingerprint acquisition,fingerprint preprocessing,fingerprint feature extraction, fingerprint identification,core technology,and designing and implementation the powerful fingerprint identification PDA .

  2. Rapid access to information resources in clinical biochemistry: medical applications of Personal Digital Assistants (PDA).

    Science.gov (United States)

    Serdar, Muhittin A; Turan, Mustafa; Cihan, Murat

    2008-06-01

    Laboratory specialists currently need to access scientific-based information at anytime and anywhere. A considerable period of time and too much effort are required to access this information through existing accumulated data. Personal digital assistants (PDA) are supposed to provide an effective solution with commercial software for this problem. In this study, 11 commercial software products (UpToDate, ePocrates, Inforetrive, Pepid, eMedicine, FIRST Consult, and 5 laboratory e-books released by Skyscape and/or Isilo) were selected and the benefits of their use were evaluated by seven laboratory specialists. The assessment of the software was performed based on the number of the tests included, the software content of detailed information for each test-like process, method, interpretation of results, reference ranges, critical values, interferences, equations, pathophysiology, supplementary technical details such as sample collection principles, and additional information such as linked references, evidence-based data, test cost, etc. In terms of technique, the following items are considered: the amount of memory required to run the software, the graphical user interface, which is a user-friendly instrument, and the frequency of new and/or up-date releases. There is still no perfect program, as we have anticipated. Interpretation of laboratory results may require software with an integrated program. However, methodological data are mostly not included in the software evaluated. It seems that these shortcomings will be fixed in the near future, and PDAs and relevant medical applications will also become indispensable for all physicians including laboratory specialists in the field of training/education and in patient care.

  3. Wireless-PDA-controlled image workflow from PACS: the next trend in the health care enterprise?

    Science.gov (United States)

    Erberich, Stephan G.; Documet, Jorge; Zhou, Michael Z.; Cao, Fei; Liu, Brent J.; Mogel, Greg T.; Huang, H. K.

    2003-05-01

    Image workflow in today's Picture Archiving and Communication Systems (PACS) is controlled from fixed Display Workstations (DW) using proprietary control interfaces. A remote access to the Hospital Information System (HIS) and Radiology Information System (RIS) for urgent patient information retrieval does not exist or gradually become available. The lack for remote access and workflow control for HIS and RIS is especially true when it comes to medical images of a PACS on Department or Hospital level. As images become more complex and data sizes expand rapidly with new image techniques like functional MRI, Mammography or routine spiral CT to name a few, the access and manageability becomes an important issue. Long image downloads or incomplete work lists cannot be tolerated in a busy health care environment. In addition, the domain of the PACS is no longer limited to the imaging department and PACS is also being used in the ER and emergency care units. Thus a prompt and secure access and manageability not only by the radiologist, but also from the physician becomes crucial to optimally utilize the PACS in the health care enterprise of the new millennium. The purpose of this paper is to introduce a concept and its implementation of a remote access and workflow control of the PACS combining wireless, Internet and Internet2 technologies. A wireless device, the Personal Digital Assistant (PDA), is used to communicate to a PACS web server that acts as a gateway controlling the commands for which the user has access to the PACS server. The commands implemented for this test-bed are query/retrieve of the patient list and study list including modality, examination, series and image selection and pushing any list items to a selected DW on the PACS network.

  4. Hierarchical core-shell SiO2@PDA@BiOBr microspheres with enhanced visible-light-driven photocatalytic performance.

    Science.gov (United States)

    Zhu, Shuai-Ru; Qi, Qi; Zhao, Wen-Na; Wu, Meng-Ke; Fang, Yuan; Tao, Kai; Yi, Fei-Yan; Han, Lei

    2017-08-29

    To explore catalysts combining highly accessible specific surface areas with low recombination of the photo-induced electron-hole pairs, a novel SiO2@PDA@BiOBr composite photocatalyst with a hierarchical core-shell structure was prepared by a facile solvothermal method. The catalyst shows a superior performance on photodegradation of Rhodamine B under visible light irradiation, especially for SiO2@PDA-2@BiOBr with the reactant kinetics constant (k = 0.0487 min(-1)). The enhanced photocatalytic performance of SiO2@PDA-2@BiOBr was ascribed to the decreased band-gap, higher surface area, and effectively photo-generated electron-hole pairs by the introduction of polydopamine (PDA). In addition, the photocatalytic degradation is initiated by ˙O2(-) derived from dye photosensitization and h(+) from the BiOBr. Cyclic experiments also indicate that the SiO2@PDA-2@BiOBr is reusable during the photodegradation process. The hierarchical core-shell SiO2@PDA@BiOBr photocatalyst will provide a theoretical model for the development of physical chemistry and structural properties of BiOBr-based composites to enhance the photocatalytic performances.

  5. The twelve theses: a call to a new reformation

    Directory of Open Access Journals (Sweden)

    John Shelby Spong

    2015-03-01

    Full Text Available With every discovery emerging from the world of science over the last 500 years concerning the origins of the universe and of life itself, the traditional explanations offered by the Christian Church appeared to be more and more dated and irrelevant.  Christian leaders, unable to embrace the knowledge revolution seemed to believe  that the only way to save Christianity was not to disturb the old patterns either by listening to, much less by entertaining the new knowledge. I tried to articulate this challenge in a book entitled: Why Christianity Must Change or Die, published in 1998.  In that book I examined in detail the issues that I was convinced Christianity must address. Shortly after that book was published I reduced its content to twelve theses, which I attached in Luther-like fashion to the great doors on the Chapel of Mansfield College at Oxford University in the United Kingdom. I then mailed copies of those Twelve Theses to every acknowledged Christian leader of the world. It was an attempt to call them into a debate on the real issues that I was certain the Christian Church now faced.  I framed my twelve theses in the boldest, most provocative language possible, designed primarily to elicit response and debate. I welcome responses from Christians everywhere.  I claim no expertise or certainty in developing answers, but I am quite confident that I do understand the problems we are facing as Christians who are seeking to relate to the 21st century.

  6. Promoting Real-Time Science in the Classroom using Wireless PDA Technology

    Science.gov (United States)

    Matusow, David; Sparmo, Joe; Weidow, Dave; Obenschain, Arthur F. (Technical Monitor)

    2002-01-01

    The year is 2004, NASA has landed and deployed a fleet of rovers on the surface of Mars to continue the exploration of that planet and prepare the way for human visitors. Middle school students at Milton Elementary have been following the mission through the media and Internet as part of Mr. Johnson's Earth and space sciences class. The kids have been working in teams to track the rovers as they move across the surface of Mars on a scale model of the landing site they built from sand and rocks using pictures and video downloaded from the Internet. They also built their own version of a rover that can be driven around the model. The time is 3:36pm. Jim and a couple of his fellow students from class are sitting in the cafeteria waiting for a student council meeting to begin. Mary and several others are on the bus riding home. Kathy is in her father's car waiting to leave the parking lot. On Mars, Rover-3 has just stopped and issued an alert to ground control at NASA's Jet Propulsion Laboratory (JPL). Back at Milton Elementary chimes can be heard going off in the cafeteria, on the school bus, and in Kathy's car. The students are familiar with the drill and each brings up the Mars mission status display on their hand-held PDA device. They've been using their PDAs (those Palm devices that seem to be everywhere today) to obtain real-time position information for each of the rovers throughout the mission. The mission status display tells them that Rover-3 has stopped on the edge of a small gully and isn't quite sure what to do. The students begin considering the options amongst themselves. Should the rover just drive through the gully? If it does, what happens if it gets stuck? Maybe it should turnaround and look for away around the gully? Trough questions. Real questions. Real problems. The students know they will need to be prepared to discuss the options and conduct their own simulations using the models they built in Mr. Johnson's class tomorrow. Much the same way

  7. Phytochemical analysis of Vernonanthura tweedieana and a validated UPLC-PDA method for the quantification of eriodictyol

    Directory of Open Access Journals (Sweden)

    Layzon Antonio Lemos da Silva

    2015-08-01

    Full Text Available AbstractVernonanthura tweedieana (Baker H. Rob., Asteraceae, is used in the Brazilian folk medicine for the treatment of respiratory diseases. In this work the phytochemical investigation of its ethanol extracts as well as the development and validation of an UPLC-PDA method for the quantification of the eriodictyol from the leaves were performed. The phytochemical study for this species lead to the identification of ethyl caffeate, naringenin and chrysoeriol in mixture, eriodictyol from leaves, and the mixture of 3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl-propan-1-one and evofolin B, apigenin, the mixture of caffeic and protocatechuic acid and luteolin from stems with roots, being reported for the first time for V. tweedieana, except for eriodictyol. The structural elucidation of all isolated compounds was achieved by 1H and 2D NMR spectroscopy, and in comparison with published data. An UPLC-PDA method for quantification of the eriodictyol in leaves of V. tweedieana was developed and validated for specificity, linearity, precision (repeatability and intermediate precision, limit of detection (LOD and limit of quantification (LOQ, accuracy and robustness. In this study, an excellent linearity was obtained (r2 = 0.9999, good precision (repeatability RSD = 2% and intermediate precision RSD = 8% and accuracy (average recovery from 98.6% to 99.7%. The content of eriodictyol in the extract of leaves of V. tweedieana was 41.40 ± 0.13 mg/g. Thus, this study allowed the optimization of a simple, fast and validated UPLC-PDA method which can be used to support the quality assessment of this herbal material.

  8. Application of Hplc-Pda Method Using Two Different Extraction Procedures for the Determination of Alkylresorcinols in Cereals

    Directory of Open Access Journals (Sweden)

    Gailāne Natālija

    2015-09-01

    Full Text Available Cereals, especially barley, are an important source of vitamins, minerals, dietary fibre and various phytochemicals, such as alkylresorcinols (ARs. Cereal ARs are a group of phenolic lipids located in the outer parts of grain, particularly in rye and wheat, but not found in refined flour or in refined products from cereals. This study focuses on the comparison of different extraction procedures applied for the determination of the content of ARs (C15:0 - C23:0 in grain of Latvian barley genotypes. The content of ARs in 1 rye and 16 barley samples grown with different amounts of fertilier was determined by High Performance Liquid Chromatography method with Photodiode Array detection (HPLC-PDA developed by us. Two different extraction methods were compared: accelerated Soxhlet extraction and 24-hour extraction. Aside from validation of the extraction procedures, validation parameters for the HPLC-PDA based quantitation method were provided. The coefficients of variation for repeatability and intermediate precision were < 9% and < 3%, respectively. The content of ARs determined with the HPLC-PDA method in conjunction with accelerated Soxhlet extraction was up to 1.5 times higher than using 24-hour extraction. AR content varied from 2.11 ± 0.04 to 3.80 ± 0.10 mg·100 g-1 for 24-hour extraction and from 2.66 ± 0.06 to 5.70 ± 0.20 mg·100 g-1 for accelerated Soxhlet extraction, indicating the increased efficiency of this procedure in analysis of ARs.

  9. Synthesis, Crystal Structure and Photoluminescent Property of Cadmium(II) Metal-organic Framework with Mixed Carboxylate and Bis(imidazole) Ligand

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Yong Hong [Huaibei Normal Univ., Huaibei (China); Tian, Yu Peng [Anhui Univ., Hefei (China)

    2013-09-15

    The rational design and appropriate use of the characteristic ligands is critical in the construction of the desired MOFs. Among various organic ligands, multidentate N- or O-donor ligands such as pyridine or pyrazine-carboxylic acids, have drawn extensive attention in the construction of coordination polymers owing to their versatile coordination modes and structural stability.7 For example, pyridine-2,6-, 2,5-, or 3,4-dicarboxylic and pyra-zile-2,3-dicarboxylic acids have been employed as successful multifunctional ligands, and a variety of MOFs with diverse topologies and interesting properties have been obtained. However, compared with other pyridine-dicarboxylic acids, pyridine-2,3-dicarboxylic acid (H{sub 2}PDA) is rarely employed as a linkage ligand.

  10. Synthesis, characterization, and gas permeation properties of 6FDA-2,6-DAT/mPDA copolyimides

    Institute of Scientific and Technical Information of China (English)

    Lina WANG; Yiming CAO; Meiqing ZHOU; Xiaozhi QIU; Quan YUAN

    2009-01-01

    The goal of this work is to explore new polyimide materials that exhibit both high permeability and high selectivity for specific gases. Copolyimides offer the possibility of preparing membranes with gas permeabilities and selectivities not obtainable with homopolyi-mides. A series of novel fluorinated copolyimides were synthesized with various diamine compositions by chemical imidization in a two-pot procedure. Polyamic acids were prepared by stoichiometric addition of solid dianhy-dride in portions to the diamine(s). The gas permeation behavior of 2,2'-bis(3,4'-dicarboxyphenyl) hexafluoro-propane dianhydride(6FDA)-2,6-diamine toluene (2,6-DAT)/ 1,3-phenylenediamine (mPDA) polyimides was investigated. The physical properties of the copolyimides were characterized by IR, DSC and TGA. The glass transition temperature increased with increase in 2,6-DAT content. All the copolyimides were soluble in most of the common solvents. The gas permeability coefficients decreased with increasing mPDA content. However, the permselectivity of gas pairs such as H2/N2, O2/N2, and CO2/CH4 was enhanced with the incorporation of mPDA moiety. The permeability coefficients of H2, O2, N2, CO2 and CH4 were found to decrease with the increasing order of kinetic diameters of the penetrant gases. 6FDA-2,6-DAT/mPDA (3:1) copolyimide and 6FDA-2,6-DAT polyimide had high separation properties for H2/N2, O2/N2, CO2/CH4. Their H2, O2 and CO2 permeability coefficients were 64.99 Barrer, 5.22 Barrer, 23.87 Barrer and 81.96 Barrer, 8.83 Barrer, 39.59 Barrer, respectively, at 35℃ and 0.2 MPa (1 Barrer =T-10cm3 (STP)·cm·cm-2·s1·cmHg 1) and their ideal permselectivities of H2/N2, O2/N2 and CO2/CH4 were 69.61, 6.09, 63.92 and 53.45, 5.76, 57.41, respectively. Moreover, all of the copolyimides studied in this work exhibited similar performance, lying on or above the existing upper bound trade-off lines between permselectivity and permeability. They may be utilized for commercial gas separation

  11. PGMS: A Case Study of Collecting PDA-Based Geo-Tagged Malaria-Related Survey Data.

    OpenAIRE

    Zhou, Y; Lobo, NF; Wolkon, A; Gimnig, JE; Malishee, A; Stevenson, J; Sulistyawati,; Collins, FH; Madey, G

    2014-01-01

    : Using mobile devices, such as personal digital assistants (PDAs), smartphones, tablet computers, etc., to electronically collect malaria-related field data is the way for the field questionnaires in the future. This case study seeks to design a generic survey framework PDA-based geo-tagged malaria-related data collection tool (PGMS) that can be used not only for large-scale community-level geo-tagged electronic malaria-related surveys, but also for a wide variety of electronic data collecti...

  12. The development and evaluation of a PDA-based method for public health surveillance data collection in developing countries

    DEFF Research Database (Denmark)

    Yu, Ping; de Courten, Maximilian; Pan, Elaine;

    2009-01-01

    EpiData and Epi Info are often used together by public health agencies around the world, particularly in developing countries, to meet their needs of low-cost public health data management; however, the current open source data management technology lacks a mobile component to meet the needs...... of mobile public health data collectors. The goal of this project is to explore the opportunity of filling this gap through developing and trial of a personal digital assistant (PDA) based data collection/entry system. It evaluated whether such a system could increase efficiency and reduce data...... transcription errors for public surveillance data collection in developing countries represented by Fiji....

  13. LC-PDA-ESI/MS identification of the phenolic components of three compositae spices: chamomile, tarragon, and Mexican arnica.

    Science.gov (United States)

    Lin, Long-Ze; Harnly, James M

    2012-06-01

    Chamomile (Matricaria chamomilla L.), tarragon (Artemisia dracunculus L.) and Mexican arnica (Heterotheca inuoides) are common compositae spices and herbs found in the US market. They contain flavonoids and hydroxycinnamates that are potentially beneficial to human health. A standardized LC-PDA-ESI/MS profiling method was used to identify 51 flavonoids and 17 hydroxycinnamates. Many of the identifications were confirmed with authentic standards or through references in the literature or the laboratory's database. More than half of the phenol compounds for each spice had not been previously reported. The phenolic profile can be used for plant authentication and to correlate with biological activities.

  14. Twelve tips for teaching medical students with dyslexia.

    Science.gov (United States)

    Shaw, Sebastian Charles Keith; Anderson, John Leeds

    2017-07-01

    Dyslexia is a common learning difficulty. As a result of SS' own experiences as a medical student with dyslexia, we have been researching and teaching on this topic for the past two years. Here, we present twelve tips for teaching medical students with dyslexia. These are gathered from our personal experiences and research, discussions with other educators, and wider literature on the topic. This article aims to shed some light on dyslexia, and also to make practical suggestions. Teaching students with dyslexia should not be a daunting experience. Small changes to existing methods, at minor effort, can make a difference - for example, adding pastel colors to slide backgrounds or avoiding Serif fonts. These tips can help educators gain more insight into dyslexia and incorporate small, beneficial adaptations into their teaching.

  15. Antibacterial activities of extracts from twelve Centaurea species from Turkey

    Directory of Open Access Journals (Sweden)

    Tekeli Yener

    2011-01-01

    Full Text Available Members of the genus Centaurea (Asteraceae have been used in traditional plant-based medicine. The methanol extracts of twelve Centaurea species, of which five are endemic to Turkey flora, were screened for antibacterial activity against four bacteria (Escherichia coli, Bacillus cereus, Salmonella enteritidis, Staphylococcus aureus. The antibacterial activity was evaluated by the microdilution method and the minimum inhibition concentrations (MIC of the extracts were determined. C. cariensis subsp. microlepis exhibited an antimicrobial effect on all tested microorganisms. The extracts from eight Centaurea species (C. balsamita, C. calolepis, C. cariensis subsp. maculiceps, C. cariensis subsp. microlepis, C. kotschyi var. kotschyi, C. solstitialis subsp. solstitialis, C. urvillei subsp. urvillei and C. virgata possessed antibacterial activity against several of the tested microorganisms.

  16. Twelve tips on how to compile a medical educator's portfolio.

    Science.gov (United States)

    Dalton, Claudia Lucy; Wilson, Anthony; Agius, Steven

    2017-09-17

    Medical education is an expanding area of specialist interest for medical professionals. Whilst most doctors will be familiar with the compilation of clinical portfolios for scrutiny of their clinical practice and provision of public accountability, teaching portfolios used specifically to gather and demonstrate medical education activity remain uncommon in many non-academic settings. For aspiring and early career medical educators in particular, their value should not be underestimated. Such a medical educator's portfolio (MEP) is a unique compendium of evidence that is invaluable for appraisal, revalidation, and promotion. It can stimulate and provide direction for professional development, and is a rich source for personal reflection and learning. We recommend that all new and aspiring medical educators prepare an MEP, and suggest twelve tips on how to skillfully compile one.

  17. Spectroscopy of twelve Type Ia supernovae at intermediate redshift

    CERN Document Server

    Balland, C; Pain, R; Walton, N A; Amanullah, R; Astier, Pierre; Ellis, Richard S; Fabbro, S; Goobar, A; Hardin, D; Hook, I M; Irwin, M J; McMahon, R M; Mendez, J M; Ruiz-Lapuente, P; Sainton, G; Schahmaneche, K; Stanishev, V

    2005-01-01

    We present spectra of twelve Type Ia supernovae obtained in 1999 at the William Herschel Telescope and the Nordic Optical Telescope during a search for Type Ia supernovae (SN Ia) at intermediate redshift. The spectra range from z=0.178 to z=0.493, including five high signal-to-noise ratio SN Ia spectra in the still largely unexplored range 0.15 < z < 0.3. Most of the spectra were obtained before or around restframe B-band maximum light. None of them shows the peculiar spectral features found in low-redshift over- or under-luminous SN Ia. Expansion velocities of characteristic spectral absorption features such as SiII at 6355 angs., SII at 5640 angs. and CaII at 3945 angs. are found consistent with their low-z SN Ia counterparts.

  18. Quality evaluation and pattern recognition analyses of marker compounds from five medicinal drugs of Rutaceae family by HPLC/PDA.

    Science.gov (United States)

    Zhao, Bing Tian; Kim, Eun Jung; Son, Kun Ho; Son, Jong Keun; Min, Byung Sun; Woo, Mi Hee

    2015-08-01

    To establish a standard of quality control and to identify different origins for the Rutaceae family [Citri Unshiu Peel (CU), Citri Unshiu Immature Peel (CI), Ponciri Immature Fructus (PI), Aurantii Immature Fructus (AI), and Aurantii Fructus (AU)], 13 standards including rutin (1), narirutin (2), naringin (3), hesperidin (4), neohesperidin (5), neoponcirin (6), poncirin (7), naringenin (8), isosinensetin (9), sinensetin (10), nobiletin (11), heptamethoxyflavone (12), and tangeretin (13) were determined by high performance liquid chromatography (HPLC)/photo-diode array (PDA) analysis. A YMC ODS C18 (250 × 4.6 mm, 5 µm) column was used and the ratio of mobile phases of water (A) and acetonitrile (B) delivered to the column for gradient elution was applied. This method was fully validated with respect to linearity, accuracy, precision, stability, and robustness. The HPLC/PDA method was applied successfully to quantify 13 major compounds in the extracts of CU, CI, PI, AI, and AU. The pattern recognition analysis combined with LC chromatographic data was performed by repeated analysis of 27 reference samples in the above five Rutaceae oriental medicinal drugs. The established HPLC method was rapid and reliable for quantitative analysis and quality control of multiple components in five Rutaceae species with different origins.

  19. Ligand modeling and design

    Energy Technology Data Exchange (ETDEWEB)

    Hay, B.P. [Pacific Northwest National Lab., Richland, WA (United States)

    1997-10-01

    The purpose of this work is to develop and implement a molecular design basis for selecting organic ligands that would be used in the cost-effective removal of specific radionuclides from nuclear waste streams. Organic ligands with metal ion specificity are critical components in the development of solvent extraction and ion exchange processes that are highly selective for targeted radionuclides. The traditional approach to the development of such ligands involves lengthy programs of organic synthesis and testing, which in the absence of reliable methods for screening compounds before synthesis, results in wasted research effort. The author`s approach breaks down and simplifies this costly process with the aid of computer-based molecular modeling techniques. Commercial software for organic molecular modeling is being configured to examine the interactions between organic ligands and metal ions, yielding an inexpensive, commercially or readily available computational tool that can be used to predict the structures and energies of ligand-metal complexes. Users will be able to correlate the large body of existing experimental data on structure, solution binding affinity, and metal ion selectivity to develop structural design criteria. These criteria will provide a basis for selecting ligands that can be implemented in separations technologies through collaboration with other DOE national laboratories and private industry. The initial focus will be to select ether-based ligands that can be applied to the recovery and concentration of the alkali and alkaline earth metal ions including cesium, strontium, and radium.

  20. 基于STM32处理器的数字PDA系统设计%Design of digital PDA system based on STM32 processor

    Institute of Scientific and Technical Information of China (English)

    胡锦霖; 曾上游; 王亮; 戴伟

    2012-01-01

    The digital PDA system contains hardware circuit and software system. The hardware circuit is composed of the peripheral circuits of PDA controlled by the low power ARM microcontroller STM32ZET6. The software system is composed of hardware drive program, real-time operating system , file system FATFS and GUI. The digital PDA system integrates the software system, and provides a method based on the page, which is a thread, and utilize the semaphore and mailbox mechanism to switch tasks between multiple threads. The design of the page mechanism is adopted in the PDA system to reduce the amount of the code modification when the PDA system adds application program, and improve the stability of PDA software system and the development speed of application program.%数字PDA系统整体由硬件电路和软件系统2部分组成,硬件电路由低功耗ARM微控制器STM32ZET6控制的PDA外围电路组成,软件系统则由硬件驱动程序、μC/OS-Ⅱ实时操作系统、FATFS文件系统、GUI等部分组成.数字PDA系统将整个软件系统进行了整合,提供一种基于页的机制方法,即每页都是一个线程,利用μC/OS-Ⅱ的信号量、邮箱机制实现多线程之间的任务切换.PDA系统采用页机制的设计,旨在减少增加应用程序时代码的修改量和提高整个PDA软件系统的稳定性,以及提高应用程序的开发速度.

  1. Spectroscopic Studies of a Three-dimensional, Five-coordinated Copper(Ⅱ) Complex via Hydrogen Bonds: [Cu(PDA)(H2O)2](H2PDA=Pyridine-2,6-dicarboxylic Acid)

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A new copper(Ⅱ) complex [Cu(PDA)(H2O)2] was synthesized and its structure was determined. Cu(Ⅱ) is five-coordinated in a tetragonal pyramid geometry. The two coordinating water molecules are different and the two Cu-O bond lengths differ by nearly 0.02 nm. The whole crystal is linked to form a three-dimensional network by means of hydrogen bonds. The X-band ESR spectrum shows three different g tensors with a well-resolved hyperfine structure in the gz signal, giving the ESR parameters gx=2.05, gy=2.065 and gz=2.29. The covalency of the coordinate bonds and the deviation from tetragonal pyramid geometry for the complex are discussed based on the ESR spectra.

  2. Twelve novel Atm mutations identified in Chinese ataxia telangiectasia patients.

    Science.gov (United States)

    Huang, Yu; Yang, Lu; Wang, Jianchun; Yang, Fan; Xiao, Ying; Xia, Rongjun; Yuan, Xianhou; Yan, Mingshan

    2013-09-01

    Ataxia telangiectasia (A-T) is an autosomal recessive disease characterized mainly by progressive cerebellar ataxia, oculocutaneous telangiectasia, and immunodeficiency. This disease is caused by mutations of the ataxia telangiectasia mutated (Atm) gene. More than 500 Atm mutations that are responsible for A-T have been identified so far. However, there have been very few A-T cases reported in China, and only two Chinese A-T patients have undergone Atm gene analysis. In order to systemically investigate A-T in China and map their Atm mutation spectrum, we recruited eight Chinese A-T patients from six unrelated families nationwide. Using direct sequencing of genomic DNA and the multiplex ligation-dependent probe amplification, we identified twelve pathogenic Atm mutations, including one missense, four nonsense, five frameshift, one splicing, and one large genomic deletion. All the Atm mutations we identified were novel, and no homozygous mutation and founder-effect mutation were found. These results suggest that Atm mutations in Chinese populations are diverse and distinct largely from those in other ethnic areas.

  3. Oral papillary squamous cell carcinoma in twelve dogs.

    Science.gov (United States)

    Nemec, A; Murphy, B G; Jordan, R C; Kass, P H; Verstraete, F J M

    2014-01-01

    Papillary squamous cell carcinoma (PSCC) is a distinct histological subtype of oral squamous cell carcinoma (SCC), described in both dogs and man. In dogs, PSCC has long been considered a malignant oral tumour of very young animals, but it has recently been reported to occur in adult dogs as well. The aim of this study was to describe the major clinicopathological characteristics of canine oral PSCC (COPSCC). Twelve dogs diagnosed with COPSCC were included in this retrospective study (1990-2012). The majority (75%) of the dogs were >6 years of age (median age 9 years). All tumours were derived from the gingiva of dentate jaws, with 66.7% affecting the rostral aspects of the jaws. The gross appearance of the lesions varied, with one having an intraosseous component only. The majority (91.7%) of the tumours were advanced lesions (T2 and T3), but no local or distant metastases were noted. Microscopically, two patterns were seen: (1) invasion of bone forming a cup-shaped indentation in the bone or a deeply cavitating cyst within the bone (cavitating pattern), (2) histologically malignant growth, but lack of apparent bone invasion (non-cavitating pattern). The microscopical appearance corresponded to imaging findings in a majority of cases, with cavitating forms presenting with a cyst-like pattern of bone loss or an expansile mass on imaging and non-cavitating forms showing an infiltrative pattern of bone destruction on imaging. These features suggest two distinct biological behaviours of COPSCC.

  4. Sensitivity and growth of twelve Elatior begonia cultivars to ozone

    Energy Technology Data Exchange (ETDEWEB)

    Reinert, R.A.; Nelson, P.V.

    1979-12-01

    Twelve cultivars of Elatior begonia (Begonia X hiemalis Fotsch.) were exposed to O/sub 3/ at 25 and 50 pphM. The 'Schwabenland' group, 'Whisper 'O' Pink', and 'Improved Krefeld Orange' were the most sensitive, whereas 'Ballerina', 'Mikkell Limelight', and 'Turo' were the least sensitive. 'Rennaisance', 'Heirloom' 'Nixe', and 'Fantasy' were intermediate in sensitivity. The dry weight of foliage (stems plus leaves) of 9 cultivars exposed to O/sub 3/ was significantly less than that of control plants. Ozone at 25 and 50 pphM inhibited flower growth (including peduncles) and development in 4 and 8 of the 12 cultivars, respectively. Differences in flower weight ranged from 43 to 105% of the control at 25 pphM and from 25 to 98% of the control at 50 pphM, depending on cultivar. 1 table.

  5. Twelve tips for designing and running longitudinal integrated clerkships.

    Science.gov (United States)

    Ellaway, Rachel; Graves, Lisa; Berry, Sue; Myhre, Doug; Cummings, Beth-Ann; Konkin, Jill

    2013-12-01

    Longitudinal integrated clerkships (LICs) involve learners spending an extended time in a clinical setting (or a variety of interlinked clinical settings) where their clinical learning opportunities are interwoven through continuities of patient contact and care, continuities of assessment and supervision, and continuities of clinical and cultural learning. Our twelve tips are grounded in the lived experiences of designing, implementing, maintaining, and evaluating LICs, and in the extant literature on LICs. We consider: general issues (anticipated benefits and challenges associated with starting and running an LIC); logistical issues (how long each longitudinal experience should last, where it will take place, the number of learners who can be accommodated); and integration issues (how the LIC interfaces with the rest of the program, and the need for evaluation that aligns with the dynamics of the LIC model). Although this paper is primarily aimed at those who are considering setting up an LIC in their own institutions or who are already running an LIC we also offer our recommendations as a reflection on the broader dynamics of medical education and on the priorities and issues we all face in designing and running educational programs.

  6. Commercializing Government-sponsored Innovations: Twelve Successful Buildings Case Studies

    Science.gov (United States)

    Brown, M. A.; Berry, L. G.; Goel, R. K.

    1989-01-01

    This report examines the commercialization and use of R and D results funded by DOE's Office of Buildings and Community Systems (OBCS), an office that is dedicated to improving the energy efficiency of the nation's buildings. Three goals guided the research described in this report: to improve understanding of the factors that hinder or facilitate the transfer of OBCS R and D results, to determine which technology transfer strategies are most effective and under what circumstances each is appropriate, and to document the market penetration and energy savings achieved by successfully-commercialized innovations that have received OBCS support. Twelve successfully-commercialized innovations are discussed here. The methodology employed involved a review of the literature, interviews with innovation program managers and industry personnel, and data collection from secondary sources. Six generic technology transfer strategies are also described. Of these, contracting R and D to industrial partners is found to be the most commonly used strategy in our case studies. The market penetration achieved to date by the innovations studied ranges from less than 1% to 100%. For the three innovations with the highest predicted levels of energy savings (i.e., the flame retention head oil burner, low-E windows, and solid-state ballasts), combined cumulative savings by the year 2000 are likely to approach 2 quads. To date the energy savings for these three innovations have been about 0.2 quads. Our case studies illustrate the important role federal agencies can play in commercializing new technologies.

  7. The strong coupling regime of twelve flavors QCD

    CERN Document Server

    da Silva, Tiago Nunes

    2012-01-01

    We summarize the results recently reported in Ref.[1] [A. Deuzeman, M.P. Lombardo, T. Nunes da Silva and E. Pallante,"The bulk transition of QCD with twelve flavors and the role of improvement"] for the SU(3) gauge theory with Nf=12 fundamental flavors, and we add some numerical evidence and theoretical discussion. In particular, we study the nature of the bulk transition that separates a chirally broken phase at strong coupling from a chirally restored phase at weak coupling. When a non-improved action is used, a rapid crossover is observed at small bare quark masses. Our results confirm a first order nature for this transition, in agreement with previous results we obtained using an improved action. As shown in Ref.[1], when improvement of the action is used, the transition is preceded by a second rapid crossover at weaker coupling and an exotic phase emerges, where chiral symmetry is not yet broken. This can be explained [1] by the non hermiticity of the improved lattice Transfer matrix, arising from the c...

  8. Analytical power of LLE-HPLC-PDA-MS/MS in drug metabolism studies: identification of new nabumetone metabolites.

    Science.gov (United States)

    Nobilis, Milan; Mikušek, Jiří; Szotáková, Barbora; Jirásko, Robert; Holčapek, Michal; Chamseddin, Chamseddin; Jira, Thomas; Kučera, Radim; Kuneš, Jiří; Pour, Milan

    2013-06-01

    Nabumetone is a non-acidic, nonsteroidal anti-inflammatory prodrug. Following oral administration, the prodrug is converted in the liver to 6-methoxy-2-naphthylacetic acid (6-MNA), which was found to be the principal metabolite responsible for the NSAID effect. The pathway of nabumetone transformation to 6-MNA has not been clarified, with no intermediates between nabumetone and 6-MNA having been identified to date. In this study, a new, as yet unreported phase I metabolite was discovered within the evaluation of nabumetone metabolism by human and rat liver microsomal fractions. Extracts from the biomatrices were subjected to chiral LLE-HPLC-PDA and achiral LLE-UHPLC-MS/MS analyses to elucidate the chemical structure of this metabolite. UHPLC-MS/MS experiments detected the presence of a structure corresponding to elemental composition C15H16O3, which was tentatively assigned as a hydroxylated nabumetone. Identical nabumetone and HO-nabumetone UV spectra obtained from the PDA detector ruled out the presence of the hydroxy group in the aromatic moiety of nabumetone. Hence, the most likely structure of the new metabolite was 4-(6-methoxy-2-naphthyl)-3-hydroxybutan-2-one (3-hydroxy nabumetone). To confirm this structure, the standard of this nabumetone metabolite was synthesized, its spectral (UV, CD, NMR, MS/MS) and retention properties on chiral and achiral chromatographic columns were evaluated and compared with those of the authentic nabumetone metabolite. To elucidate the subsequent biotransformation of 3-hydroxy nabumetone, the compound was used as a substrate in incubation with human and rat liver microsomal fraction. A number of 3-hydroxy nabumetone metabolites (products of conjugation with glucuronic acid, O-desmethylation, carbonyl reduction and their combination) were discovered in the extracts from the incubated microsomes using LLE-HPLC-PDA-MS/MS experiments. On the other hand, when 3-hydroxy nabumetone was incubated with isolated rat hepatocytes, 6-MNA was

  9. 基于 PDA 的 CPⅢ轨道控制网数据采集系统的设计与实现%Design and Implementation of Data Acquisition System of the CPⅢ Track Control Network Based on PDA

    Institute of Scientific and Technical Information of China (English)

    陈爱梅; 吴昊; 吴北平

    2014-01-01

    为了提高C PⅢ轨道控制测量数据采集的效率,结合PD A 与测量机器人联合作业的技术特点,以Visual studio 2008和Visual C#.NET 为开发平台和开发语言,采用串口通信和多线程技术,设计了基于PD A的C PⅢ轨道控制网数据采集系统。系统解决了国内外同类软件彼此间平台不统一、数据不兼容的问题,实现了在任意一款基于Windows Mobile操作系统的手簿上进行项目管理、数据通信、自动测量、质量控制和成果输出的功能。%In order to increase the efficiency of data acquisition of the CPⅢ track control measurement ,one kind of data acquisition system of the CPⅢ track control network based on PDA is developed by combined with the characteristic of PDA and measurement robot joint operation technique ,with Visual Studio 2008 development platform and Visual C # . NET programming language ,and using serial port communication and multi-threading tech-nology .T he system can solve the problem of disunity of platform and data incompatibility between the similar software at home and abroad ,and can achieve such functions as project management ,data communication ,automatic measurement ,quality control and result out-put on any electronic handbook based on windows mobile operating system .

  10. Ligand modeling and design

    Energy Technology Data Exchange (ETDEWEB)

    Hay, B. [Pacific Northwest Lab., Richland, WA (United States)

    1996-10-01

    The purpose of this work is to develop and implement a molecular design basis for selecting organic ligands that would be used tin applications for the cost-effective removal of specific radionuclides from nuclear waste streams.

  11. Isolation and quantitative HPLC-PDA analysis of lupeol in phytopharmaceutical intermediate products from Vernonanthura ferruginea (Less. H. Rob.

    Directory of Open Access Journals (Sweden)

    Ezequiane Machado Silva Oliveira

    2012-01-01

    Full Text Available Prior to obtain a standardized dried extract from V. ferruginea, lupeol was first time isolated from leaves and used as chemical maker. An analytical method using HPLC-PDA for lupeol determination in V. ferruginea intermediate products was developed using a C8 reverse-phase column, acetonitrile-acetic acid (99.99:0.01, v/v as mobile phase at 0.8 mL min-1, oven temperature at 23-25 ºC, sample injection volume at 30 µL and detection at 210 nm. The method presented linearity from 10 to 160 µg mL-1, accuracy, precision, robustness and suitable sensitivity proving to be a useful tool to the obtainment process of lupeol standardized dried extracts of V. ferruginea.

  12. Phenylethanoid Glycoside Profiles and Antioxidant Activities of Osmanthus fragrans Lour. Flowers by UPLC/PDA/MS and Simulated Digestion Model.

    Science.gov (United States)

    Jiang, Yirong; Mao, Shuqin; Huang, Weisu; Lu, Baiyi; Cai, Zengxuan; Zhou, Fei; Li, Maiquan; Lou, Tiantian; Zhao, Yajing

    2016-03-30

    Variations of phenylethanoid glycoside profiles and antioxidant activities in Osmanthus fragrans flowers through the digestive tract were evaluated by a simulated digestion model and UPLC/PDA/MS. Major phenylethanoid glycosides and phenolic acids, namely, salidroside, acteoside, isoacteoside, chlorogenic acid, and caffeic acid, were identified in four cultivars of O. fragrans flowers, and the concentration of acteoside was the highest, being up to 71.79 mg/g dry weight. After simulated digestion, total phenylethanoid glycoside contents and antioxidant activities were significantly decreased. Acteoside was identified as decomposing into caffeic acid, whereas salidroside was found to be stable during simulated digestion. According to Pearson's correlation analysis, acteoside contents showed good correlations with antioxidant activities during simulated digestion (R(2) = 0.994, P < 0.01). In conclusion, acteoside was the major contributor to the antioxidant activity of O. fragrans flowers, and salidroside was considered as the major antioxidant compound of O. fragrans flowers in vivo.

  13. Transverse momentum distributions of identified particles produced in , $p(d)A$, and collisions at high energies

    Indian Academy of Sciences (India)

    Ya-Qin Gao; Cai-Xing Tian; Mai-Ying Duan; Bao-Chun Li; Fu-Hu Liu

    2012-12-01

    Using a unified description on multiplicity distributions of final-state particles, the transverse momentum distributions of identified particles produced in proton–proton (), proton– and deuteron–nucleus $[p(d)A]$, and nucleus–nucleus () collisions at high energies are studied in this paper. We assume that the transverse momentum distributions of identified particles measured in final state are contributed by a few energy sources which can be regarded as partons or quarks in the interacting system. The particle is contributed by each source with gluons which have transverse momentum distributions in an exponential form. The modelling results are compared and found to be in agreement with the experimental data at high energies.

  14. Determining the degradation efficiency and mechanisms of ethyl violet using HPLC-PDA-ESI-MS and GC-MS

    Directory of Open Access Journals (Sweden)

    Chung Wen-Hsin

    2012-06-01

    Full Text Available Abstract Background The discharge of wastewater that contains high concentrations of reactive dyes is a well-known problem associated with dyestuff activities. In recent years, semiconductor photocatalysis has become more and more attractive and important since it has a great potential to contribute to such environmental problems. One of the most important aspects of environmental photocatalysis is in the selection of semiconductor materials like ZnO and TiO2, which are close to being two of the ideal photocatalysts in several respects. For example, they are relatively inexpensive, and they provide photo-generated holes with high oxidizing power due to their wide band gap energy. In this work, nanostructural ZnO film on the Zn foil of the Alkaline-Manganese Dioxide-Zinc Cell was fabricated to degrade EV dye. The major innovation of this paper is to obtain the degradation mechanism of ethyl violet dyes resulting from the HPLC-PDA-ESI-MS analyses. Results The fabrication of ZnO nanostructures on zinc foils with a simple solution-based corrosion strategy and the synthesis, characterization, application, and implication of Zn would be reported in this study. Other objectives of this research are to identify the reaction intermediates and to understand the detailed degradation mechanism of EV dye, as model compound of triphenylmethane dye, with active Zn metal, by HPLC-ESI-MS and GC-MS. Conclusions ZnO nanostructure/Zn-foils had an excellent potential for future applications on the photocatalytic degradation of the organic dye in the environmental remediation. The intermediates of the degradation process were separated and characterized by the HPLC-PDA-ESI-MS and GC-MS, and twenty-six intermediates were characterized in this study. Based on the variation of the amount of intermediates, possible degradation pathways for the decolorization of dyes are also proposed and discussed.

  15. The Synthesis and Antitumor Activity of Twelve Galloyl Glucosides

    Directory of Open Access Journals (Sweden)

    Chang-Wei Li

    2015-01-01

    Full Text Available Twelve galloyl glucosides 1–12, showing diverse substitution patterns with two or three galloyl groups, were synthesized using commercially available, low-cost D-glucose and gallic acid as starting materials. Among them, three compounds, methyl 3,6-di-O-galloyl-α-D-glucopyranoside (9, ethyl 2,3-di-O-galloyl-α-D-glucopyranoside (11 and ethyl 2,3-di-O-galloyl-β-D-glucopyranoside (12, are new compounds and other six, 1,6-di-O-galloyl-β-D-glucopyranose (1, 1,4,6-tri-O-galloyl-β-D-glucopyranose (2, 1,2-di-O-galloyl-β-D-glucopyranose (3, 1,3-di-O-galloyl-β-D-glucopyranose (4, 1,2,3-tri-O-galloyl-α-D-glucopyranose (6 and methyl 3,4,6-tri-O-galloyl-α-D-glucopyranoside (10, were synthesized for the first time in the present study. In in vitro MTT assay, 1–12 inhibited human cancer K562, HL-60 and HeLa cells with inhibition rates ranging from 64.2% to 92.9% at 100 μg/mL, and their IC50 values were determined to be varied in 17.2–124.7 μM on the tested three human cancer cell lines. In addition, compounds 1–12 inhibited murine sarcoma S180 cells with inhibition rates ranging from 38.7% to 52.8% at 100 μg/mL in the in vitro MTT assay, and in vivo antitumor activity of 1 and 2 was also detected in murine sarcoma S180 tumor-bearing Kunming mice using taxol as positive control.

  16. [Twelve years of working of Brazzaville cancer registry].

    Science.gov (United States)

    Nsondé Malanda, Judith; Nkoua Mbon, Jean Bernard; Bambara, Augustin Tozoula; Ibara, Gérard; Minga, Benoît; Nkoua Epala, Brice; Gombé Mbalawa, Charles

    2013-02-01

    The Brazzaville cancer registry was created in 1996 with the support of the International Agency Research against Cancer (IARC) which is located in Lyon, France. The Brazzaville cancer registry is a registry which is based on population which records new cancer cases occurring in Brazzaville by using Canreg 4.0 Software. Its aim is to supply useful information to fight against cancer to physicians and to decision makers. We conducted this study whose target was to determine the incidence of cancer in Brazzaville during twelve years, from January 1st, 1998 to December 31, 2009. During that period 6,048 new cancer cases were recorded: 3,377 women (55.8%), 2,384 men (39.4%), and 287 children (4.8%) from 0 to 14 years old with an annual average of 504 cases. Middle age to the patient's diagnosis was 49.5 years in female sex and 505.5 years old for male sex. The incidence rate of cancers in Brazzaville was 39.8 or 100.000 inhabitants per year and by sex we observed 49 to female sex and 35.2 for male sex. The first cancers localizations observed to women were in order of frequency: breast, cervix uterine, liver ovaries, hematopoietic system, to men : liver, prostate, hematopoietic system, colon and stomach; to children : retina, kidney, hematopoietic system, liver and bones. These rates are the basis to know the burden of cancer among all pathologies of Brazzaville and the achievement of a national cancer control program.

  17. Hyperinsulinism and hyperammonemia syndrome: report of twelve unrelated patients.

    Science.gov (United States)

    De Lonlay, P; Benelli, C; Fouque, F; Ganguly, A; Aral, B; Dionisi-Vici, C; Touati, G; Heinrichs, C; Rabier, D; Kamoun, P; Robert, J J; Stanley, C; Saudubray, J M

    2001-09-01

    Hyperinsulinism and hyperammonemia syndrome has been reported as a cause of moderately severe hyperinsulinism with diffuse involvement of the pancreas. The disorder is caused by gain of function mutations in the GLUD1 gene, resulting in a decreased inhibitory effect of guanosine triphosphate on the glutamate dehydrogenase (GDH) enzyme. Twelve unrelated patients (six males, six females) with hyperinsulinism and hyperammonemia syndrome have been investigated. The phenotypes were clinically heterogeneous, with neonatal and infancy-onset hypoglycemia and variable responsiveness to medical (diazoxide) and dietary (leucine-restricted diet) treatment. Hyperammonemia (90-200 micromol/L, normal carbamylglutamate administration. The patients had mean basal GDH activity (18.3 +/- 0.9 nmol/min/mg protein) not different from controls (17.9 +/- 1.8 nmol/min/mg protein) in cultured lymphoblasts. The sensitivity of GDH activity to inhibition by guanosine triphosphate was reduced in all patient lymphoblast cultures (IC(50), or concentrations required for 50% inhibition of GDH activity, ranging from 140 to 580 nM, compared with control IC(50) value of 83 +/- 1.0 nmol/L). The allosteric effect of ADP was within the normal range. The activating effect of leucine on GDH activity varied among the patients, with a significant decrease of sensitivity that was correlated with the negative clinical response to a leucine-restricted diet in plasma glucose levels in four patients. Molecular studies were performed in 11 patients. Heterozygous mutations were localized in the antenna region (four patients in exon 11, two patients in exon 12) as well as in the guanosine triphosphate binding site (two patients in exon 6, two patients in exon 7) of the GLUD1 gene. No mutation has been found in one patient after sequencing the exons 5-13 of the gene.

  18. Commercializing government-sponsored innovations: Twelve successful buildings case studies

    Energy Technology Data Exchange (ETDEWEB)

    Brown, M.A.; Berry, L.G.; Goel, R.K.

    1989-01-01

    This report examines the commercialization and use of R and D results funded by DOE's Office of Buildings and Community Systems (OBCS), an office that is dedicated to improving the energy efficiency of the nation's buildings. Three goals guided the research described in this report: to improve understanding of the factors that hinder or facilitate the transfer of OBCS R and D results, to determine which technology transfer strategies are most effective and under what circumstances each is appropriate, and to document the market penetration and energy savings achieved by successfully-commercialized innovations that have received OBCS support. Twelve successfully-commercialized innovations are discussed here. The methodology employed involved a review of the literature, interviews with innovation program managers and industry personnel, and data collection from secondary sources. Six generic technology transfer strategies are also described. Of these, contracting R and D to industrial partners is found to be the most commonly used strategy in our case studies. The market penetration achieved to date by the innovations studied ranges from less than 1% to 100%. For the three innovations with the highest predicted levels of energy savings (i.e., the flame retention head oil burner, low-E windows, and solid-state ballasts), combined cumulative savings by the year 2000 are likely to approach 2 quads. To date the energy savings for these three innovations have been about 0.2 quads. Our case studies illustrate the important role federal agencies can play in commercializing new technologies. 27 refs., 21 figs., 4 tabs.

  19. Three novel indium MOFs derived from dicarboxylate ligands: Syntheses, structures and photoluminescent properties

    Energy Technology Data Exchange (ETDEWEB)

    Wang Liping; Song Tianyou; Li Chao; Xia Jing; Wang Shengyan [College of Chemistry, Jilin University, Changchun 130012 (China); Wang Li, E-mail: lwang99@jlu.edu.cn [College of Chemistry, Jilin University, Changchun 130012 (China); Xu Jianing [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China)

    2012-06-15

    The self-assembly of InCl{sub 3} with 1,4-phenylenediacetic acid (1,4-H{sub 2}pda), 1,3-benzendicarboxylic acid (1,3-H{sub 2}bdc) and 1,4-cyclohexanedicarboxylic acid (1,4- H{sub 2}chdc) generates three new In(III) MOFs, (Me{sub 2}NH{sub 2})[In(cis-1,4-pda){sub 2}] (1), HIn(1,3-bdc){sub 2}{center_dot}2DMF (2) and In(OH)(trans-1,4-chdc) (3) (Me{sub 2}NH=dimethylamine, DMF=N, N'-dimethylformamide). Compound 1 displays a novel 1D no-planar double chain. Although a mixture of cis- and trans-1,4-H{sub 2}pda was used, the product of compound 1 is a single phase with only cis-pda{sup 2-} ligands. Compound 2 possesses a 2D square lattice with sql topology. Interestingly, in compound 2, the 4-connected building unit containing InO{sub 6} octahedron is firstly occurred in In-MOFs. Compound 3 is built up from the infinite metal-oxide chains cross-linked by trans-1,4-chdc{sup 2-} to form 3D framework with rhombus-shaped channels. Furthermore, compounds 1-3 present intense solid-state fluorescent emissions at room temperature. - Graphical abstract: Three new In-MOFs based on different dicaboxylate acids display 1D chain, 2D layer and 3D open-framework, respectively and show strong luminescence emissions at room temperature. Highlights: Black-Right-Pointing-Pointer Three new indium metal-organic frameworks have been solvothermal synthesized. Black-Right-Pointing-Pointer The structural variation is attributed to the diverse coordination modes of ligands. Black-Right-Pointing-Pointer Compounds 1-3 exhibit 1D double chain, 2D layer and 3D open-framework, respectively. Black-Right-Pointing-Pointer These compounds exhibit strong solid-state luminescence emission at room temperature.

  20. Preliminary comparison of the Essie and PubMed search engines for answering clinical questions using MD on Tap, a PDA-based program for accessing biomedical literature.

    Science.gov (United States)

    Sutton, Victoria R; Hauser, Susan E

    2005-01-01

    MD on Tap, a PDA application that searches and retrieves biomedical literature, is specifically designed for use by mobile healthcare professionals. With the goal of improving the usability of the application, a preliminary comparison was made of two search engines (PubMed and Essie) to determine which provided most efficient path to the desired clinically-relevant information.

  1. An Experiment in Humanistic Management within Community College District Twelve, Centralia/Olympia, Washington.

    Science.gov (United States)

    Miller, Dale A.; Hurley, John A.

    Community College District Twelve, a multi-college district serving a two-county area in southwestern Washington, has attempted to incorporate at administrative levels many of the humanistic, process-oriented principles of management discussed by Maslow and Maccoby. A concept of the ideal leadership style for District Twelve guides the selection…

  2. Ligand fitting with CCP4

    Science.gov (United States)

    2017-01-01

    Crystal structures of protein–ligand complexes are often used to infer biology and inform structure-based drug discovery. Hence, it is important to build accurate, reliable models of ligands that give confidence in the interpretation of the respective protein–ligand complex. This paper discusses key stages in the ligand-fitting process, including ligand binding-site identification, ligand description and conformer generation, ligand fitting, refinement and subsequent validation. The CCP4 suite contains a number of software tools that facilitate this task: AceDRG for the creation of ligand descriptions and conformers, Lidia and JLigand for two-dimensional and three-dimensional ligand editing and visual analysis, Coot for density interpretation, ligand fitting, analysis and validation, and REFMAC5 for macromolecular refinement. In addition to recent advancements in automatic carbohydrate building in Coot (LO/Carb) and ligand-validation tools (FLEV), the release of the CCP4i2 GUI provides an integrated solution that streamlines the ligand-fitting workflow, seamlessly passing results from one program to the next. The ligand-fitting process is illustrated using instructive practical examples, including problematic cases such as post-translational modifications, highlighting the need for careful analysis and rigorous validation. PMID:28177312

  3. Application of Embedded SQLite Database in Electrical Engineers PDA%嵌入式SQLite数据库在电气工程师PDA中的应用

    Institute of Scientific and Technical Information of China (English)

    李敬兆; 任萍

    2011-01-01

    The electrical engineer PDA was developed for solving electrical engineers need to look for a lot of technical information, edit formulas, measure electrical parameters, and so on. The PDA hardware is made up of ARM core microprocessor, data acquisition and processing circuit, and touch screen / LCD display circuit. The embedded database SQIite is used and transplanted to the embedded microprocessor S3C2440 and Linux systems on the basis of the existing embedded databases are analyzed. Waveform storage table, electrical parameter measurement record table and electronic formulas table are designed based on the function of electrical engineers PDA. The PDA data sheet' s field, electrical technical data query module database table creation and database design of electrical data query module are mainly analyzed. Linux operating systems and SQLite database are transplanted to the embedded microprocessor, electrical engineers PDA application software is designed, and online calculation, editing and querying electrical data, etc are realized. The design request of this PDA was successfully completed.%针对电气工程师需要查询大量技术资料和公式以及测量电气参数等问题,对电气工程师PDA进行了研制,该PDA硬件采用ARM核微处理器、数据采集与处理电路和触摸屏/LCD显示电路.通过对现有嵌入式数据库的分析和研究,采用了嵌入式数据库SQLite,并移植到嵌入式微处理器S3C2440和Linux系统中.根据电气工程师PDA的功能,设计了波形存储表、电参数测量记录表、电学公式表和电气资料查询表,重点对电气工程师PDA数据表及其字段、电学技术资料查询模块数据库表的建立和电气资料查询模块中数据库查询程序设计进行了分析.通过在嵌入式微处理器上移植Linux操作系统和SQLite数据库进行电气工程师PDA的应用软件设计,实现了在线计算、编辑和查询电气资料的功能,圆满地完成了该PDA的设计要求.

  4. PDA污染情况调查及消毒方法研究%Investigation on pollution and study on disinfection method of PDA

    Institute of Scientific and Technical Information of China (English)

    胡红菊; 刘珺; 王靖; 朱丽莎

    2016-01-01

    目的:观察护理人员使用的PDA细菌污染的情况,探讨3种消毒方法的效果。方法:随机抽取本院护理人员使用的PDA 30部进行细菌培养,随机平分为3组,分别用75%酒精、手消毒剂、紫外线照射消毒,对结果进行统计分析。结果:由护理人员使用的PDA在消毒前细菌超标率100%,消毒后细菌超标率下降到3%,消毒前后比较,差异有统计学意义(P<0.05)。结论:加强手卫生,做好PDA清洁消毒和维护,防止院内感染。采用手消毒剂消毒PDA为最理想的消毒方法。%Objective:To observe the situation of bacterial contamination of PDA used by nurses,and to explore the effect of 3 disinfection methods.Methods:30 PDA used by nursing staff in our hospital were randomly selected for bacterial culture.They were randomly divided into the 3 groups,respectively,with 75% alcohol,hand disinfectant,UV irradiation for disinfection,and we made a statistical analysis of the results.Results:The bacterium ex-standard rate of PDA used by nurses was 100% before disinfection,and the rate of bacteria was decreased to 3% after disinfection;the difference was statistically signiifcant before and after disinfection(P<0.05).Conclusion:Strengthen hand hygiene,do a good job in PDA cleaning and disinfection and maintenance can prevent nosocomial infection.Using hand disinfectant to disinfect PDA is the most ideal method.

  5. Simultaneous determination of eleven major flavonoids in the pollen of Typha angustifolia by HPLC-PDA-MS.

    Science.gov (United States)

    Tao, Weiwei; Yang, Nianyun; Duan, Jin-ao; Wu, Dekang; Guo, Jianming; Tang, Yuping; Qian, Dawei; Zhu, Zhenhua

    2011-01-01

    The pollen of Typha angustifolia L. has been used for the treatment of dysmenorrhea, stranguria and metrorrhagia. Flavonoids are major active compounds in this pollen and their quantification is important for its quality control. To establish an HPLC-PDA-MS method for simultaneous determination of the 11 majority flavonoids in the pollen of T. angustifolia. The optimal condition of separation was achieved on a reversed-phase C₁₈ column with gradient elution of acetonitrile and 0.05% formic acid (v/v) at a flow-rate of 0.8 mL/min; the column temperature was set at 35 °C. All calibration curves showed good linear regression (r²  > 0.9992). The method provided good accuracy, precision, recovery and sensitivity for the quantification of the 11 compounds analysed. The HPLC method established is appropriate for the quality assurance of the pollen of T. angustifolia. Copyright © 2011 John Wiley & Sons, Ltd.

  6. PDA Points to Consider: Technical Product Lifecycle Management Pharmaceutical Quality System Effectiveness For Managing Post-Approval Changes.

    Science.gov (United States)

    Ramnarine, Emma; Busse, Ursula; Chassant, Franck; Colao, Marcello; Edwards, Julia; O'Donnell, Kevin; Jornitz, Maik; Munk, Morten; Seymour, Melissa; Simianu, Mihaela; Skeens, Lisa; Vinther, Anders

    2017-02-14

    The International Council for Harmonisation Quality Guideline 10 (ICH Q10) describes the Pharmaceutical Quality System (PQS), indicating it is intended to apply throughout a product's lifecycle, in conjunction with good manufacturing practice (GMP) requirements, in order to achieve quality in a consistent and reproducible manner. Implementation of an effective PQS is essential for a company to achieve product realization, establish and maintain a state of control, and facilitate continual improvement (1). When changes are made during the commercial life of a product, an effective PQS, product and process understanding, and use of quality risk management should ensure that product quality, patient safety, and adequate supply to patients are maintained; this, according to ICH Q10-Annex 1, should provide companies the opportunity to manage post-approval changes (PAC) with reduced regulatory oversight (1). But what exactly constitutes an effective PQS? And how does it support change management for PACs? This paper intends to answer these questions and guide companies to seize the opportunities outlined in ICH Q10-Annex 1, to manage product and process changes within the PQS, and downgrade the level of regulatory submission required. This is the second of a series of PDA "Points to Consider" papers on technical product lifecycle management; the first paper focused on the technical product lifecycle management strategy including communication and knowledge exchange between Marketing Authorization Holders and Health Authorities.

  7. Long-term maintenance of smartphone and PDA use in individuals with moderate to severe memory impairment.

    Science.gov (United States)

    Svoboda, Eva; Richards, Brian; Yao, Christie; Leach, Larry

    2015-01-01

    In an earlier paper we described a structured, theory-driven training programme which was administered to 10 individuals with moderate-to-severe memory impairment. All individuals received an errorless-fading-of-cues protocol in the use of personal digital assistants (PDAs) or smartphones (Svoboda, Richards, Leach, & Mertens, 2012) and demonstrated generalisation of acquired skills to day-to-day memory challenges. Maintenance of intervention gains over the long-term is another indicator of successful generalisation. Here we present the maintenance of device use in the same group of individuals 12 to 19 months after programme completion. A within-subject, ABABB multi-case experimental design was used to evaluate the impact of PDA or smartphone use on day-to-day memory functioning at baseline, immediately post-intervention, at return to baseline, and at short-term and long-term follow-up. Results presented here focus predominantly on long-term follow-up. All 10 individuals showed maintenance of gains in day-to-day functioning as quantified across several ecologically valid questionnaire and task-based measures. This was corroborated by family members with whom six of the participants resided. This study further demonstrates the programme's clinical effectiveness in enabling individuals with moderate-to-severe memory impairment to function more independently and with greater confidence up to 19 months following programme completion.

  8. Do intra-operative fluids influence the need for post-operative cardiotropic support after a PDA ligation?

    Institute of Scientific and Technical Information of China (English)

    Brigitte LEMYRE; Ling LIU; Gregory Paul MOORE; Sarah Linda LAWRENCE; Nicholas J. BARROWMAN

    2011-01-01

    Objective To investigate the effect of intra-operative intravenous fluids on post-operative hemodynamic stability. Methods We performed a retrospective cohort study of 98 preterm infants who underwent a patent ductus arteriosus (PDA) ligation in one N1CU between 2001 and 2007. The primary outcome was the need for cardiotropic support within 24 hrs of ligation. Results Twenty-seven infants (28%) required post-operative cardiotropic support. The amount of intra-operative fluids varied between 0 and 50.4 mL/kg (median; 10.2 mL/kg). No intra-operative fluid was recorded in 26 patients. Fluids were not associated with the need for post-operative cardiotropic support (P = 0. 10). Using a multivariate logistic regression model, age at ligation, weight at ligation and pre-operative FiO2 were significant predictors of post-operative cardiotropic support. Conclusions Intra-operative fluids do not appear to be associated with the need for post-operative cardiotropic support. A prospective cohort study may help identify modifiable risk factors and improve outcomes in this population.

  9. Simultaneous determination of bioactive compounds in Piper nigrum L. and a species comparison study using HPLC-PDA.

    Science.gov (United States)

    Rao, Vidadala Rama Subba; Raju, Sagi Satyanarayana; Sarma, Vanka Umamaheswara; Sabine, Fouriner; Babu, Kothapalli Hari; Babu, Katragadda Suresh; Rao, Janaswamy Madhusudana

    2011-08-01

    Piper nigrum L. is a traditional medicine widely used in India for illnesses such as constipation, diarrhoea, earache, gangrene, heart disease, hernia, hoarseness, indigestion, insect bites, insomnia, joint pain, liver problems, lung disease, oral abscesses, sunburn, tooth decay and toothaches. In this study, six bioactive compounds, namely piperine (1), pellitorine (2), guineensine (3), pipnoohine (4), trichostachine (5) and piperonal (6) were quantified in different extracts of P. nigrum L. and compared with those of P. longum L. and P. chaba Hunter. To evaluate the quality of P. nigrum, a simple, accurate and precise HPLC-PDA method was developed for the simultaneous determination of the above-mentioned six compounds. The separation was achieved by Phenomenex Luna RP C(18) column (150 × 4.6 mm, 5 µm, Phenomenex Inc, CA, USA) with a binary gradient solvent system of water-acetonitrile, at a flow rate of 1.0 mL min(-1) and detected at 210, 232, 262 and 343 nm. All six calibration curves showed good linearity (R (2) > 0.9966). The method was reproducible with intra- and inter-day variations of less than 2% and 5%, respectively. The results demonstrated that this method is simple, reliable and suitable for the quality control of these plants.

  10. Identification of Chemical Constituents in the Extract and Rat Serum from Ziziphus Jujuba Mill by HPLC-PDA-ESI-MSn.

    Science.gov (United States)

    Wang, Shuping; Zhang, Jingze; Zhang, Zhidan; Gao, Wenyuan; Yan, Yanan; Li, Xia; Liu, Changxiao

    2014-01-01

    Chinese jujube (Ziziphus jujuba Mill.) has long been widely used for human consumption and medicinal purposes in China. It has been reported to possess several vital biological activities. However, the systematic study on the chemical constituents absorbed into plasma and their metabolites is still insufficient.A high-performance liquid chromatography-photodiode array detector-electrospray ionization ion-mass spectrometry (HPLC-PDA-ESI-MS(n)) method was established to analyze the ethanol extract in Ziziphus jujuba Mill and the constituents absorbed into rat serum. In the present study, a dose of 10 mL/Kg of ethanol extract of jujube, which is equivalent to 12.5 g crude dried herb/Kg, was orally administrated to rats. The main components were analyzed in the ethanol extract of Ziziphus jujuba Mill and the parent constituents and metabolites were studied in rat plasma samples after oral administration of the ethanol extract of jujube.D101 macroporous polystyrene resin was a good pretreatment method to obtain better separation and impurity removal effect. Twenty-two compounds were identified in the ethanol extract of Ziziphus jujuba Mill. Four parent compounds and four metabolites were detected in rat serum. Among them, seventeen compounds were reported for the first time.

  11. Gas separation performance of carbon molecular sieve membranes based on 6FDA-mPDA/DABA (3:2) polyimide.

    Science.gov (United States)

    Qiu, Wulin; Zhang, Kuang; Li, Fuyue Stephanie; Zhang, Ke; Koros, William J

    2014-04-01

    6FDA-mPDA/DABA (3:2) polyimide was synthesized and characterized for uncross-linked, thermally crosslinked, and carbon molecular sieve (CMS) membranes. The membranes were characterized with thermogravimetric analysis, FTIR spectroscopy, wide-angle X-ray diffraction, and gas permeation tests. Variations in the d spacing, the formation of pore structures, and changes in the pore sizes of the CMS membranes were discussed in relation to pyrolysis protocols. The uncross-linked polymer membranes showed high CO2 /CH4 selectivity, whereas thermally crosslinked membranes exhibited significantly improved CO2 permeability and excellent CO2 plasticization resistance. The CMS membranes showed even higher CO2 permeability and CO2 /CH4 selectivity. An increase in the pyrolysis temperature resulted in CMS membranes with lower gas permeability but higher selectivity. The 550 °C pyrolyzed CMS membranes showed CO2 permeability as high as 14 750 Barrer with CO2 /CH4 selectivity of approximately 52. Even 800 °C pyrolyzed CMS membranes still showed high CO2 permeability of 2610 Barrer with high CO2 /CH4 selectivity of approximately 118. Both polymer membranes and the CMS membranes are very attractive in aggressive natural gas purification applications.

  12. LigandRNA: computational predictor of RNA-ligand interactions.

    Science.gov (United States)

    Philips, Anna; Milanowska, Kaja; Lach, Grzegorz; Bujnicki, Janusz M

    2013-12-01

    RNA molecules have recently become attractive as potential drug targets due to the increased awareness of their importance in key biological processes. The increase of the number of experimentally determined RNA 3D structures enabled structure-based searches for small molecules that can specifically bind to defined sites in RNA molecules, thereby blocking or otherwise modulating their function. However, as of yet, computational methods for structure-based docking of small molecule ligands to RNA molecules are not as well established as analogous methods for protein-ligand docking. This motivated us to create LigandRNA, a scoring function for the prediction of RNA-small molecule interactions. Our method employs a grid-based algorithm and a knowledge-based potential derived from ligand-binding sites in the experimentally solved RNA-ligand complexes. As an input, LigandRNA takes an RNA receptor file and a file with ligand poses. As an output, it returns a ranking of the poses according to their score. The predictive power of LigandRNA favorably compares to five other publicly available methods. We found that the combination of LigandRNA and Dock6 into a "meta-predictor" leads to further improvement in the identification of near-native ligand poses. The LigandRNA program is available free of charge as a web server at http://ligandrna.genesilico.pl.

  13. Analysis of macromolecules, ligands and macromolecule-ligand complexes

    Science.gov (United States)

    Von Dreele, Robert B [Los Alamos, NM

    2008-12-23

    A method for determining atomic level structures of macromolecule-ligand complexes through high-resolution powder diffraction analysis and a method for providing suitable microcrystalline powder for diffraction analysis are provided. In one embodiment, powder diffraction data is collected from samples of polycrystalline macromolecule and macromolecule-ligand complex and the refined structure of the macromolecule is used as an approximate model for a combined Rietveld and stereochemical restraint refinement of the macromolecule-ligand complex. A difference Fourier map is calculated and the ligand position and points of interaction between the atoms of the macromolecule and the atoms of the ligand can be deduced and visualized. A suitable polycrystalline sample of macromolecule-ligand complex can be produced by physically agitating a mixture of lyophilized macromolecule, ligand and a solvent.

  14. Ligand-Receptor Interactions

    CERN Document Server

    Bongrand, Pierre

    2008-01-01

    The formation and dissociation of specific noncovalent interactions between a variety of macromolecules play a crucial role in the function of biological systems. During the last few years, three main lines of research led to a dramatic improvement of our understanding of these important phenomena. First, combination of genetic engineering and X ray cristallography made available a simultaneous knowledg of the precise structure and affinity of series or related ligand-receptor systems differing by a few well-defined atoms. Second, improvement of computer power and simulation techniques allowed extended exploration of the interaction of realistic macromolecules. Third, simultaneous development of a variety of techniques based on atomic force microscopy, hydrodynamic flow, biomembrane probes, optical tweezers, magnetic fields or flexible transducers yielded direct experimental information of the behavior of single ligand receptor bonds. At the same time, investigation of well defined cellular models raised the ...

  15. Therapeutic androgen receptor ligands

    OpenAIRE

    Allan, George F.; Sui, Zhihua

    2003-01-01

    In the past several years, the concept of tissue-selective nuclear receptor ligands has emerged. This concept has come to fruition with estrogens, with the successful marketing of drugs such as raloxifene. The discovery of raloxifene and other selective estrogen receptor modulators (SERMs) has raised the possibility of generating selective compounds for other pathways, including androgens (that is, selective androgen receptor modulators, or SARMs).

  16. The impact of alcoholics anonymous on other substance abuse-related twelve-step programs.

    Science.gov (United States)

    Laudet, Alexandre B

    2008-01-01

    This chapter explores the influence of the AA model on self-help fellowships addressing problems of drug dependence. Fellowships that have adapted the twelve-step recovery model to other substances of abuse are reviewed; next similarities and differences between AA and drug-recovery twelve-step organizations are examined; finally, we present empirical findings on patterns of attendance and perceptions of AA and Narcotics Anonymous (NA) among polydrug-dependent populations, many of whom are cross-addicted to alcohol. Future directions in twelve-step research are noted in closing.

  17. Imidazoline receptors ligands

    Directory of Open Access Journals (Sweden)

    Agbaba Danica

    2012-01-01

    Full Text Available Extensive biochemical and pharmacological studies have determined three different subtypes of imidazoline receptors: I1-imidazoline receptors (I1-IR involved in central inhibition of sympathicus that produce hypotensive effect; I2-imidazoline receptors (I2-IR modulate monoamine oxidase B activity (MAO-B; I3-imidazoline receptors (I3-IR regulate insulin secretion from pancreatic β-cells. Therefore, the I1/I2/I3 imidazoline receptors are selected as new, interesting targets for drug design and discovery. Novel selective I1/I2/I3 agonists and antagonists have been recently developed. In the present review, we provide a brief update to the field of imidazoline research, highlighting some of the chemical diversity and progress made in the 2D-QSAR, 3D-QSAR and quantitative pharmacophore development studies of I1-IR and I2-IR imidazoline receptor ligands. Theoretical studies of I3-IR ligands are not yet performed because of insufficient number of synthesized I3-IR ligands.

  18. Configuration and Optimization of Mobile Nursing PDA Equipment%移动护理PDA设备的配置与优化

    Institute of Scientific and Technical Information of China (English)

    蒋蔚; 王玮; 彭建民

    2015-01-01

    Objective: To configure and optimize the mobile nursing PDA equipment, provide hardware security for the implementation of mobile nursing information system. Method: Using the automatic installation and deployment tools quickly set the parameters of PDA devices, and the screen light of equipment, desktop, scanner and wireless network cards and other parameters to optimize performance on doing. Results: After the configuration optimization of PDA devices, the operating system configuration tight and tidy desks, screen parameter settings to conserve energy, wireless network card is stable, reducing the frequency of network disconnection, increasing the transmission distance and coverage, and to faulty equipment fast "one key recovery". Conclusion: The reasonable configuration and optimization of PDA equipment is the basis of the successful implementation of mobile nursing information system.%目的:配置并优化移动护理PDA设备,为移动护理信息系统的实施提供硬件保障.方法:利用自动安装和部署工具,快速设置PDA设备的各项参数,并对设备的屏幕灯光、系统桌面、扫描器及无线网卡等参数做性能上的优化.结果:经配置优化后的PDA设备,操作系统配置严密,桌面整洁,屏幕参数设置合理、节能,无线网卡工作稳定,降低了断线率,增大了传输距离及覆盖范围,并可对故障设备快速"一键恢复".结论:合理配置与优化的PDA设备是移动护理信息系统能否成功实施的基础.

  19. PDA智能巡检系统在变电站中的应用探讨%Application and analysis on PDA intelligent patrol system in transformer substation

    Institute of Scientific and Technical Information of China (English)

    陈军

    2013-01-01

    PDA(Persona Digital Assistant)智能化巡检系统的移动端管理,是一套新型、科学、有效的信息化管理手段,它能彻底杜绝漏检、发现缺陷及时、设备健康状态得到有效规范化管理.

  20. 基于PDA-GIS的测土配方施肥系统的研究与建立%RESEARCH AND ESTABLISHMENT OF SOIL PRESCRIPTION FERTILISATION SYSTEM BASED ON PDA-GIS

    Institute of Scientific and Technical Information of China (English)

    祖娟; 马友华; 刘根和; 吴万春; 支孝勤

    2012-01-01

    The soil determination and prescription fertilisation project, widely carried out by the Ministry of Agriculture, has generated various technical outcomes and fundamental statistics. Our research puts these data into fullplay, based on rich or pool index method of soil nutrition and nutrition balance theory, we structure the models of both sectional and accurate fertilising methods respectively. Secondary development has been also made on the basis of eSupermap for. NET platform,the Fitted CIS and mobile CPS locating technology are applied. In this case,the PDA users is able to acquire the information of soil nutrition,fertilising technology,element deficiency atlas and etc. The system sets Jinzhai County as an example,and has solved the bottle neck problem in precise and fast promotion and application of fertilising technology outcomes by carrying out both sectional and accurate fertilising approaches for tea and crops farms respectively.%充分利用农业部广泛开展的测土配方施肥丰富的技术成果和基础数据,以土壤养分丰缺指标法和养分平衡法分别构建 区域施肥模型和精准施肥模型,基于esupermap for.NET平台进行二次开发,运用嵌入式GIS、移动式GPS定位技术,PDA用户可随地获取土壤养分、施肥技术、缺素图谱等.系统以安徽省金寨县为例,针对茶园与农作物耕地,分别具备精准施肥和区域施肥两种方案,解决施肥技术推广的瓶颈问题,使施肥技术成果被更精准快速的推广应用.

  1. Differentiation of manuka honey from kanuka honey and from jelly bush honey using HS-SPME-GC/MS and UHPLC-PDA-MS/MS.

    Science.gov (United States)

    Beitlich, Nicole; Koelling-Speer, Isabelle; Oelschlaegel, Stefanie; Speer, Karl

    2014-07-01

    In the present study, pollen-identical pure manuka and kanuka honeys and an Australian jelly bush honey were analyzed for the nonvolatiles by UHPLC-PDA-MS/MS and for the volatiles by HS-SPME-GC/MS. A chromatographic profile matchup by means of characteristic marker compounds achieved a clear discrimination between manuka, kanuka, and jelly bush honey. UHPLC-PDA profiles of manuka honey show leptosin, acetyl-2-hydroxy-4-(2-methoxyphenyl)-4-oxobutanate, 3-hydroxy-1-(2-methoxyphenyl)-penta-1,4-dione, kojic acid, 5-methyl-3-furancarboxylic acid, and two unknown compounds as prominent, kanuka honey was characterized by 4-methoxyphenyllactic acid, methyl syringate, p-anisic acid, and lumichrome. 2-Methylbenzofuran, 2'-hydroxyacetophenone, and 2'-methoxyacetophenone were markant volatiles for manuka honey, whereas kanuka honey was characterized by 2,6,6-trimethyl-2-cyclohexene-1,4-dione, phenethyl alcohol, p-anisaldehyde, and an unknown compound in HS-SPME-GC/MS. The jelly bush honey differed from the manuka honey by higher contents of 2-methoxybenzoic acid and an individual unknown substance in the PDA profile and by lower intensities of 2'-methoxyacetophenone, higher concentrations of cis-linalool oxide, and 3,4,5-trimethylphenol in the HS-SPME-GC/MS profile.

  2. Comparisons Between Tridentate Bis(benzazoles-pyridine and Bis(benzazolestriazine Ligands: a Theoretical Study

    Directory of Open Access Journals (Sweden)

    Mihaiela Andoni

    2015-12-01

    Full Text Available Twelve bis(benzazole structures with potential ligand character were investigated by means of computational chemistry. Global and local reactivity descriptors within DFT (Density Functional Theory theory (Fukui functions, chemical potential, hardness, electrophilicity index have been computed at B3LYP/6-31G(d,p level of theory. NICS(0 (Nucleus Independent Chemical Shift index computations were employed for the evaluation of the local aromatic character of each heterocyclic moiety. Best results have been reported for the bis(benzimidazole derivatives. Copper and zinc complexes of the investigated tridentate ligands have been proposed.

  3. CLINICAL APPLICATION OF “TWELVE WELL-POINTS” IN EMERGENCY TREATMENT

    Institute of Scientific and Technical Information of China (English)

    段功保

    2000-01-01

    In many years' clinical practice, I used blood-letting method of “Twelve Well-points” to treat emergencies as coma, syncope, acute infantile convulsion, wind-stroke syndrome, hysteria, epilepsy, etc. and have achieved immediate results.

  4. Pancreatic Ductal Adenocarcinoma (PDA) mice lacking Mucin 1 have a profound defect in tumor growth and metastasis

    Science.gov (United States)

    Besmer, Dahlia M.; Curry, Jennifer M.; Roy, Lopamudra D.; Tinder, Teresa L.; Sahraei, Mahnaz; Schettini, Jorge; Hwang, Sun-Il; Lee, Yong Y.; Gendler, Sandra J.; Mukherjee, Pinku

    2011-01-01

    MUC1 is over expressed and aberrantly glycosolated in >60% of pancreatic ductal adenocarcinomas. The functional role of MUC1 in pancreatic cancer has yet to be fully elucidated due to a dearth of appropriate models. In the present study, we have generated mouse models that spontaneously develop pancreatic ductal adenocarcinoma (KC), which are either Muc1-null (KCKO) or express human MUC1 (KCM). We show that KCKO mice have significantly slower tumor progression and rates of secondary metastasis, compared to both KC and KCM. Cell lines derived from KCKO tumors have significantly lower tumorigenic capacity compared to cells from KCM tumors. Therefore, mice with KCKO tumors had a significant survival benefit compared to mice with KCM tumors. In vitro, KCKO cells have reduced proliferation and invasion and failed to respond to epidermal growth factor (EGF), platelet-derived growth factor (PDGF), or matrix metalloproteinase-9 (MMP9). Further, significantly fewer KCKO cells entered the G2M phase of the cell cycle compared to the KCM cells. Proteomics and western blotting analysis revealed a complete loss of cdc-25c expression, phosphorylation of MAPK, as well as a significant decrease in Nestin and Tubulin α-2 chain expression in KCKO cells. Treatment with a MEK1/2 inhibitor, U0126, abrogated the enhanced proliferation of the KCM cells but had minimal effect on KCKO cells, suggesting that MUC1 is necessary for MAPK activity and oncogenic signaling. This is the first study to utilize a Muc1-null PDA mouse in order to fully elucidate the oncogenic role of MUC1, both in vivo and in vitro. PMID:21558393

  5. Antioxidant Capacities and Analysis of Phenolic Compounds in Three Endemic Nolana Species by HPLC-PDA-ESI-MS

    Directory of Open Access Journals (Sweden)

    Mario J. Simirgiotis

    2015-06-01

    Full Text Available The antioxidant features, polyphenolic composition and chromatographic fingerprints of the aerial parts from three Chilean endemic plants from the Paposo Valley located on the cost of the Atacama Desert were investigated for the first time using high pressure liquid chromatography coupled with photodiode array detector and electrospray ionization mass analysis (HPLC-PDA-ESI-MS and spectroscopic methods. The phenolic fingerprints obtained for the plants were compared and correlated with the antioxidant capacities measured by the bleaching of the DPPH radical, the ferric reducing antioxidant power (FRAP and quantification of the total content of phenolics and flavonoids measured by spectroscopic methods. Thirty phenolics were identified for the first time for these species, mostly phenolic acids, flavanones, flavonols and some of their glycoside derivatives, together with three saturated fatty acids (stearic, palmitic and arachidic acids. Nolana ramosissima showed the highest antioxidant activity (26.35 ± 1.02 μg/mL, 116.07 ± 3.42 μM Trolox equivalents/g dry weight and 81.23% ± 3.77% of inhibition in the DPPH, FRAP and scavenging activity (SA assays, respectively, followed by  N. aplocaryoides (85.19 ± 1.64 μg/mL, 65.87 ± 2.33 μM TE/g DW and 53.27% ± 3.07% and N. leptophylla (124.71 ± 3.01, 44.23 ± 5.18 μM TE/g DW and 38.63% ± 1.85%.

  6. Gas Separation Performance of Carbon Molecular Sieve Membranes Based on 6FDA-mPDA/DABA (3:2) Polyimide

    KAUST Repository

    Qiu, Wulin

    2014-02-23

    6FDA-mPDA/DABA (3:2) polyimide was synthesized and characterized for uncross-linked, thermally crosslinked, and carbon molecular sieve (CMS) membranes. The membranes were characterized with thermogravimetric analysis, FTIR spectroscopy, wide-angle X-ray diffraction, and gas permeation tests. Variations in the d spacing, the formation of pore structures, and changes in the pore sizes of the CMS membranes were discussed in relation to pyrolysis protocols. The uncross-linked polymer membranes showed high CO 2/CH4 selectivity, whereas thermally crosslinked membranes exhibited significantly improved CO2 permeability and excellent CO2 plasticization resistance. The CMS membranes showed even higher CO2 permeability and CO2/CH4 selectivity. An increase in the pyrolysis temperature resulted in CMS membranes with lower gas permeability but higher selectivity. The 550 °C pyrolyzed CMS membranes showed CO2 permeability as high as 14 750 Barrer with CO 2/CH4 selectivity of approximately 52. Even 800 °C pyrolyzed CMS membranes still showed high CO2 permeability of 2610 Barrer with high CO2/CH4 selectivity of approximately 118. Both polymer membranes and the CMS membranes are very attractive in aggressive natural gas purification applications. Permeating through: Polyimide-based uncross-linked, thermally crosslinked, and carbon molecular sieve (CMS) membranes are prepared. Variations in the d spacing, the formation of pore structures, and changes in the pore sizes of the CMS membranes are discussed in relation to pyrolysis protocols. Both the polymer and CMS membranes are very attractive in aggressive natural gas purification applications. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Linking the global positioning system (GPS to a personal digital assistant (PDA to support tuberculosis control in South Africa: a pilot study

    Directory of Open Access Journals (Sweden)

    McIntyre James A

    2006-08-01

    Full Text Available Abstract Background Tuberculosis (TB is the leading clinical manifestation of HIV infection and caseloads continue to increase in high HIV prevalence settings. TB treatment is prolonged and treatment interruption has serious individual and public health consequences. We assessed the feasibility of using a handheld computing device programmed with customised software and linked to a GPS receiver, to assist TB control programmes to trace patients who interrupt treatment in areas without useful street maps. In this proof of concept study, we compared the time taken to re-find a home comparing given residential addresses with a customised personalised digital assistant linked to a global positioning system (PDA/GPS device. Additionally, we assessed the feasibility of using aerial photographs to locate homes. Results The study took place in two communities in Greater Johannesburg, South Africa: Wheillers Farm, a relatively sparsely populated informal settlement, and a portion of Alexandra, an urban township with densely populated informal settlements. Ten participants in each community were asked to locate their homes on aerial photographs. Nine from Wheillers Farm and six from Alexandra were able to identify their homes. The total time taken by a research assistant, unfamiliar with the area, to locate 10 homes in each community using the given addresses was compared with the total time taken by a community volunteer with half an hour of training to locate the same homes using the device. Time taken to locate the ten households was reduced by 20% and 50% in each community respectively using the PDA/GPS device. Conclusion In this pilot study we show that it is feasible to use a simple PDA/GPS device to locate the homes of patients. We found that in densely populated informal settlements, GPS technology is more accurate than aerial photos in identifying homes and more efficient than addresses provided by participants. Research assessing issues of

  8. Bexarotene ligand pharmaceuticals.

    Science.gov (United States)

    Hurst, R E

    2000-12-01

    Bexarotene (LGD-1069), from Ligand, was the first retinoid X receptor (RXR)-selective, antitumor retinoid to enter clinical trials. The company launched the drug for the treatment of cutaneous T-cell lymphoma (CTCL), as Targretin capsules, in the US in January 2000 [359023]. The company filed an NDA for Targretin capsules in June 1999, and for topical gel in December 1999 [329011], [349982] specifically for once-daily oral administration for the treatment of patients with early-stage CTCL who have not tolerated other therapies, patients with refractory or persistent early stage CTCL and patients with refractory advanced stage CTCL. The FDA approved Targretin capsules at the end of December 1999 for once-daily oral treatment of all stages of CTCL in patients refractory to at least one prior systemic therapy, at an initial dose of 300 mg/m2/day. After an NDA was submitted in December 1999 for Targretin gel, the drug received Priority Review status for use as a treatment of cutaneous lesions in patients with stage IA, IB or IIA CTCL [354836]. The FDA issued an approvable letter in June 2000, and granted marketing clearance for CTCL in the same month [370687], [372768], [372769], [373279]. Ligand had received Orphan Drug designation for this indication [329011]. At the request of the FDA, Ligand agreed to carry out certain post-approval phase IV and pharmacokinetic studies [351604]. The company filed an MAA with the EMEA for Targretin Capsules to treat lymphoma in November 1999 [348944]. The NDA for Targretin gel is based on a multicenter phase III trial that was conducted in the US, Canada, Europe and Australia involving 50 patients and a multicenter phase I/II clinical program involving 67 patients. Targretin gel was evaluated for the treatment of patients with early stage CTCL (IA-IIA) who were refractory to, intolerant to, or reached a response plateau for at least 6 months on at least two prior therapies. Efficacy results exceeded the protocol-defined response

  9. Melatonin: functions and ligands.

    Science.gov (United States)

    Singh, Mahaveer; Jadhav, Hemant R

    2014-09-01

    Melatonin is a chronobiotic substance that acts as synchronizer by stabilizing bodily rhythms. Its synthesis occurs in various locations throughout the body, including the pineal gland, skin, lymphocytes and gastrointestinal tract (GIT). Its synthesis and secretion is controlled by light and dark conditions, whereby light decreases and darkness increases its production. Thus, melatonin is also known as the 'hormone of darkness'. Melatonin and analogs that bind to the melatonin receptors are important because of their role in the management of depression, insomnia, epilepsy, Alzheimer's disease (AD), diabetes, obesity, alopecia, migraine, cancer, and immune and cardiac disorders. In this review, we discuss the mechanism of action of melatonin in these disorders, which could aid in the design of novel melatonin receptor ligands.

  10. Chapter Twelve

    African Journals Online (AJOL)

    User

    dissemination in Nigeria· Some local jingles from Radio Nigeria Purity F.M. .... Indigenous Language in Advertisement: Problems and Prospects – Thecla ... the rural newspapers from performing their role of rural development· The ..... Sharma Raman, M· and, S (2004), Technical Communication Principle and Practice· India:.

  11. Macrocyclic G-quadruplex ligands

    DEFF Research Database (Denmark)

    Nielsen, M C; Ulven, Trond

    2010-01-01

    G-quadruplex stabilizing compounds have recently received increased interest due to their potential application as anticancer therapeutics. A significant number of structurally diverse G-quadruplex ligands have been developed. Some of the most potent and selective ligands currently known are macr...

  12. Identification and Quantification of Aldose Reductase Inhibitory Flavonoids in Herbal Formulation and Extract of Gymnema sylvestre Using HPLC-PDA and LC-MS/MS

    Directory of Open Access Journals (Sweden)

    Nanjappan Satheeshkumar

    2014-01-01

    Full Text Available Adulteration of herbal supplements is a major issue for many countries. A simple and reliable HPLC-PDA method was developed for quantification of aldose reductase inhibitory flavonoids rutin, quercetin, and kaempferol. The chromatographic separation was performed on a Fortis C18 column in gradient mode with detection at 267 nm. The presence of these markers was confirmed through the accurate m/z values and MS/MS data obtained using quadruple time of flight mass spectrometry (QTOF-MS. The proposed method was successfully applied to examine the amount of these active constituents in antiobese polyherbal formulation and plant extract of Gymnema sylvestre.

  13. PDA PAC iAM 2017 Survey on Post Approval Change Is the regulatory environment hindering much needed innovation in the Pharma Industry?

    Science.gov (United States)

    Seymour, Melissa

    2017-08-17

    As part of the effort to identify, assess and address current barriers to PACs, the PDA administered a global, blinded, cross-functional survey to document industry experience with PACs in the current global regulatory environment, and to better understand the regulatory complexity and burden on the industry. The survey interrogated on specific points related to annual volume of PACs, reasons, time commitments/cycle time, impact of regional differences on change implementation, current use of tools (e.g. PACMPs), impact on supply chain complexity (e.g. inventory, variants to manage, non-compliance to filings, drug shortages), manufacturing innovation, and resources needed. Copyright © 2017, Parenteral Drug Association.

  14. Imidazole-based Potential Bi- and Tridentate Nitrogen Ligands: Synthesis, Characterization and Application in Asymmetric Catalysis

    Directory of Open Access Journals (Sweden)

    Jiří Kulhánek

    2008-09-01

    Full Text Available Twelve new imidazole-based potential bi- and tridentate ligands were synthesized and characterized. Whereas in the first series the α-amino acid and imidazole moieties were linked by an amino bond, in the second series the tridentate ligands, containing two imidazole groups, were separated by an amide bond. The first series was obtained by the reductive amination of 2-phenylimidazole-4-carboxaldehyde with α-amino acid esters. The tridentate ligands were prepared from 2-phenylimidazole-4-carboxylic acid and chiral amines. In the Henry reaction, the amines were revealed as a more reactive species than the less nucleophilic amides, however the enantiomeric excesses were generally poor.

  15. Glutamate receptor ligands

    DEFF Research Database (Denmark)

    Guldbrandt, Mette; Johansen, Tommy N; Frydenvang, Karla Andrea;

    2002-01-01

    Homologation and substitution on the carbon backbone of (S)-glutamic acid [(S)-Glu, 1], as well as absolute stereochemistry, are structural parameters of key importance for the pharmacological profile of (S)-Glu receptor ligands. We describe a series of methyl-substituted 2-aminoadipic acid (AA......-ray crystallographic analyses, chemical correlation, and CD spectral analyses. The effects of the individual stereoisomers at ionotropic and metabotropic (S)-Glu receptors (iGluRs and mGluRs) were characterized. Compounds with S-configuration at the alpha-carbon generally showed mGluR2 agonist activity of similar...... limited effect on pharmacology. Structure-activity relationships at iGluRs in the rat cortical wedge preparation showed a complex pattern, some compounds being NMDA receptor agonists [e.g., EC(50) =110 microM for (2S,5RS)-5-methyl-AA (6a,b)] and some compounds showing NMDA receptor antagonist effects [e...

  16. 品管圈在提高护士P DA使用率中的应用%The efffect of quality control circle(QCC) in improving the utilization of personal digital assistant(PDA) in nurse

    Institute of Scientific and Technical Information of China (English)

    周萍

    2015-01-01

    目的:探讨品管圈在提高护士PDA使用率的应用效果。方法成立品管圈活动小组,运用品质管理手段管理护士PDA (Personal Digital Assistant,即个人数码助理)的使用。结果实施品管圈活动后,护士PDA执行率由活动前的63.6%提高到活动后的85.5%,差异具有统计学意义( P<0.05)。结论正确运用品管圈可明显提高护士PDA使用率,提高圈员综合能力。%Objective To evaluate the effect of quality control circle( QCC) in improving the utilization of personal digital assistant( PDA) in nurses.Methods Establish a QCC team,and use quality control methods to manage the utilization of PDA in nurses.Results After carrying out QCC activities,the utilization rate of PDA in nurses increased from 63.3% to 85.5%,and the difference had statistical significance( P<0. 05).Conclusion Quality Control Circle could improve the utilization of PDA in nurses significantly,and it could also improve the compre⁃hensive ability of team member.

  17. Isolation and characterization of twelve microsatellite loci for the Japanese Devilray (Mobula japanica)

    NARCIS (Netherlands)

    Poortvliet, Marloes; Galvan-Magana, Felipe; Bernardi, Giacomo; Croll, Donald A.; Olsen, Jeanine L.

    2011-01-01

    Twelve polymorphic microsatellites loci were characterized for Mobula japanica (Japanese Devilray) using an enrichment protocol. All but two loci were in Hardy-Weinberg equilibrium with no evidence of linkage disequilibrium or null-alleles for a sample of 40 individuals from two populations. The num

  18. 17 CFR 210.3-06 - Financial statements covering a period of nine to twelve months.

    Science.gov (United States)

    2010-04-01

    ... ACT OF 1933, SECURITIES EXCHANGE ACT OF 1934, PUBLIC UTILITY HOLDING COMPANY ACT OF 1935, INVESTMENT COMPANY ACT OF 1940, INVESTMENT ADVISERS ACT OF 1940, AND ENERGY POLICY AND CONSERVATION ACT OF 1975... to twelve months. Except with respect to registered investment companies, the filing of...

  19. Twelve new species of Triplocania Roesler (Psocodea: 'Psocoptera': Ptiloneuridae), from South America.

    Science.gov (United States)

    Silva Neto, Alberto Moreira Da; Aldrete, Alfonso N García; Rafael, José Albertino

    2016-05-09

    Twelve species of Triplocania, seven based on male and female specimens and five based on male specimens, are here described and illustrated; nine species are Brazilian, three are Ecuadorian, and one of the latter is shared with Peru. Comments on sexes known and distribution of the species are included.

  20. Portrayal of Life Form in Selected Biographies for Children Eight to Twelve Years of Age.

    Science.gov (United States)

    Koch, Shirley Lois

    This study describes and analyzes, in a critical literary manner, selected biographies for children eight to twelve years of age. Biographies of Jane Addams, Cesar Chavez, Mohandas Gandhi, Toyohiko Kagawa, Martin Luther King, Jr., and Albert Schweitzer are viewed from the perspective of a literary criterion based on the principles of design to…

  1. Premarital sex in the last twelve months and its predictors among ...

    African Journals Online (AJOL)

    Premarital sex in the last twelve months and its predictors among students of ... Statistical significance was determined through a 95% confidence level. ... having comprehensive knowledge of HIV [AOR(95% CI)=1.5(1.01-2.10)], alcohol use ...

  2. Portrayal of Life Form in Selected Biographies for Children Eight to Twelve Years of Age.

    Science.gov (United States)

    Koch, Shirley Lois

    This study describes and analyzes, in a critical literary manner, selected biographies for children eight to twelve years of age. Biographies of Jane Addams, Cesar Chavez, Mohandas Gandhi, Toyohiko Kagawa, Martin Luther King, Jr., and Albert Schweitzer are viewed from the perspective of a literary criterion based on the principles of design to…

  3. A novel double quad-inverter configuration for multilevel twelve-phase open-winding converter

    DEFF Research Database (Denmark)

    Padmanaban, Sanjeevi Kumar; Blaabjerg, Frede; Wheeler, Patrick William

    2016-01-01

    This paper describes a novel proposal of double quad-inverter configuration for multilevel twelve-phase open-winding ac converter. Modular power units are developed from reconfigured eight classical three-phase voltage source inverters (VSIs). Each VSI has one additional bi-directional switching ...

  4. HPLC-PDA-MS and NMR characterization of C-glycosyl flavones in a hydroalcoholic extract of Citrus aurantifolia leaves with antiplatelet activity.

    Science.gov (United States)

    Piccinelli, Anna Lisa; García Mesa, Milagros; Armenteros, Dulce María; Alfonso, María Antonia; Arevalo, Ana Carolina; Campone, Luca; Rastrelli, Luca

    2008-03-12

    A hydroalcoholic extract of lime ( Citrus aurantifolia) leaves has been developed in Cuba to be used as a nutritional supplement and phytomedicine in the form of tincture (TLL). A HPLC-PDA-ESI/MS/MS method has been used for the comprehensive analysis of C-glycosyl flavones in TLL. Six C-glycosyl flavones were characterized and, to confirm the proposed structures and to elucidate the nature of the sugar units, a preparative procedure was applied, and isolated compounds were characterized by NMR. Apigenin-6,8-di-C-beta-D-glucopyranoside (vicenin II) (1), diosmetin-6,8-di- C-beta- d-glucopyranoside (2), apigenin-8-C-beta-D-glucopyranoside (vitexin) (3), apigenin-8-C-[alpha-L-arabinopyranosyl-(1-->6)]-O-beta-D-glucopyranoside (4), apigenin-6-C-[alpha-l-arabinopyranosyl-(1-->6)]-O-beta-D-glucopyranoside (5). and apigenin-6-C-beta-D-glucopyranoside (isovitexin) (6) were identified in TLL and quantified by HPLC-PDA. Compounds 4 and 5 were two new arabinosyl derivatives of vitexin and isovitexin. Inhibitor effect of TLL on platelet aggregation induced by physiological agonists of platelets was evaluated in human plasma. TLL inhibited significantly ADP and epinephrine-induced platelet aggregation in a concentration-dependent manner (IC 50=0.40 and 0.32 mg/mL, respectively).

  5. UPLC-PDA-QTOFMS-guided isolation of prenylated xanthones and benzoylphloroglucinols from the leaves of Garcinia oblongifolia and their migration-inhibitory activity

    Science.gov (United States)

    Zhang, Hong; Dan, Zheng; Ding, Zhi-Jie; Lao, Yuan-Zhi; Tan, Hong-Sheng; Xu, Hong-Xi

    2016-10-01

    A UPLC-PDA-QTOFMS-guided isolation strategy was employed to screen and track potentially new compounds from Garcinia oblongifolia. As a result, two new prenylated xanthones, oblongixanthones D and E (1–2), six new prenylated benzoylphloroglucinol derivatives, oblongifolins V–Z (3–7) and oblongifolin AA (8), as well as a known compound oblongifolin L (9), were isolated from the EtOAc-soluble fraction of an acetone extract of the leaves of Garcinia oblongifolia guided by UPLC-PDA-QTOFMS analysis. The structures of the new compounds were elucidated by 1D- and 2D-NMR spectroscopic analysis and mass spectrometry. Experimental and calculated ECD spectra were used to determine the absolute configurations. The results of wound healing and transwell migration assay showed that oblongixanthones D (1), E (2), and oblongifolin L (9) have the ability to inhibit cancer cell migration in lower cytotoxic concentrations. Western blotting results showed that these compounds exhibited an anti-metastasis effect mainly through downregulating RAF protein levels. In addition, 2 and 9 could inhibit phospho-MEK and phospho-ERK at downstream. Moreover, 1, 2, and 9 could inhibit snail protein level, suggesting that they could regulate the EMT pathway.

  6. Qualitative and quantitative analysis data of the major constituents of Ilex paraguariensis leaves by UPLC-PDA and QTOF-MS.

    Science.gov (United States)

    Blum-Silva, Carlos Henrique; Luz, Ana Beatriz Gobbo; Nascimento, Marcus Vinicius P S; de Campos Facchin, Bruno Matheus; Baratto, Bruna; Fröde, Tânia Silvia; Sandjo, Louis Pergaud; Dalmarco, Eduardo Monguilhott; Reginatto, Flávio Henrique

    2016-09-01

    Ilex paraguariensis A. St. Hil. is a native plant of South America widely consumed as beverages for its ethno pharmacological properties, such as antioxidant, anti-inflammatory, hypocholesterolemic as well as its benefits on the cardiovascular system. Since these properties are related to its chemical composition, the identification and quantification of the major compounds of I. paraguariensis extracts still remains relevant. The data described in this article supports previous results on the anti-inflammatory effect of I. paraguariensis A. St. Hil (Mate), "The anti-inflammatory effect of I. paraguariensis A. St. Hil (Mate) in a murine model of pleurisy" [1]. The present data article reports on nine major compounds identified in I. paraguariensis extracts and its related fractions by using UPLC-PDA and UPLC-QTOF. Identification of the constituents was based on their retention times, UV absorption spectra and mass spectra data, as well as by comparison with authentic samples. The validated parameters show that the quantification by UPLC-PDA methodology developed is sensitive, precise and accurate.

  7. Qualitative and quantitative analysis data of the major constituents of Ilex paraguariensis leaves by UPLC-PDA and QTOF-MS

    Directory of Open Access Journals (Sweden)

    Carlos Henrique Blum-Silva

    2016-09-01

    Full Text Available Ilex paraguariensis A. St. Hil. is a native plant of South America widely consumed as beverages for its ethno pharmacological properties, such as antioxidant, anti-inflammatory, hypocholesterolemic as well as its benefits on the cardiovascular system. Since these properties are related to its chemical composition, the identification and quantification of the major compounds of I. paraguariensis extracts still remains relevant. The data described in this article supports previous results on the anti-inflammatory effect of I. paraguariensis A. St. Hil (Mate, “The anti-inflammatory effect of I. paraguariensis A. St. Hil (Mate in a murine model of pleurisy” [1]. The present data article reports on nine major compounds identified in I. paraguariensis extracts and its related fractions by using UPLC-PDA and UPLC-QTOF. Identification of the constituents was based on their retention times, UV absorption spectra and mass spectra data, as well as by comparison with authentic samples. The validated parameters show that the quantification by UPLC-PDA methodology developed is sensitive, precise and accurate.

  8. UPLC-PDA-QTOFMS-guided isolation of prenylated xanthones and benzoylphloroglucinols from the leaves of Garcinia oblongifolia and their migration-inhibitory activity

    Science.gov (United States)

    Zhang, Hong; Dan, Zheng; Ding, Zhi-Jie; Lao, Yuan-Zhi; Tan, Hong-Sheng; Xu, Hong-Xi

    2016-01-01

    A UPLC-PDA-QTOFMS-guided isolation strategy was employed to screen and track potentially new compounds from Garcinia oblongifolia. As a result, two new prenylated xanthones, oblongixanthones D and E (1–2), six new prenylated benzoylphloroglucinol derivatives, oblongifolins V–Z (3–7) and oblongifolin AA (8), as well as a known compound oblongifolin L (9), were isolated from the EtOAc-soluble fraction of an acetone extract of the leaves of Garcinia oblongifolia guided by UPLC-PDA-QTOFMS analysis. The structures of the new compounds were elucidated by 1D- and 2D-NMR spectroscopic analysis and mass spectrometry. Experimental and calculated ECD spectra were used to determine the absolute configurations. The results of wound healing and transwell migration assay showed that oblongixanthones D (1), E (2), and oblongifolin L (9) have the ability to inhibit cancer cell migration in lower cytotoxic concentrations. Western blotting results showed that these compounds exhibited an anti-metastasis effect mainly through downregulating RAF protein levels. In addition, 2 and 9 could inhibit phospho-MEK and phospho-ERK at downstream. Moreover, 1, 2, and 9 could inhibit snail protein level, suggesting that they could regulate the EMT pathway. PMID:27767059

  9. Design for Metro Equipment Failure Report and Repair System Based on PDA%基于PDA的地铁设备故障报修系统设计

    Institute of Scientific and Technical Information of China (English)

    代存杰; 李秦渝

    2013-01-01

    通过分析地铁运营期间设备管理的特点和故障报修流程,设计了基于PDA (Personal Digital Assistant,PDA)的地铁设备故障报修系统;系统基于Windows CE嵌入式操作系统,采用NXD (Native XML Database,NXD)存储数据,通过WIFI (Wireless-fidelity,WIFI)技术实现数据传输,在服务器端使用线程池技术并发处理大量数据;实践结果表明,该系统能够实现数据的无阻塞传输,解决大批量数据交互时的拥塞问题,加快故障信息流转速度,提高设备故障报修效率,增强地铁企业运营安全.

  10. Fabrication of a biomimetic ZeinPDA nanofibrous scaffold impregnated with BMP-2 peptide conjugated TiO2 nanoparticle for bone tissue engineering.

    Science.gov (United States)

    Sekar, Babitha; Annamalai, Meenakshi; Dykas, Michal Marcin; Saha, Surajit; Poddar, Kingshuk; Venugopal, Jayarama Reddy; Ramakrishna, Seeram; Venkatesan, Thirumalai; Korrapati, Purna Sai

    2017-09-04

    A biomimetic Zein polydopamine (PDA) based nanofiber scaffold was fabricated to deliver bone morphogenic protein-2 (BMP-2) peptide conjugated titanium dioxide (TiO2 ) nanoparticles in a sustained manner for investigating its osteogenic differentiation potential. To prolong its retention time at the target site, BMP-2 peptide has been conjugated to TiO2 nanoparticles owing to its high surface to volume ratio. The effect of biochemical cues from BMP-2 peptide and nano topographical stimulation of electrospun Zein PDA nanofibers were examined for its enhanced osteogenic expression of human fetal osteoblast (hFOB) cells. The sustained delivery of bioactive signals, improved cell adhesion, mineralization and differentiation could be attributed to its highly interconnected nanofibrous matrix with unique material composition. Further, the expression of osteogenic markers revealed that the fabricated nanofibrous scaffold possess better cell - biomaterial interactions. These promising results demonstrate the potential of the composite nanofibrous scaffold as an effective biomaterial substrate for bone regeneration. This article is protected by copyright. All rights reserved.

  11. Chemical characterization of Cuban propolis by HPLC-PDA, HPLC-MS, and NMR: the brown, red, and yellow Cuban varieties of propolis.

    Science.gov (United States)

    Cuesta-Rubio, Osmany; Piccinelli, Anna Lisa; Fernandez, Mercedes Campo; Hernández, Ingrid Márquez; Rosado, Arístides; Rastrelli, Luca

    2007-09-05

    Sixty-five samples of propolis were collected from eleven regions of Cuba; methanolic extracts of propolis were prepared from all samples, and a classification method was developed using a combination of NMR, HPLC-PDA, and HPLC-ESI/MS techniques. The analysis of (1)H and (13)C NMR spectra and chromatographic profiles of all propolis extracts allowed the definition of three main types of Cuban propolis directly related to their secondary metabolite classes: brown Cuban propolis (BCP), rich in polyisoprenylated benzophenones, red Cuban propolis (RCP), containing isoflavonoids as the main constituents, and yellow Cuban propolis (YCP), probably with aliphatic compounds. Subsequently, the principal compounds of the brown and red types were characterized by HPLC-ESI/MS analysis. Instrumental techniques used are complementary; NMR was shown to be a quick and informative tool for the rapid analysis of crude propolis polar extracts and allowed the identification of the main class of secondary metabolites, while LC-PDA and LC-MS techniques were useful tools for qualitative and quantitative analysis of marker compounds of Cuban propolis.

  12. Screening of preservatives by HPLC-PDA-ESI/MS: A focus on both allowed and recently forbidden compounds in the new EU cosmetics regulation.

    Science.gov (United States)

    Lecce, Raffaele; Regazzoni, Luca; Mustazza, Carlo; Incarnato, Giampaolo; Porrà, Rita; Panusa, Alessia

    2016-06-05

    Commission regulation (EU) No 358/2014 amending the new regulation (EC) No 1223/2009 on cosmetics has prohibited the use of isopropyl-, isobutyl-, phenyl-, benzyl- and pentylparaben. Furthermore, Commission regulation (EU) No 1004/2014 has lowered the maximum permitted concentration of butyl- and propylparaben in cosmetics and it has also banned them in leave-on products designed for application on the nappy area of children under three years of age. A HPLC-PDA-ESI/MS method has been developed herein for the detection of seventeen preservatives, both the most utilised and the recently forbidden by the new EU regulations. The separation of these compounds, including benzoic acid and its derivatives in a 1.10 - 3.04 log Pow range, has been performed with a gradient elution on a Symmetry(®) C18 column (250×4.6mm i.d., particle size 5μm) with water and acetonitrile (0.1% formic acid) as mobile phase. Quantification has been carried out by HPLC-PDA. The method has been validated and successfully applied to the analysis of a large number of cosmetics with different functions like rinse-off and leave-on, or composition like skin, hair, face and oral products. Copyright © 2016 Elsevier B.V. All rights reserved.

  13. The PDA Based Intelligentization Realization of Voice Reading%基于PDA的智能化语音朗读实现方法

    Institute of Scientific and Technical Information of China (English)

    张治坤

    2012-01-01

    The prompt function of voice reading that takes the job-site context into account and gives appropriate speech is essential for PDA (personal digital assistant) using in intelligent electric power production management. A voice reading method is introduced in this paper based on the Windows Moblie platform and by using C# language. The idea and the technical factors of the method can be expediently adopted by other languages or platforms.%结合工作环境上下文、贴切的语音朗读提示功能是PDA (personal digital assistant)在智能化电力生产管理中必不可少的.介绍了基于Windows Moblie平台,采用C#语言实现语音朗读的方法,其实现思路和技术要素可以方便地改写成其他语言或移植到其他系统平台.

  14. Highly efficient bioinspired molecular Ru water oxidation catalysts with negatively charged backbone ligands.

    Science.gov (United States)

    Duan, Lele; Wang, Lei; Li, Fusheng; Li, Fei; Sun, Licheng

    2015-07-21

    -coordinate Ru(IV) species was isolated as a reaction intermediate, shedding light on the reaction mechanisms of Ru-catalyzed water oxidation chemistry. Auxiliary ligands have dramatic effects on the water oxidation catalysis in terms of the reactivity and the reaction mechanism. For instance, Ru-bda (H2bda = 2,2'-bipyridine-6,6'-dicarboxylic acid) water oxidation catalysts catalyze Ce(IV)-driven water oxidation extremely fast via the radical coupling of two Ru(V)═O species, while Ru-pda (H2pda = 1,10-phenanthroline-2,9-dicarboxylic acid) water oxidation catalysts catalyze the same reaction slowly via water nucleophilic attack on a Ru(V)═O species. With a number of active Ru catalysts in hands, light driven water oxidation was accomplished using catalysts with low catalytic onset potentials. The structures of molecular catalysts could be readily tailored to introduce additional functional groups, which favors the fabrication of state-of-the-art Ru-based water oxidation devices, such as electrochemical water oxidation anodes and photo-electrochemical anodes. The development of efficient water oxidation catalysts has led to a step forward in the sustainable energy system.

  15. Fechamento de canal arterial por minitoracotomia: técnica e resultados Patent ductus arteriosus (PDA closure with minithoracotomy: technique and results

    Directory of Open Access Journals (Sweden)

    Pedro R. SALERNO

    2000-09-01

    Full Text Available CASUÍSTICA E MÉTODOS: No período de novembro de 1996 a dezembro de 1997, 15 crianças portadoras de canal arterial (CA, sendo 12 do sexo feminino, com idade média de 2,7 anos, peso médio de 13,9 kg foram submetidas a fechamento do CA por minitoracotomia. O ecodopplercardiograma confirmou o diagnóstico em todos o casos e mostrou o diâmetro do CA entre 2 mm e 10 mm, com média de 4,06 mm. A indicação cirúrgica foi eletiva em todos os casos. A operação consistiu de minitoracotomia esquerda no 4º espaço intercostal de 2,5 cm a 3,0 cm, seguida de dissecção do CA e clipagem do mesmo com 2 clips metálicos. Não foi utilizada drenagem pleural em nenhum dos casos. RESULTADOS: Todos os pacientes receberam alta em média no 4º dia de pós-operatório, sem nenhum escape pelo CA ao ecodopplercardiograma. CONCLUSÃO: O fechamento de CA por minitoracotomia é uma alternativa de tratamento que reduz o período de internação, bom efeito cosmético e baixo índice de complicações.OBJECTIVE:The purpose of this study was to describe a new technique for closure of patent ductus arteriosus (PDA by minithoracotomy (2.5 a 3.0 cm and clipping the PDA with titanium clips. MATERIAL AND METHODS: From November 1996 to December 1997, 15 children with PDA underwent surgical closure. The mean age at the time of operation was 2.7 years, mean weight was 13.9 kg. The procedure was through a left minithoracotomy at the 4º intercostal space. The ductus was identified, dissected and isolated. Interruption of ductal flow was performed by direct clipping with two clips. The chest was closed without a chest drain. Unless the patient was ventilator dependent before the closure, the child usually was extubated in the operating room. RESULTS: Color doppler echocardiography demonstrated total occlusion of the ductus in all patients. All 15 patients were discharged from the hospital on the 4º postoperative day (mean. CONCLUSION: We conclude that surgical closure of

  16. Anatomical studies on twelve clones of Camellia species with reference to their taxonomic significance

    Directory of Open Access Journals (Sweden)

    Rajanna L

    2010-10-01

    Full Text Available Anatomical studies of leaf and stem of twelve clones of Camellia were investigated. Cross sections of the stem of all the clones exhibited a typical pattern of arrangement of tissues characteristics of woody plants. Two types of idioblastic sclereids were found in the medullary parenchyma of the taxa studied. While astrosclereids werepresent in 10 of the twelve clones, the vesciculose sclereids were found only in the four clones belonging to C. sinensis. Leaves of the clones show variations in the number of palisade layers. Astro sclereids, brachy sclereids, and dendritic forms were observed in the leaves, their distribution varying in the different clones. A few other micromorphological features are also recorded. Our study forms a basis for answering uncertainties in taxonomic revision in the genus Camellia.

  17. Descriptions of twelve new species of ochyroceratids (Araneae, Ochyroceratidae) from mainland Ecuador.

    Science.gov (United States)

    Dupérré, Nadine

    2015-05-12

    Twelve new species in three different genera from the spider family Ochyroceratidae are described from mainland Ecuador: Speocera bioforestae sp. n., Speocera violacea sp. n., Speocera musgo sp. n., Ochyrocera rinocerotos sp. n., Ochyrocera callaina sp. n., Ochyrocera italoi sp. n., Ochyrocera minotaure sp. n., Ochyrocera losrios sp. n., Ochyrocera zabaleta sp. n., Ochyrocera otonga sp. n., Ochyrocera cashcatotoras sp. n. and Psiloochyrocera tortilis sp. n. Speocera machadoi Gertsch 1977 is transferred to Ochyrocera.

  18. A Hidden Twelve-Dimensional SuperPoincare Symmetry In Eleven Dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Bars, Itzhak; Deliduman, Cemsinan; Pasqua, Andrea; Zumino, Bruno

    2003-12-13

    First, we review a result in our previous paper, of how a ten-dimensional superparticle, taken off-shell, has a hidden eleven-dimensional superPoincare symmetry. Then, we show that the physical sector is defined by three first-class constraints which preserve the full eleven-dimensional symmetry. Applying the same concepts to the eleven dimensional superparticle, taken off-shell, we discover a hidden twelve dimensional superPoincare symmetry that governs the theory.

  19. Premarital Sex in the Last Twelve Months and Its Predictors among Students of Wollega University, Ethiopia.

    Science.gov (United States)

    Regassa, Tesfaye; Chala, Dereje; Adeba, Emiru

    2016-07-01

    Premarital sex increases the risk of unintended pregnancy and sexually transmitted infections including HIV if unprotected and contraception is not used. Thus, the objective of this study was to assess premarital sex in the last twelve months and its predictors among regular undergraduate students of Wollega University. A cross-sectional survey using pretested, structured questionnaire was conducted on a total of 704 regular undergraduate students of Wollega University from February to March, 2014. We used multistage sampling technique to recruit study participants. Binary and multivariable logistic regressions were performed using SPSS version 20 to assess predictors of premarital sex. Statistical significance was determined through a 95% confidence level. Wollega University youths who had premarital sex in the last twelve months were 28.4%; 55.5% of them did not use condom during last sex while 31.3% engaged in multiple sex. Being male [Adjusted Odds Ratio (AOR)(95% Confidence Interval(CI))=2.7(1.58-4.75)], age 20-24 years [AOR(95%CI)=2.8(1.13-7.20)], training on how to use condom [AOR(95%CI)=1.7(1.17-2.46)], being tested for HIV [AOR(95%CI)=2.3(1.48-3.53)], using social media frequently [AOR(95%CI)=1.8(1.14-2.88)], having comprehensive knowledge of HIV [AOR(95% CI)=1.5(1.01-2.10)], alcohol use [AOR (95%CI)=2.2(1.31-3.56)] were associated with increased odds of premarital sex in the last twelve months. Nearly one-third of regular undergraduate students of the university were engaged in premarital sex in the last twelve months. Being male, using social media frequently and alcohol use were associated with increased odds of premarital sex in the stated period. Thus, higher institutions have to deliver abstinence messages alongside information about self-protection.

  20. Hidden twelve-dimensional super Poincaré symmetry in eleven dimensions

    CERN Document Server

    Bars, Itzhak; Pasqua, A; Zumino, B; Bars, Itzhak; Deliduman, Cemsinan; Pasqua, Andrea; Zumino, Bruno

    2004-01-01

    First, we review a result in our previous paper, of how a ten-dimensional superparticle, taken off-shell, has a hidden eleven-dimensional superPoincare symmetry. Then, we show that the physical sector is defined by three first-class constraints which preserve the full eleven-dimensional symmetry. Applying the same concepts to the eleven dimensional superparticle, taken off-shell, we discover a hidden twelve dimensional superPoincare symmetry that governs the theory.

  1. Visualization of Metal-to-Ligand and Ligand-to-Ligand Charge Transfer in Metal-Ligand Complexes

    Institute of Scientific and Technical Information of China (English)

    Yong Ding; Jian-xiu Guo; Xiang-si Wang; Sha-sha Liu; Feng-cai Ma

    2009-01-01

    Three methods including the atomic resolved density of state, charge difference density, and the transition density matrix are used to visualize metal to ligand charge transfer (MLCT) in ruthenium(Ⅱ) ammine complex. The atomic resolved density of state shows that there is density of Ru on the HOMOs. All the density is localized on the ammine, which reveals that the excited electrons in the Ru complex are delocalized over the ammine ligand. The charge difference density shows that all the holes are localized on the Ru and the electrons on the ammine. The localization explains the MLCT on excitation. The transition density matrix shows that there is electron-hole coherence between Ru and ammine. These methods are also used to examine the MLCT in Os(bpy)(p0p)Cl ("Osp0p"; bpy=2,2'-bipyridyl; p0p=4,4'-bipyridyl) and the ligand-to-ligand charge transfer (LLCT) in Alq3. The calculated results show that these methods are powerful to examine MLCT and LLCT in the metal-ligand system.

  2. Determination of flavonoids, phenolic acid and polyalcohol in Butea monosperma and Hedychium coronarium by semi-preparative HPLC Photo Diode Array (PDA Detector

    Directory of Open Access Journals (Sweden)

    Jignasu P. Mehta

    2014-12-01

    Full Text Available The semi preparative HPLC method with PDA Detector was proposed for the determination of one phenolic acid, three flavonoids and one polyalcohol from Butea monosperma and Hedychium coronarium in gradient elution system. The influence of composition of the mobile phase concentration of the mix modifier and temperature on the separation of gallic acid, quercetin, iso-butrin, butrin and eugenol for 90 min was studied. Two different gradient programmes were used to separate these components. The lower limit of quantification of phenolic acid, flavonoids and eugenol is 0.050–0.150 μg/mL and was determined by the least square method and a good correlation was obtained for all separated components.

  3. Characterization of four new photodegradation products of hydroxychloroquine through LC-PDA, ESI-MSn and LC-MS-TOF studies.

    Science.gov (United States)

    Saini, Balraj; Bansal, Gulshan

    2013-10-01

    ICH recommended forced degradation on HCQ was carried out under the conditions of hydrolysis, oxidation, dry heat and photolysis. Six degradation products (I-VI) were formed under photolytic conditions in alkaline medium. The products were characterized through +ESI-MS(n), LC-MS-TOF and LC-PDA studies. The product III was identified as N-de-ethylated HCQ which is a known impurity. It was also found to form in trace amounts under acidic and alkaline hydrolytic conditions. The products I, II, IV and V characterized as N-dehydroxyethyl-7-dechloro-7-hydroxy HCQ, dechlorinated HCQ, N-dealkylated HCQ and HCQ N-oxide, respectively were identified as new degradation products of HCQ. The product VI was not characterized due to its trace levels and insufficient mass spectral data. The most probable mechanisms of degradation of HCQ to these products were outlined and discussed.

  4. Sistema de adquisición de datos con aislamiento por sonda óptica hasta 20MHz basado en la tarjeta PDA14

    OpenAIRE

    Izquierdo Fernández, Rafael

    2011-01-01

    En este trabajo se ha desarrollado un sistema de adquisición de datos basado en la tarjeta digitalizadora PDA14 y en el empleo de una sonda óptica como elemento de aislamiento capaz de transmitir señales hasta un ancho de banda de 20MHz. Para su realización se ha diseñado, implementado y caracterizado la sonda óptica mediante un enlace con fibra óptica de plástico, con un módulo emisor láser semiconductor y el circuito electrónico receptor, para el cual se han comparado varios modelos de ampl...

  5. Antioxidant properties and hyphenated HPLC-PDA-MS profiling of Chilean Pica mango fruits (Mangifera indica L. Cv. piqueño).

    Science.gov (United States)

    Ramirez, Javier E; Zambrano, Ricardo; Sepúlveda, Beatriz; Simirgiotis, Mario J

    2013-12-31

    Antioxidant capacities and polyphenolic contents of two mango cultivars from northern Chile, one of them endemic of an oasis in the Atacama Desert, were compared for the first time. Twenty one phenolic compounds were detected in peel and pulp of mango fruits varieties Pica and Tommy Atkins by HPLC-PDA-MS and tentatively characterized. Eighteen compounds were present in Pica pulp (ppu), 13 in Pica peel (ppe) 11 in Tommy Atkins pulp (tpu) and 12 in Tommy Atkins peel (tpe). Three procyanidin dimers (peaks 6, 9 and 10), seven acid derivatives (peaks 1-4, 11, 20 and 21) and four xanthones were identified, mainly mangiferin (peak 12) and mangiferin gallate, (peak 7), which were present in both peel and pulp of the two studied species from northern Chile. Homomangiferin (peak 13) was also present in both fruit pulps and dimethylmangiferin (peak 14) was present only in Tommy pulp. Pica fruits showed better antioxidant capacities and higher polyphenolic content (73.76/32.23 µg/mL in the DPPH assay and 32.49/72.01 mg GAE/100 g fresh material in the TPC assay, for edible pulp and peel, respectively) than Tommy Atkins fruits (127.22/46.39 µg/mL in the DPPH assay and 25.03/72.01 mg GAE/100 g fresh material in the TPC assay for pulp and peel, respectively). The peel of Pica mangoes showed also the highest content of phenolics (66.02 mg/100 g FW) measured by HPLC-PDA. The HPLC generated fingerprint can be used to authenticate Pica mango fruits and Pica mango food products.

  6. Crystal violet: Study of the photo-fading of an early synthetic dye in aqueous solution and on paper with HPLC-PDA, LC-MS and FORS

    Energy Technology Data Exchange (ETDEWEB)

    Confortin, Daria; Brustolon, Marina; Franco, Lorenzo [Dipartimento di Scienze Chimiche, Universita degli Studi di Padova, via Marzolo 1, 35131 Padova (Italy); Neevel, Han; Bommel, Maarten R van [Netherlands Institute for Cultural Heritage (ICN), PO Box 76709, 1070 KA, Amsterdam (Netherlands); Kettelarij, Albert J; Williams, Rene M, E-mail: daria.confortin@gmail.co [Molecular Photonics Group, Van' t Hoff Institute for Molecular Sciences, Faculty of Science, Universiteit van Amsterdam, Nieuwe Achtergracht 129, 1018 WS Amsterdam (Netherlands)

    2010-06-01

    The photo-fading of crystal violet (CV), one of the earliest synthetic dyes and an ink component, is examined both in solution and on paper. Aqueous solutions of CV were exposed to UV light (365nm) and samples were taken at constant time intervals and analysed with a High Performance Liquid Chromatography-Photo Diode Array (HPLC-PDA) and Liquid Chromatography-Mass Spectroscopy (LC-MS). Demethylation products were positively identified. Also, deamination probably occurred. The oxidation at the central carbon likely generates Michler's ketone (MK) or its derivatives, but still needs confirmation. To study CV on paper, Whatman paper was immersed in CV and exposed to UV light. Before and after different irradiation periods, reflectance spectra were recorded with Fibre Optic Reflectance Spectrophotometry (FORS). A decrease in CV concentration and a change in aggregation type for CV molecules upon irradiation was observed. Colorimetric L*a*b* values before and during irradiation were also measured. Also, CV was extracted from paper before and after different irradiation periods and analysed with HPLC-PDA. Photo-fading of CV on paper produced the same products as in solution, at least within the first 100 hours of irradiation. Finally, a photo-fading of CV in the presence of MK on Whatman paper was performed. It was demonstrated that MK both accelerates CV degradation and is consumed during the reaction. The degradation pathway identified in this work is suitable for explaining the photo/fading of other dyes belonging to the triarylmethane group.

  7. Antioxidant Properties and Hyphenated HPLC-PDA-MS Profiling of Chilean Pica Mango Fruits (Mangifera indica L. Cv. piqueño

    Directory of Open Access Journals (Sweden)

    Javier E. Ramirez

    2013-12-01

    Full Text Available Antioxidant capacities and polyphenolic contents of two mango cultivars from northern Chile, one of them endemic of an oasis in the Atacama Desert, were compared for the first time. Twenty one phenolic compounds were detected in peel and pulp of mango fruits varieties Pica and Tommy Atkins by HPLC-PDA-MS and tentatively characterized. Eighteen compounds were present in Pica pulp (ppu, 13 in Pica peel (ppe 11 in Tommy Atkins pulp (tpu and 12 in Tommy Atkins peel (tpe. Three procyanidin dimers (peaks 6, 9 and 10, seven acid derivatives (peaks 1–4, 11, 20 and 21 and four xanthones were identified, mainly mangiferin (peak 12 and mangiferin gallate, (peak 7, which were present in both peel and pulp of the two studied species from northern Chile. Homomangiferin (peak 13 was also present in both fruit pulps and dimethylmangiferin (peak 14 was present only in Tommy pulp. Pica fruits showed better antioxidant capacities and higher polyphenolic content (73.76/32.23 µg/mL in the DPPH assay and 32.49/72.01 mg GAE/100 g fresh material in the TPC assay, for edible pulp and peel, respectively than Tommy Atkins fruits (127.22/46.39 µg/mL in the DPPH assay and 25.03/72.01 mg GAE/100 g fresh material in the TPC assay for pulp and peel, respectively. The peel of Pica mangoes showed also the highest content of phenolics (66.02 mg/100 g FW measured by HPLC-PDA. The HPLC generated fingerprint can be used to authenticate Pica mango fruits and Pica mango food products.

  8. 基于PDA的航空机务维修信息系统设计%Design of Aviation Maintenance Information System Based on PDA

    Institute of Scientific and Technical Information of China (English)

    符永鹏; 张焰; 宿春晓; 孟晓滨

    2011-01-01

    Our military aircraft maintenance engineers have successfully developed a portable system named "Skilled Maintenance Engineer" Personal Digital Assistant (PDA) capable of analyzing aircraft failures, which for the first time Palm PC is used in the field of aviation maintenance. The system which based on Windows CE embedded OS is safe, secret and extendible because of many a innovation adopted. The application shows that this system provides friendly man - machine interface, easy for operation and stable in performance, It has greatly improved the efficiency of the military aircraft maintenance engineers. The technology and methods adopted in the system are worthy of being used extensively.%"机务通"个人数字助理(PDA)是首次将掌上电脑技术应用于航空机务维修领域并为军方的机务维护人员研制出的一套便携式机务维修及故障信息分析系统;该系统基于WindowsCE嵌入式操作系统,由于采用了多项创新技术,使系统具有良好的安全性、保密性和扩展性;应用结果表明,该系统人机界面友好,操作方便快捷,性能稳定可靠,大大提高了我军航空机务维修人员的工作效率,并具有一定的推广价值.

  9. Molecular Recognition and Ligand Association

    Science.gov (United States)

    Baron, Riccardo; McCammon, J. Andrew

    2013-04-01

    We review recent developments in our understanding of molecular recognition and ligand association, focusing on two major viewpoints: (a) studies that highlight new physical insight into the molecular recognition process and the driving forces determining thermodynamic signatures of binding and (b) recent methodological advances in applications to protein-ligand binding. In particular, we highlight the challenges posed by compensating enthalpic and entropic terms, competing solute and solvent contributions, and the relevance of complex configurational ensembles comprising multiple protein, ligand, and solvent intermediate states. As more complete physics is taken into account, computational approaches increase their ability to complement experimental measurements, by providing a microscopic, dynamic view of ensemble-averaged experimental observables. Physics-based approaches are increasingly expanding their power in pharmacology applications.

  10. Why mercury prefers soft ligands

    Energy Technology Data Exchange (ETDEWEB)

    Riccardi, Demian M [ORNL; Guo, Hao-Bo [ORNL; Gu, Baohua [ORNL; Parks, Jerry M [ORNL; Summers, Anne [University of Georgia, Athens, GA; Miller, S [University of California, San Francisco; Liang, Liyuan [ORNL; Smith, Jeremy C [ORNL

    2013-01-01

    Mercury (Hg) is a major global pollutant arising from both natural and anthropogenic sources. Defining the factors that determine the relative affinities of different ligands for the mercuric ion, Hg2+, is critical to understanding its speciation, transformation, and bioaccumulation in the environment. Here, we use quantum chemistry to dissect the relative binding free energies for a series of inorganic anion complexes of Hg2+. Comparison of Hg2+ ligand interactions in the gaseous and aqueous phases shows that differences in interactions with a few, local water molecules led to a clear periodic trend within the chalcogenide and halide groups and resulted in the well-known experimentally observed preference of Hg2+ for soft ligands such as thiols. Our approach establishes a basis for understanding Hg speciation in the biosphere.

  11. Simultaneous determination of aegeline and six coumarins from different parts of the plant Aegle marmelos using UHPLC-PDA-MS and chiral separation of aegeline using HPLC-ToF-MS

    Science.gov (United States)

    A fast UHPLC-PDA method was developed for the simultaneous analysis of one alkaloid, aegeline, and six coumarins namely: umbelliferone; scopoletin; marmesinin; 8-hydroxypsoralen angelicin and marmelosin from leaf, fruit, root and bark of Aegle marmelos (L.) Corrêa (Rutaceae). The method was validate...

  12. Poly(ethylene glycol)s as Ligands in Calcium-Catalyzed Cyclic Carbonate Synthesis.

    Science.gov (United States)

    Steinbauer, Johannes; Werner, Thomas

    2017-08-10

    Herein the use of CaI2 in combination with poly(ethylene glycol) dimethyl ether (PEG DME 500) as an efficient catalyst system for the addition of CO2 to epoxides is reported. This protocol is based on a nontoxic and abundant metal in conjunction with a polymeric ligand. Fifteen terminal epoxides were converted at room temperature to give the desired products in yields up to 99 %. Notably, this system was also effective for the synthesis of twelve challenging internal carbonates in yields up to 98 %. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. A race for RAGE ligands.

    Science.gov (United States)

    Schleicher, Erwin D

    2010-08-01

    In experimental animals a causal involvement of the multiligand receptor for advanced glycation end products (RAGE) in the development of diabetic vascular complications has been demonstrated. However, the nature of RAGE ligands present in patients with diabetic nephropathy has not yet been defined; this leaves open the relevance of the RAGE system to the human disease.

  14. Definition of a Twelve-Point Polygonal SAA Boundaryfor the GLAST Mission

    Energy Technology Data Exchange (ETDEWEB)

    Djomehri, Sabra I.; /UC, Santa Cruz /SLAC

    2007-08-29

    The Gamma-Ray Large Area Space Telescope (GLAST), set to launch in early 2008, detects gamma rays within a huge energy range of 100 MeV - 300 GeV. Background cosmic radiation interferes with such detection resulting in confusion over distinguishing cosmic from gamma rays encountered. This quandary is resolved by encasing GLAST's Large Area Telescope (LAT) with an Anti-Coincidence Detector (ACD), a device which identifies and vetoes charged particles. The ACD accomplishes this through plastic scintillator tiles; when cosmic rays strike, photons produced induce currents in Photomultiplier Tubes (PMTs) attached to these tiles. However, as GLAST orbits Earth at altitudes {approx}550km and latitudes between -26 degree and 26 degree, it will confront the South Atlantic Anomaly (SAA), a region of high particle flux caused by trapped radiation in the geomagnetic field. Since the SAA flux would degrade the sensitivity of the ACD's PMTs over time, a determined boundary enclosing this region need be attained, signaling when to lower the voltage on the PMTs as a protective measure. The operational constraints on such a boundary require a convex SAA polygon with twelve edges, whose area is minimal ensuring GLAST has maximum observation time. The AP8 and PSB97 models describing the behavior of trapped radiation were used in analyzing the SAA and defining a convex SAA boundary of twelve sides. The smallest possible boundary was found to cover 14.58% of GLAST's observation time. Further analysis of defining a boundary safety margin to account for inaccuracies in the models reveals if the total SAA hull area is increased by {approx}20%, the loss of total observational area is < 5%. These twelve coordinates defining the SAA flux region are ready for implementation by the GLAST satellite.

  15. The correlation between reading and mathematics ability at age twelve has a substantial genetic component.

    Science.gov (United States)

    Davis, Oliver S P; Band, Gavin; Pirinen, Matti; Haworth, Claire M A; Meaburn, Emma L; Kovas, Yulia; Harlaar, Nicole; Docherty, Sophia J; Hanscombe, Ken B; Trzaskowski, Maciej; Curtis, Charles J C; Strange, Amy; Freeman, Colin; Bellenguez, Céline; Su, Zhan; Pearson, Richard; Vukcevic, Damjan; Langford, Cordelia; Deloukas, Panos; Hunt, Sarah; Gray, Emma; Dronov, Serge; Potter, Simon C; Tashakkori-Ghanbaria, Avazeh; Edkins, Sarah; Bumpstead, Suzannah J; Blackwell, Jenefer M; Bramon, Elvira; Brown, Matthew A; Casas, Juan P; Corvin, Aiden; Duncanson, Audrey; Jankowski, Janusz A Z; Markus, Hugh S; Mathew, Christopher G; Palmer, Colin N A; Rautanen, Anna; Sawcer, Stephen J; Trembath, Richard C; Viswanathan, Ananth C; Wood, Nicholas W; Barroso, Ines; Peltonen, Leena; Dale, Philip S; Petrill, Stephen A; Schalkwyk, Leonard S; Craig, Ian W; Lewis, Cathryn M; Price, Thomas S; Donnelly, Peter; Plomin, Robert; Spencer, Chris C A

    2014-07-08

    Dissecting how genetic and environmental influences impact on learning is helpful for maximizing numeracy and literacy. Here we show, using twin and genome-wide analysis, that there is a substantial genetic component to children's ability in reading and mathematics, and estimate that around one half of the observed correlation in these traits is due to shared genetic effects (so-called Generalist Genes). Thus, our results highlight the potential role of the learning environment in contributing to differences in a child's cognitive abilities at age twelve.

  16. New Eyes on the Universe Twelve Cosmic Mysteries and the Tools We Need to Solve Them

    CERN Document Server

    Webb, Stephen

    2012-01-01

    "New Eyes on the Universe -- Twelve Cosmic Mysteries and the Tools We Need to Solve Them" gives an up-to-date broad overview of some of the key issues in modern astronomy and cosmology. It describes the vast amount of observational data that the new generation of observatories and telescopes are currently producing, and how that data might solve some of the outstanding puzzles inherent in our emerging world view. Included are questions such as: What is causing the Universe to blow itself apart? What could be powering the luminous gamma-ray bursters? Where is all the matter in the Uni

  17. DETECTION OF CHROMOSOME ABERRATIONS IN TWELVE PRIMARY GASTRIC CANCERS BY DIRECT CHROMOSOME ANALYSIS AND FISH

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    Direct chromosome analysis and FISH were performed on twelve primary gastric carcinomas. Two of them had simple chromosome changes: 48,XX, +8, +20, and 49, XY, +2, +8, +9, and the others had complicated chromosome changes, which includes much more numerical and structural chromosome aberrations. Frequent structural changes in the complicated types involved chromosome 7, 3, 1, 5 and 12 etc. The del 7q was noted in eight cases. The del (3p) and del (1p) were noted in six and five cases, respectively. The results provide some important clues for isolation of the genes related to gastric cancer.

  18. Developing a learning culture: twelve tips for individuals, teams and organizations.

    Science.gov (United States)

    Stinson, Lynn; Pearson, David; Lucas, Beverley

    2006-06-01

    A culture of learning in providing health services and education for health professionals is a constant challenge for individuals, team and organizations. The importance of such a culture was highlighted by the findings of the Bristol Royal Infirmary Inquiry (2001). This was discussed in the context of the literature on the Learning Organization (Senge, 1990) at the 2004 Association of Medical Education in Europe (AMEE) conference, and reviewed a year later at the 2005 AMEE conference. This paper outlines twelve tips for educational and health service organizations in facilitating a culture of learning for their members and also offers specific advice to individual students and professionals.

  19. Work environment perceptions following relocation to open-plan offices: A twelve-month longitudinal study.

    Science.gov (United States)

    Bergström, Jessica; Miller, Michael; Horneij, Eva

    2015-01-01

    A workplace's design can have various positive or negative effects on the employees and since the 1970s the advantages and disadvantages of open-plan offices have been discussed. The aim of this study was to investigate perceived health, work environment and self-estimated productivity one month before and at three, six and twelve months after relocation from individual offices to an open-plan office environment. Employees from three departments within the same company group and who worked with relatively similar tasks and who were planned to be relocated from private offices to open-plan offices were invited to participate. Questionnaires comprising items from The Salutogenic Health Indicator Scale, The Work Experience Measurement Scale, the questionnaire by Brennan et al. about perceived performance and one question from the Work Ability Index were sent to participants one month before relocation (baseline) to open-plan offices and then at three, six and twelve months after relocation. At baseline, 82 questionnaires were sent out. The response rate was 85%. At the follow-ups 77-79 questionnaires were sent out and the response-rate was 70%-81%. At follow-ups, perceived health, job satisfaction and performance had generally deteriorated. The results of the study indicate that employees' perception of health, work environment and performance decreased during a 12 month period following relocation from individual offices to open-plan offices.

  20. Approximate analytic method for high-apogee twelve-hour orbits of artificial Earth's satellites

    Science.gov (United States)

    Vashkovyaka, M. A.; Zaslavskii, G. S.

    2016-09-01

    We propose an approach to the study of the evolution of high-apogee twelve-hour orbits of artificial Earth's satellites. We describe parameters of the motion model used for the artificial Earth's satellite such that the principal gravitational perturbations of the Moon and Sun, nonsphericity of the Earth, and perturbations from the light pressure force are approximately taken into account. To solve the system of averaged equations describing the evolution of the orbit parameters of an artificial satellite, we use both numeric and analytic methods. To select initial parameters of the twelve-hour orbit, we assume that the path of the satellite along the surface of the Earth is stable. Results obtained by the analytic method and by the numerical integration of the evolving system are compared. For intervals of several years, we obtain estimates of oscillation periods and amplitudes for orbital elements. To verify the results and estimate the precision of the method, we use the numerical integration of rigorous (not averaged) equations of motion of the artificial satellite: they take into account forces acting on the satellite substantially more completely and precisely. The described method can be applied not only to the investigation of orbit evolutions of artificial satellites of the Earth; it can be applied to the investigation of the orbit evolution for other planets of the Solar system provided that the corresponding research problem will arise in the future and the considered special class of resonance orbits of satellites will be used for that purpose.

  1. Global surface temperature change analysis based on MODIS data in recent twelve years

    Science.gov (United States)

    Mao, K. B.; Ma, Y.; Tan, X. L.; Shen, X. Y.; Liu, G.; Li, Z. L.; Chen, J. M.; Xia, L.

    2017-01-01

    Global surface temperature change is one of the most important aspects in global climate change research. In this study, in order to overcome shortcomings of traditional observation methods in meteorology, a new method is proposed to calculate global mean surface temperature based on remote sensing data. We found that (1) the global mean surface temperature was close to 14.35 °C from 2001 to 2012, and the warmest and coldest surface temperatures of the global in the recent twelve years occurred in 2005 and 2008, respectively; (2) the warmest and coldest surface temperatures on the global land surface occurred in 2005 and 2001, respectively, and on the global ocean surface in 2010 and 2008, respectively; and (3) in recent twelve years, although most regions (especially the Southern Hemisphere) are warming, global warming is yet controversial because it is cooling in the central and eastern regions of Pacific Ocean, northern regions of the Atlantic Ocean, northern regions of China, Mongolia, southern regions of Russia, western regions of Canada and America, the eastern and northern regions of Australia, and the southern tip of Africa. The analysis of daily and seasonal temperature change indicates that the temperature change is mainly caused by the variation of orbit of celestial body. A big data model based on orbit position and gravitational-magmatic change of celestial body with the solar or the galactic system should be built and taken into account for climate and ecosystems change at a large spatial-temporal scale.

  2. Comparative assay of fluorescent antibody test results among twelve European National Reference Laboratories using various anti-rabies conjugates

    DEFF Research Database (Denmark)

    Robardet, E.; Andrieu, S.; Rasmussen, Thomas Bruun

    2013-01-01

    Twelve National Reference Laboratories (NRLs) for rabies have undertaken a comparative assay to assess the comparison of fluorescent antibody test (FAT) results using five coded commercial anti-rabies conjugates (Biorad, Bioveta, Fujirebio, Millipore, and SIFIN conjugates). Homogenized positive...

  3. Controlled-deactivation cannabinergic ligands.

    Science.gov (United States)

    Sharma, Rishi; Nikas, Spyros P; Paronis, Carol A; Wood, Jodianne T; Halikhedkar, Aneetha; Guo, Jason Jianxin; Thakur, Ganesh A; Kulkarni, Shashank; Benchama, Othman; Raghav, Jimit Girish; Gifford, Roger S; Järbe, Torbjörn U C; Bergman, Jack; Makriyannis, Alexandros

    2013-12-27

    We report an approach for obtaining novel cannabinoid analogues with controllable deactivation and improved druggability. Our design involves the incorporation of a metabolically labile ester group at the 2'-position on a series of (-)-Δ(8)-THC analogues. We have sought to introduce benzylic substituents α to the ester group which affect the half-lives of deactivation through enzymatic activity while enhancing the affinities and efficacies of individual ligands for the CB1 and CB2 receptors. The 1'-(S)-methyl, 1'-gem-dimethyl, and 1'-cyclobutyl analogues exhibit remarkably high affinities for both CB receptors. The novel ligands are susceptible to enzymatic hydrolysis by plasma esterases in a controllable manner, while their metabolites are inactive at the CB receptors. In further in vitro and in vivo experiments key analogues were shown to be potent CB1 receptor agonists and to exhibit CB1-mediated hypothermic and analgesic effects.

  4. Privileged chiral ligands and catalysts

    CERN Document Server

    Zhou, Qi-Lin

    2011-01-01

    This ultimate ""must have"" and long awaited reference for every chemist working in the field of asymmetric catalysis starts with the core structure of the catalysts, explaining why a certain ligand or catalyst is so successful. It describes in detail the history, the basic structural characteristics, and the applications of these ""privileged catalysts"". A novel concept that gives readers a much deeper insight into the topic.

  5. Tumor targeting via integrin ligands

    Directory of Open Access Journals (Sweden)

    Udaya Kiran eMarelli

    2013-08-01

    Full Text Available Selective and targeted delivery of drugs to tumors is a major challenge for an effective cancer therapy and also to overcome the side effects associated with current treatments. Overexpression of various receptors on tumor cells is a characteristic structural and biochemical aspect of tumors and distinguishes them from physiologically normal cells. This abnormal feature is therefore suitable for selectively directing anticancer molecules to tumors by using ligands that can preferentially recognize such receptors. Several subtypes of integrin receptors that are crucial for cell adhesion, cell signaling, cell viability and motility have been shown to have an upregulated expression on cancer cells. Thus, ligands that recognize specific integrin subtypes represent excellent candidates to be conjugated to drugs or drug carrier systems and be targeted to tumors. In this regard, integrins recognizing the RGD cell adhesive sequence have been extensively targeted for tumor specific drug delivery. Here we review key recent examples on the presentation of RGD-based integrin ligands by means of distinct drug delivery systems, and discuss the prospects of such therapies to specifically target tumor cells.

  6. HPLC-PDA method for quinovic acid glycosides assay in Cat's claw (Uncaria tomentosa) associated with UPLC/Q-TOF-MS analysis.

    Science.gov (United States)

    Pavei, Cabral; Kaiser, Samuel; Verza, Simone Gasparin; Borre, Gustavo Luis; Ortega, George Gonzalez

    2012-03-25

    Uncaria tomentosa (Willd.) is a medicinal plant largely used in folk medicine due to its wide range of biological activities, many of which are usually ascribed to the two main classes of secondary metabolites, namely, alkaloids and quinovic acid glycosides. In this work, a reversed phase HPLC-PDA method was developed and validated for the assay of quinovic acid glycosides in crude and dried extracts of Uncaria tomentosa (Cat's claw) bark. The validation comprised tests of specificity, accuracy, linearity, intermediate precision, repeatability and limits of detection and of quantification. Alpha-hederin was used as the external standard. High coefficients of determination with lower R.S.D. were achieved for both external standard and crude extract. The structural characterization of the main quinovic acid glycosides presented in the crude extract was carried out through UPLC/Q-TOF-MS. The identities of the compounds were obtained through the comparison of their fragmentation patterns with those reported in the literature. The analytical method was successfully applied for quantifying quinovic acid glycosides in two different dried extracts from U. tomentosa and in one quinovic acid glycosides purified fraction. Copyright © 2012 Elsevier B.V. All rights reserved.

  7. Microextraction by packed sorbent and HPLC-PDA quantification of multiple anti-inflammatory drugs and fluoroquinolones in human plasma and urine.

    Science.gov (United States)

    D'Angelo, Veronica; Tessari, Francesco; Bellagamba, Giuseppe; De Luca, Elisa; Cifelli, Roberta; Celia, Christian; Primavera, Rosita; Di Francesco, Martina; Paolino, Donatella; Di Marzio, Luisa; Locatelli, Marcello

    2016-01-01

    We developed and validated an analytical method based on microextraction packed sorbent (MEPS) and high-performance liquid chromatography (HPLC) coupled to photodiode array (PDA) detector to simultaneously quantify multiple nonsteroidal anti-inflammatory drugs (NSAIDs) and fluoroquinolones (FLQs), which may provide as combination several adverse reactions in nephrology and neurology. The linearity range from LOQs (0.1 μg/mL) to 10 μg/mL, and LODs values were 0.03 μg/mL for both NSAIDs and FLQs. The validation was performed according to international guidelines and the accuracy was tested measuring the precision, intermediate precision and trueness. The drugs stability was tested under different storage conditions (+4 °C and -20 °C) and after three different cycles of freezing and thawing. The method can be a suitable tool to simultaneously detect a possible association of drugs in human biological samples and provide several potentialities for clinical applications, bioequivalence studies, pharmacodynamics and toxicodynamics of different pharmaceutical dosage forms showing NSAIDs and FLQs.

  8. Phytochemical screening by LC-MS and LC-PDA of ethanolic extracts from the fruits of Kigelia africana (Lam.) Benth.

    Science.gov (United States)

    Costa, Rosaria; Albergamo, Ambrogina; Pellizzeri, Vito; Dugo, Giacomo

    2017-06-01

    Kigelia africana is a tree native to Africa, with a local employment in numerous fields, ranging from traditional medicine to cosmetics and religious rituals. Parts of the plant generally used are stem bark, fruits, roots and leaves. The fruits, which have a singular 'sausage' shape, are widely exploited by local folk, in particular for applications/products involving genito-urinary apparatus of both human genders. The scope of this work was to make a consistent chemical investigation on this plant species, in order to clarify and increase the information at present available in literature. To this aim, ethanolic extracts of K. africana fruits were analysed by high-performance liquid chromatography with photodiode array (HPLC-PDA) and electrospray-mass spectrometry (HPLC-ESI-MS) detection, revealing the presence of polyphenols and iridoids. The two detection systems used along with standard co-injection and comparison with previous reports, led to the identification and quantification of six phenolic compounds and three iridoids.

  9. Fast UPLC/PDA determination of squalene in Sicilian P.D.O. pistachio from Bronte: Optimization of oil extraction method and analytical characterization.

    Science.gov (United States)

    Salvo, Andrea; La Torre, Giovanna Loredana; Di Stefano, Vita; Capocchiano, Valentina; Mangano, Valentina; Saija, Emanuele; Pellizzeri, Vito; Casale, Katia Erminia; Dugo, Giacomo

    2017-04-15

    A fast reversed-phase UPLC method was developed for squalene determination in Sicilian pistachio samples that entry in the European register of the products with P.D.O. In the present study the SPE procedure was optimized for the squalene extraction prior to the UPLC/PDA analysis. The precision of the full analytical procedure was satisfactory and the mean recoveries were 92.8±0.3% and 96.6±0.1% for 25 and 50mgL(-1) level of addition, respectively. Selected chromatographic conditions allowed a very fast squalene determination; in fact it was well separated in ∼0.54min with good resolution. Squalene was detected in all the pistachio samples analyzed and the levels ranged from 55.45-226.34mgkg(-1). Comparing our results with those of other studies it emerges that squalene contents in P.D.O. Sicilian pistachio samples, generally, were higher than those measured for other samples of different geographic origins.

  10. Mejora de la calidad y disminución de costos de censos y encuestas utilizando computadores de mano (PDA. Una aplicación en Costa Rica

    Directory of Open Access Journals (Sweden)

    Jeisson Hidalgo-Céspedes

    2007-01-01

    Full Text Available Los datos sobre la población en países en desarrollo se obtienen principalmente de las visitas a los hogares. Ejércitos de entrevistadores recolectan esos datos usando cuestionarios en papel (PAPI, paper and pencil method, pero tal información se infesta de errores no aleatorios. La reciente tecnología de las entrevistas asistidas por computadora (CAPI es un avance importante sobre PAPI en lo que respecta a reducción de errores y los tiempos de espera en la disponibilidad de los datos. Pero la tecnología CAPI ha sido de difícil implementación en los países en desarrollo debido a restricciones ergonómicas, costos y delincuencia asociada a las computadoras portátiles (laptops. Por esto, el CCP ha desarrollado un sistema CAPI para PDA (Personal Digital Assistant o computadora de mano, que podría revolucionar la forma en que los datos son obtenidos, reduciendo el fraude, errores, tiempos y costos incluso para encuestas complejas. Este artículo reporta las lecciones aprendidas de usar este sistema en el estudio CRELES en Costa Rica.

  11. Transverse momentum distributions of final-state particles produced in AA, p(d)A, and pp collisions at high energies

    Science.gov (United States)

    Liu, Fu-Hu

    2008-08-01

    In the framework of the cylinder model, the transverse momentum distributions of final-state particles produced in nucleus-nucleus ( AA), proton(deuteron)-nucleus [ p(d)A], and proton-proton ( pp) collisions at high energies are investigated by a semi-empirical two-component distribution. In the region closing the side-surface of the cylinder, the local source stays in a low excitation state; and in the region closing the central axis of the cylinder, the local source stays in a high excitation state. The calculated results are in agreement with the experimental data of Cu sbnd Cu collisions at √{s}=22.5 GeV measured by the PHENIX Collaboration, p-Pb collisions at 400 GeV measured by the NA50 Collaboration, d-Au collisions at √{s}=200 GeV measured by the PHENIX Collaboration, and pp collisions at √{s}=200 GeV measured by the PHENIX and BRAHMS Collaborations.

  12. Errors analysis in the evaluation of particle concentration by PDA on a turbulent two-phase jet: application for cross section and transit time methods

    Energy Technology Data Exchange (ETDEWEB)

    Calvo, Esteban; Garcia, Juan A.; Garcia, Ignacio; Aisa, Luis A. [University of Zaragoza, Area de Mecanica de Fluidos, Centro Politecnico Superior, Zaragoza (Spain)

    2009-09-15

    Phase-Doppler anemometry (PDA) is a powerful tool for two-phase flow measurements and testing. Particle concentration and mass flux can also be evaluated using the raw particle data supplied by this technique. The calculation starts from each particle velocity, diameter, transit time data, and the total measurement time. There are two main evaluation strategies. The first one uses the probe volume effective cross section, and it is usually simplified assuming that particles follow quasi one-directional trajectories. In the text, it will be called the cross section method. The second one includes a set of methods which will be denoted as ''Generalized Integral Methods'' (GIM). Concentration algorithms such as the transit time method (TTM) and the integral volume method (IVM) are particular cases of the GIM. In any case, a previous calibration of the measurement volume geometry is necessary to apply the referred concentration evaluation methods. In this study, concentrations and mass fluxes both evaluated by the cross-section method and the TTM are compared. Experimental data are obtained from a particle-laden jet generated by a convergent nozzle. Errors due to trajectory dispersion, burst splitting, and multi-particle signals are discussed. (orig.)

  13. Development and validation of simple RP-HPLC-PDA analytical protocol for zileuton assisted with Design of Experiments for robustness determination

    Directory of Open Access Journals (Sweden)

    Saurabh B. Ganorkar

    2017-02-01

    Full Text Available A simple, rapid, sensitive, robust, stability-indicating RP-HPLC-PDA analytical protocol was developed and validated for the analysis of zileuton racemate in bulk and in tablet formulation. Development of method and resolution of degradation products from forced; hydrolytic (acidic, basic, neutral, oxidative, photolytic (acidic, basic, neutral, solid state and thermal (dry heat degradation was achieved on a LC – GC Qualisil BDS C18 column (250 mm × 4.6 mm × 5 μm by isocratic mode at ambient temperature, employing a mobile phase methanol and (0.2%, v/v orthophosphoric acid in ratio of (80:20, v/v at a flow rate of 1.0 mL min−1 and detection at 260 nm. ‘Design of Experiments’ (DOE employing ‘Central Composite Design’ (CCD and ‘Response Surface Methodology’ (RSM were applied as an advancement to traditional ‘One Variable at Time’ (OVAT approach to evaluate the effects of variations in selected factors (methanol content, flow rate, concentration of orthophosphoric acid as graphical interpretation for robustness and statistical interpretation was achieved with Multiple Linear Regression (MLR and ANOVA. The method succeeded over the validation parameters: linearity, precision, accuracy, limit of detection and limit of quantitation, and robustness. The method was applied effectively for analysis of in-house zileuton tablets.

  14. Phytochemical, antioxidant and antidiabetic evaluation of eight Bauhinia L. species from Egypt using UHPLC-PDA-qTOF-MS and chemometrics.

    Science.gov (United States)

    Farag, Mohamed A; Sakna, Sarah T; El-Fiky, Nabaweya M; Shabana, Marawan M; Wessjohann, Ludger A

    2015-11-01

    Bauhinia L. (Fabaceae) comprises ca. 300-350 plant species, many of which are traditionally used in folk medicine for their antidiabetic, antioxidant and anti-inflammatory effects. Bauhinia s.l. recently has been subdivided into 9 genera based on phylogenetic data: Bauhinia s.str., Barklya, Brenierea, Gigasiphon, Lysiphyllum, Phanera, Piliostigma, Schnella (American Phanera) and Tylosema. The aerial parts of 8 species corresponding to 5 genera were analyzed: Bauhinia forficata, Bauhinia variegata, B. variegata var. candida, Bauhinia galpinii, Schnella glabra, Piliostigma racemosa, Phanera vahlii and Lysiphyllum hookeri. Leaves and shoots were subjected to metabolite profiling via UHPLC-PDA-qTOF-MS coupled to multivariate data analyzes to identify compound compositional differences. A total of 90 metabolites were identified including polyphenols and fatty acids; flavonoid conjugates accounted for most of the metabolite variation observed. This study provides a comprehensive map of polyphenol composition in Bauhinia and phytochemical species aggregations are consistent with recent Bauhinia genus taxonomic relationship derived from phylogenetic studies. DPPH radical scavenging and α-glucosidase inhibitory assays were also performed to assess selected aspects of the antioxidant and antidiabetic potential for the examined species with respect to metabolite profiles.

  15. PDA-phone-based instant transmission of radiological images over a CDMA network by combining the PACS screen with a Bluetooth-interfaced local wireless link.

    Science.gov (United States)

    Kim, Dong Keun; Yoo, Sun K; Park, Jeong Jin; Kim, Sun Ho

    2007-06-01

    Remote teleconsultation by specialists is important for timely, correct, and specialized emergency surgical and medical decision making. In this paper, we designed a new personal digital assistant (PDA)-phone-based emergency teleradiology system by combining cellular communication with Bluetooth-interfaced local wireless links. The mobility and portability resulting from the use of PDAs and wireless communication can provide a more effective means of emergency teleconsultation without requiring the user to be limited to a fixed location. Moreover, it enables synchronized radiological image sharing between the attending physician in the emergency room and the remote specialist on picture archiving and communication system terminals without distorted image acquisition. To enable rapid and fine-quality radiological image transmission over a cellular network in a secure manner, progressive compression and security mechanisms have been incorporated. The proposed system is tested over a code division Multiple Access 1x-Evolution Data-Only network to evaluate the performance and to demonstrate the feasibility of this system in a real-world setting.

  16. A fast and environment-friendly MEPSPEP/UHPLC-PDA methodology to assess 3-hydroxy-4,5-dimethyl-2(5H)-furanone in fortified wines.

    Science.gov (United States)

    Freitas, Jorge; Perestrelo, Rosa; Cassaca, Rubina; Castillo, Mariangie; Santos, Mariana; Pereira, Jorge; Câmara, José S

    2017-01-01

    Sotolon is widely associated with the quality of fortified aged wines, and has also been linked to premature oxidative aging (premox). Here we developed a single, fast and environmental-friendly microextraction by packed sorbent ultra-high pressure liquid chromatography analysis (MEPS/UHPLC-PDA) for sotolon quantification in different wines. The best extraction conditions (loading three times 250μL samples through the MEPSPEP sorbent and elution with 100μL of 50% MeOH) were combined with a fast UHPLC separation (5min separation using acidified 10% MeOH isocratic flow in a CORTECS C18 column) to allow unparalleled minimum sample and solvents volumes usage. The validated methodology showed good linearity (r(2)>0.993) and precision (81%) and detection limits (0.45-2.51μg/L) far below sotolon odor threshold for any type of wine. The methodology was successfully applied to selected white table and Madeira wines, encompassing therefore a wide range of alcohol and sugar contents. Furthermore, as far we may know, this is the first time a single methodology can be used to assess both wine aging or premox according to the type of wine.

  17. Mejora de la calidad y disminución de costos de censos y encuestas utilizando computadores de mano (PDA. Una aplicación en Costa Rica

    Directory of Open Access Journals (Sweden)

    Antich-Montero, Daniel

    2007-07-01

    Full Text Available Los datos sobre la población en países en desarrollo se obtienen principalmente de las visitas a los hogares. Ejércitos de entrevistadores recolectan esos datos usando cuestionarios en papel (PAPI, paper and pencil method, pero tal información se infesta de errores no aleatorios. La reciente tecnología de las entrevistas asistidas por computadora (CAPI es un avance importante sobre PAPI en lo que respecta a reducción de errores y los tiempos de espera en la disponibilidad de los datos. Pero la tecnología CAPI ha sido de difícil implementación en los países en desarrollo debido a restricciones ergonómicas, costos y delincuencia asociada a las computadoras portátiles (laptops. Por esto, el Centro Centroamericano de Población (CCP ha desarrollado un sistema CAPI para PDA (Personal Digital Assistant o computadora de mano, que podría revolucionar la forma en que los datos son obtenidos, reduciendo el fraude, errores, tiempos y costos incluso para encuestas complejas. Este artículo reporta las lecciones aprendidas de usar este sistema en el estudio CRELES en Costa Rica.

  18. Optimization and Validation of a Sensitive Method for HPLC-PDA Simultaneous Determination of Torasemide and Spironolactone in Human Plasma using Central Composite Design.

    Science.gov (United States)

    Subramanian, Venkatesan; Nagappan, Kannappan; Sandeep Mannemala, Sai

    2015-01-01

    A sensitive, accurate, precise and rapid HPLC-PDA method was developed and validated for the simultaneous determination of torasemide and spironolactone in human plasma using Design of experiments. Central composite design was used to optimize the method using content of acetonitrile, concentration of buffer and pH of mobile phase as independent variables, while the retention factor of spironolactone, resolution between torasemide and phenobarbitone; and retention time of phenobarbitone were chosen as dependent variables. The chromatographic separation was achieved on Phenomenex C(18) column and the mobile phase comprising 20 mM potassium dihydrogen ortho phosphate buffer (pH-3.2) and acetonitrile in 82.5:17.5 v/v pumped at a flow rate of 1.0 mL min(-1). The method was validated according to USFDA guidelines in terms of selectivity, linearity, accuracy, precision, recovery and stability. The limit of quantitation values were 80 and 50 ng mL(-1) for torasemide and spironolactone respectively. Furthermore, the sensitivity and simplicity of the method suggests the validity of method for routine clinical studies.

  19. Comparison of the Trace Elements and Active Components of Lonicera japonica flos and Lonicera flos Using ICP-MS and HPLC-PDA.

    Science.gov (United States)

    Zhao, Yueran; Dou, Deqiang; Guo, Yueqiu; Qi, Yue; Li, Jun; Jia, Dong

    2017-09-01

    Thirteen trace elements and active constituents of 40 batches of Lonicera japonica flos and Lonicera flos were comparatively studied using inductively coupled plasma mass-spectrometry (ICP-MS) and high-performance liquid chromatography-photodiode array (HPLC-PDA). The trace elements were (24)Mg, (52)Cr, (55)Mn, (57)Fe, (60)Ni, (63)Cu, (66)Zn, (75)As, (82)Se, (98)Mo, (114)Cd, (202)Hg, and (208)Pb, and the active compounds were chlorogenic acid, 3,5-O-dicaffeoylquinc acid, 4,5-O-dicaffeoylquinc acid, luteolin-7-O-glucoside, and 4-O-caffeoylquinic acid. The data of 18 variables were statistically processed using principal component analysis (PCA) and discriminate analysis (DA) to classify L. japonica flos and L. flos. The validated method was developed to divide the 40 samples into two groups based on the PCA in terms of 18 variables. Furthermore, the species of Lonicera was better discriminated by using DA with 12 variables. These results suggest that the method and statistical analysis of the contents of trace elements and chemical components can classify the L. japonica flos and L. flos using 12 variables, such as 3,5-O-dicaffeoylquincacid, luteolin-7-O-glucoside, Cd, Mn, Hg, Pb, Ni, 4-O-caffeoyl-quinic acid, 4,5-O-dicaffeoylquinc acid, Fe, Mg, and Cr.

  20. Analysis of data captured by barcode medication administration system using a PDA; aiming at reducing medication errors at point of care in Japanese Red Cross Kochi Hospital.

    Science.gov (United States)

    Akiyama, Masanori; Koshio, Atsushi; Kaihotsu, Nobuyuki

    2010-01-01

    Preventing medication errors by using a barcode administration system has become prevalent in patient safety. Analyses of data captured by bar code systems provide opportunities to understand the actual situation at the point of care. Our study aims at understanding issues of medication safety as well as investigating measures taken to prevent medication accidents, by analyzing data captured by a bar code system and a personal digital assistant (PDA). The barcode administration system named Point-of-Act-System implemented in Japanese Red Cross Kochi Hospital was designed to capture every activity at the bedside. Complete activity data captured by the system, which included injections, treatment and other nursing activity, as well as injection warning data, were used for our analyses. We describe the data and analyze them statistically to find potentially times of risk and to ascertain the relation between busyness and error. The injection warning rate as a whole was 6.1% on average. The results showed there was a negative correlation between the number of injections given and the injection warning rate (-0.48, pmedication safety. A bar code administration system is quite an effective way not only to prevent medication error at point of care, but also to improve patient safety through analyses of data captured by such a system.

  1. HPLC-PDA-MS and NMR characterization of a hydroalcoholic extract of Citrus aurantium L. var. amara peel with antiedematogenic activity.

    Science.gov (United States)

    Mencherini, Teresa; Campone, Luca; Piccinelli, Anna Lisa; Mesa, Milagros García; Sánchez, Dulce María; Aquino, Rita Patrizia; Rastrelli, Luca

    2013-02-27

    The phytochemical profile of a hydroalcoholic extract of Citrus aurantium var. amara L. peel, used as herbal medicine, was characterized by HPLC-PDA-MS. Two di-C-glycosyl flavones (vincenin II and diosmetin 6,8-di-C-glucoside), a series of flavones (luteolin 7-O-neohesperidoside, rhoifolin, and neodiosmin), and flavanone (neoeriocitrin, naringin, and neohesperidin) 7-O-neohesperidosides and two methoxyflavones (nobiletin and tangeretin), commonly present in Citrus, were identified. Furthermore, brutieridin and melitidin, two 3-hydroxy-3-methylglutaryl flavanone glycosides, were also characterized along with rhoifolin 4'-glucoside and three coumarins (8,3'-β-D-glucopyranosyloxy-2'-hydroxy-3'-methylbutyl-7-methoxycoumarin, merazin hydrate, and isomerazin). A preparative isolation procedure followed by NMR spectroscopy confirmed the proposed structures of the major flavonoids and identified the coumarins. The phenolic content was found to be 14.8 mg mL(-1), and naringin and neohesperidin were the compounds present in the highest concentration (3.6 and 2.6 mg mL(-1)). The extract of C. aurantium peel inhibited significantly (p < 0.05) both histamine- and dextran-induced edema in rats in a concentration-dependent manner (IC(50) = 119.6 and 118.3 mg kg(-1), respectively), providing evidence for the therapeutic use of C. aurantium var. amara peel.

  2. The principal toxic glycosidic steroids in Cerbera manghas L. seeds: identification of cerberin, neriifolin, tanghinin and deacetyltanghinin by UHPLC-HRMS/MS, quantification by UHPLC-PDA-MS.

    Science.gov (United States)

    Carlier, Jérémy; Guitton, Jérôme; Bévalot, Fabien; Fanton, Laurent; Gaillard, Yvan

    2014-07-01

    The toxicity of the sea mango (Cerbera manghas L.) is well known. The plant is ranked as one of the deadliest of the southern Asian coastline. Cardenolidic heterosides are responsible for the cardiotoxicity of trees of the Cerbera genus. We have identified and determined the concentration of the principal glycosidic steroids present in the seeds of sea mangos (Thailand). Drug screening of an extract of the seeds was carried out using ultra-high performance liquid chromatography coupled to photodiode array detection and mass spectrometry (UHPLC-PDA-MS) with quantification at 219nm. Identification was confirmed by UHPLC-HRMS. Deacetyltanghinin (m/z 549.3055±2ppm), neriifolin (m/z 535.3259±2ppm), tanghinin (m/z 591.3169±2ppm) and cerberin (577.3375±2ppm) were the most abundant glycosidic steroids present in the sea mango seeds. A seed of the dried ripe fruit had concentrations of 1209.1, 804.2, 621.4 and 285.9μg/g, respectively. A seed of the fresh unripe fruit had concentrations of 49.4, 47.0, 3.5 and 2.3μg/g.

  3. Exploring Content Schemata Influence on L2 Reading: The Hunted Fox and Twelve and Not Stupid

    Directory of Open Access Journals (Sweden)

    Amizura Hanadi Mohd Radzi

    2014-10-01

    Full Text Available This paper will discuss the aspects of content schemata in second language reading among diploma level students who were taking a reading course in Universiti Teknologi MARA Perlis. In this qualitative case study, the researcher had selected two short stories that are categorized as content-familiar texts, i.e. The Hunted Fox and Twelve and Not Stupid. Six participants were asked to write a 150-word entry response on the short story and a grading criteria was used to assess the participants’ level of comprehension. An in-depth interview was also conducted on each participant. The entry responses and the interview patterns were analyzed to determine whether content schemata had contributed to the learners’ understanding of the text. This study discovered that content schemata had contributed to the learners’ understanding of the text because the learners’ comprehension was facilitated by their background knowledge on the content-familiar texts.

  4. Development and characterization of twelve microsatellite markers for Porphyra linearis Greville.

    Science.gov (United States)

    Varela-Álvarez, Elena; Paulino, Cristina; Serrão, Ester A

    2017-02-01

    The genus Porphyra (and its sister genus Pyropia) contains important red algal species that are cultivated and/or harvested for human consumption, sustaining a billion-dollar aquaculture industry. A vast amount of research has been focused on species of this genus, including studies on genetics and genomics among other areas. Twelve novel microsatellite markers were developed here for Porphyra linearis. Markers were characterized using 32 individuals collected from four natural populations of P. linearis with total heterozygosity varying from 0.098 to 0.916. The number of alleles per locus ranged from 2 to 18. All markers showed cross amplification with Porphyra umbilicalis and/or Porphyra dioica. These polymorphic microsatellite markers are useful for investigating population genetic diversity and differentiation in P. linearis and may become useful for other genetic research on the reproductive biology of this important species.

  5. Proteomic characterization of human milk whey proteins during a twelve-month lactation period.

    Science.gov (United States)

    Liao, Yalin; Alvarado, Rudy; Phinney, Brett; Lönnerdal, Bo

    2011-04-01

    Human milk is a rich source of bioactive proteins that support the early growth and development of the newborn. Although the major components of the protein fraction in human milk have been studied, the expression and relative abundance of minor components have received limited attention. We examined the expression of low-abundance proteins in the whey fraction of human milk and their dynamic changes over a twelve-month lactation period. The low-abundance proteins were enriched by ProteoMiner beads, and protein identification was performed by liquid chromatography tandem mass spectrometry. One hundred and fifteen proteins were identified, thirty-eight of which have not been previously reported in human colostrum or milk. We also for the first time described differences in protein patterns among the low-abundance proteins during lactation. These results enhance our knowledge about the complexity of the human milk proteome, which constitutes part of the advantages to the breast-fed infant.

  6. Fate of the conformal fixed point with twelve massless fermions and SU(3) gauge group

    CERN Document Server

    Fodor, Zoltan; Kuti, Julius; Mondal, Santanu; Nogradi, Daniel; Wong, Chik Him

    2016-01-01

    We report new results on the conformal properties of an important strongly coupled gauge theory, a building block of composite Higgs models beyond the Standard Model. With twelve massless fermions in the fundamental representation of the SU(3) color gauge group, an infrared fixed point of the $\\beta$-function was recently reported in the theory (Cheng:2014jba) with uncertainty in the location of the critical gauge coupling inside the narrow $[ 6.0

  7. Twelve Years of Education and Public Outreach with the Fermi Gamma-ray Space Telescope

    CERN Document Server

    Cominsky, Lynn; Simonnet, Aurore; Education, the Fermi

    2013-01-01

    During the past twelve years, NASA's Fermi Gamma-ray Space Telescope has supported a wide range of Education and Public Outreach (E/PO) activities, targeting K-14 students and the general public. The purpose of the Fermi E/PO program is to increase student and public understanding of the science of the high-energy Universe, through inspiring, engaging and educational activities linked to the mission's science objectives. The E/PO program has additional more general goals, including increasing the diversity of students in the Science, Technology, Engineering and Mathematics (STEM) pipeline, and increasing public awareness and understanding of Fermi science and technology. Fermi's multi-faceted E/PO program includes elements in each major outcome category: Higher Education; Elementary and Secondary Education; Informal Education and Public Outreach.

  8. Twelve tips for developing and delivering a massive open online course in medical education.

    Science.gov (United States)

    Pickering, James D; Henningsohn, Lars; DeRuiter, Marco C; de Jong, Peter G M; Reinders, Marlies E J

    2017-07-01

    Massive open online courses (MOOCs) are a novel mode of online learning. They are typically based on higher education courses and can attract a high number of learners, often in the thousands. They are distinct from on-campus education and deliver the learning objectives through a series of short videos, recommended readings and discussion fora, alongside automated assessments. Within medical education the role of MOOCs remains unclear, with recent proposals including continuing professional development, interprofessional education or integration into campus-based blended learning curricula. In this twelve tips article, we aim to provide a framework for readers to use when developing, delivering and evaluating a MOOC within medical education based on the literature and our own experience. Practical advice is provided on how to design the appropriate curriculum, engage with learners on the platform, select suitable assessments, and comprehensively evaluate the impact of your course.

  9. Hepatoprotective activity of twelve novel 7'-hydroxy lignan glucosides from Arctii Fructus.

    Science.gov (United States)

    Yang, Ya-Nan; Huang, Xiao-Ying; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng

    2014-09-17

    Twelve novel 7'-hydroxy lignan glucosides (1-12), including two benzofuran-type neolignans, two 8-O-4' neolignans, two dibenzylbutyrolactone lignans, and six tetrahydrofuranoid lignans, together with six known lignan glucosides (13-18), were isolated from the fruit of Arctium lappa L. (Asteraceae), commonly known as Arctii Fructus. Their structures were elucidated using spectroscopy (1D and 2D NMR, MS, IR, ORD, and UV) and on the basis of chemical evidence. The absolute configurations of compounds 1-12 were confirmed using rotating frame nuclear overhauser effect spectroscopy (ROESY), the circular dichroic (CD) exciton chirality method, and Rh2(OCOCF3)4-induced CD spectrum analysis. All of the isolated compounds were tested for hepatoprotective effects against D-galactosamine-induced cytotoxicity in HL-7702 hepatic cells. Compounds 1, 2, 7-12, and 17 showed significantly stronger hepatoprotective activity than the positive control bicyclol at a concentration of 1 × 10(-5) M.

  10. Twelve Tips for teaching medical professionalism at all levels of medical education.

    Science.gov (United States)

    Al-Eraky, Mohamed Mostafa

    2015-01-01

    Review of studies published in medical education journals over the last decade reveals that teaching medical professionalism is essential, yet challenging. According to a recent Best Evidence in Medical Education (BEME) guide, there is no consensus on a theoretical or practical model to integrate the teaching of professionalism into medical education. The aim of this article is to outline a practical manual for teaching professionalism at all levels of medical education. Drawing from research literature and author's experience, Twelve Tips are listed and organised in four clusters with relevance to (1) the context, (2) the teachers, (3) the curriculum, and (4) the networking. With a better understanding of the guiding educational principles for teaching medical professionalism, medical educators will be able to teach one of the most challenging constructs in medical education.

  11. Comparative analysis and supragenome modeling of twelve Moraxella catarrhalis clinical isolates

    Directory of Open Access Journals (Sweden)

    Hermans Peter WM

    2011-01-01

    Full Text Available Abstract Background M. catarrhalis is a gram-negative, gamma-proteobacterium and an opportunistic human pathogen associated with otitis media (OM and exacerbations of chronic obstructive pulmonary disease (COPD. With direct and indirect costs for treating these conditions annually exceeding $33 billion in the United States alone, and nearly ubiquitous resistance to beta-lactam antibiotics among M. catarrhalis clinical isolates, a greater understanding of this pathogen's genome and its variability among isolates is needed. Results The genomic sequences of ten geographically and phenotypically diverse clinical isolates of M. catarrhalis were determined and analyzed together with two publicly available genomes. These twelve genomes were subjected to detailed comparative and predictive analyses aimed at characterizing the supragenome and understanding the metabolic and pathogenic potential of this species. A total of 2383 gene clusters were identified, of which 1755 are core with the remaining 628 clusters unevenly distributed among the twelve isolates. These findings are consistent with the distributed genome hypothesis (DGH, which posits that the species genome possesses a far greater number of genes than any single isolate. Multiple and pair-wise whole genome alignments highlight limited chromosomal re-arrangement. Conclusions M. catarrhalis gene content and chromosomal organization data, although supportive of the DGH, show modest overall genic diversity. These findings are in stark contrast with the reported heterogeneity of the species as a whole, as wells as to other bacterial pathogens mediating OM and COPD, providing important insight into M. catarrhalis pathogenesis that will aid in the development of novel therapeutic regimens.

  12. 基于PDA的知识库与数据库集成和通用推理算法%PDA-oriented Integration of Knowledge Base and Database and Public Inference

    Institute of Scientific and Technical Information of China (English)

    欧阳建权; 钱跃良; 李锦涛; 刘任任

    2002-01-01

    This paper studies the correspondence relation between the knowledge and the database to combine the synthetic knowledge representation[1] and the relation database;defines the fields in the database as the feature in the knowledge base such as rule,weight and result for integrating the knowledge base and database.At alst,the paper introduces a public PDA-oriented inference algorism.

  13. 极低出生体重儿hsPDA的血流动力学变化%Hemodynamics of hsPDA in infants with very low birth weight

    Institute of Scientific and Technical Information of China (English)

    何少茹; 刘玉梅; 张程; 孙新; 孙云霞; 赖静妮

    2009-01-01

    @@ 极低出生体重儿在出生后1周内动脉导管未闭(patent ductus arteriosus,PDA)或重新开放的发生率高,形成持续性动脉导管(ductusarteriosus,DA)开放,造成血流动力学改变,持续性DA常常需要内科或手术治疗[1].

  14. Three-way analysis of the UPLC-PDA dataset for the multicomponent quantitation of hydrochlorothiazide and olmesartan medoxomil in tablets by parallel factor analysis and three-way partial least squares.

    Science.gov (United States)

    Dinç, Erdal; Ertekin, Zehra Ceren

    2016-01-01

    An application of parallel factor analysis (PARAFAC) and three-way partial least squares (3W-PLS1) regression models to ultra-performance liquid chromatography-photodiode array detection (UPLC-PDA) data with co-eluted peaks in the same wavelength and time regions was described for the multicomponent quantitation of hydrochlorothiazide (HCT) and olmesartan medoxomil (OLM) in tablets. Three-way dataset of HCT and OLM in their binary mixtures containing telmisartan (IS) as an internal standard was recorded with a UPLC-PDA instrument. Firstly, the PARAFAC algorithm was applied for the decomposition of three-way UPLC-PDA data into the chromatographic, spectral and concentration profiles to quantify the concerned compounds. Secondly, 3W-PLS1 approach was subjected to the decomposition of a tensor consisting of three-way UPLC-PDA data into a set of triads to build 3W-PLS1 regression for the analysis of the same compounds in samples. For the proposed three-way analysis methods in the regression and prediction steps, the applicability and validity of PARAFAC and 3W-PLS1 models were checked by analyzing the synthetic mixture samples, inter-day and intra-day samples, and standard addition samples containing HCT and OLM. Two different three-way analysis methods, PARAFAC and 3W-PLS1, were successfully applied to the quantitative estimation of the solid dosage form containing HCT and OLM. Regression and prediction results provided from three-way analysis were compared with those obtained by traditional UPLC method.

  15. Ligand placement based on prior structures: the guided ligand-replacement method

    Energy Technology Data Exchange (ETDEWEB)

    Klei, Herbert E. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Bristol-Myers Squibb, Princeton, NJ 08543-4000 (United States); Moriarty, Nigel W., E-mail: nwmoriarty@lbl.gov; Echols, Nathaniel [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Terwilliger, Thomas C. [Los Alamos National Laboratory, Los Alamos, NM 87545-0001 (United States); Baldwin, Eric T. [Bristol-Myers Squibb, Princeton, NJ 08543-4000 (United States); Natural Discovery LLC, Princeton, NJ 08542-0096 (United States); Pokross, Matt; Posy, Shana [Bristol-Myers Squibb, Princeton, NJ 08543-4000 (United States); Adams, Paul D. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); University of California at Berkeley, Berkeley, CA 94720-1762 (United States)

    2014-01-01

    A new module, Guided Ligand Replacement (GLR), has been developed in Phenix to increase the ease and success rate of ligand placement when prior protein-ligand complexes are available. The process of iterative structure-based drug design involves the X-ray crystal structure determination of upwards of 100 ligands with the same general scaffold (i.e. chemotype) complexed with very similar, if not identical, protein targets. In conjunction with insights from computational models and assays, this collection of crystal structures is analyzed to improve potency, to achieve better selectivity and to reduce liabilities such as absorption, distribution, metabolism, excretion and toxicology. Current methods for modeling ligands into electron-density maps typically do not utilize information on how similar ligands bound in related structures. Even if the electron density is of sufficient quality and resolution to allow de novo placement, the process can take considerable time as the size, complexity and torsional degrees of freedom of the ligands increase. A new module, Guided Ligand Replacement (GLR), was developed in Phenix to increase the ease and success rate of ligand placement when prior protein–ligand complexes are available. At the heart of GLR is an algorithm based on graph theory that associates atoms in the target ligand with analogous atoms in the reference ligand. Based on this correspondence, a set of coordinates is generated for the target ligand. GLR is especially useful in two situations: (i) modeling a series of large, flexible, complicated or macrocyclic ligands in successive structures and (ii) modeling ligands as part of a refinement pipeline that can automatically select a reference structure. Even in those cases for which no reference structure is available, if there are multiple copies of the bound ligand per asymmetric unit GLR offers an efficient way to complete the model after the first ligand has been placed. In all of these applications, GLR

  16. Microwave extraction and rapid isolation of arjunic acid from Terminalia arjuna (Roxb. ex DC.) stem bark and quantification of arjunic acid and arjunolic acid using HPLC-PDA technique.

    Science.gov (United States)

    Verma, Subash Chandra; Jain, Chhoten Lal; Padhi, Madan Mohan; Devalla, Ramesh Babu

    2012-07-01

    Arjunic acid and arjunolic acid are main bioactive components of Terminalia arjuna stem bark and reported for various biological activities. In this study, microwave-assisted extraction (MAE) of arjunic and arjunolic acid from stem bark of T. arjuna was investigated with developed and validated HPLC-PDA method, which resulted in the isolation of a novel anticancer molecule i.e. arjunic acid. Effects of several experimental parameters, such as type and volume of extraction solvents, microwave power, microwave extraction time, on the extraction efficiencies of arjunic, and arjunolic acid from stem bark of T. arjuna were evaluated. The optimal extraction conditions identified were 5.0 g quantity of stem bark powder, 20 mL of ethyl acetate, preleaching time 10 min, microwave power 600 W, temperature 65°C, and microwave irradiation time 5 min. The results showed that MAE is a more rapid extraction method with higher yield and lower solvent consumptions than reported methods. The HPLC-PDA analysis method was developed and validated to have good linearity, precision, sensitivity, and accuracy. MAE-HPLC-PDA is a faster, convenient, and appropriate method for isolation and determination of arjunic acid and arjunolic acid in the stem bark of T. arjuna.

  17. The Optimization of PDA(Patron-Driven Acquisition) for Books Acquisitioning Work%用户驱动采购对图书采访工作的优化

    Institute of Scientific and Technical Information of China (English)

    郭明蓉

    2015-01-01

    PDA, which is a kind of books purchasing mode centered by reader’s demands, is widely used in the United States and other developed countries, and compared with traditional book acquisitioning mode, it possesses the advantages of meeting reader’s personalized bibliographic demand, changing the traditional books purchase mode, and saving the books-purchasing funds, etc. This paper introduces the concept and procedures of PDA, expounds the current situation of books purchasing in colleges and universities, and analyzes the optimization of PDA for books acquisitioning work.%PDA是一种以读者需求为核心的图书采购模式,在美国等发达国家得到了广泛应用,相对于传统图书采访模式而言,具有满足读者个性化文献需求、转变传统图书采购模式、节约购书经费等优势。介绍了用户驱动采购的概念及其程序,阐述了高校图书采访工作现状,分析了用户驱动采购对图书采访工作的优化。

  18. CB receptor ligands from plants.

    Science.gov (United States)

    Woelkart, Karin; Salo-Ahen, Outi M H; Bauer, Rudolf

    2008-01-01

    Advances in understanding the physiology and pharmacology of the endogenous cannabinoid system have potentiated the interest of cannabinoid receptors as potential therapeutic targets. Cannabinoids have been shown to modulate a variety of immune cell functions and have therapeutic implications on central nervous system (CNS) inflammation, chronic inflammatory conditions such as arthritis, and may be therapeutically useful in treating autoimmune conditions such as multiple sclerosis. Many of these drug effects occur through cannabinoid receptor signalling mechanisms and the modulation of cytokines and other gene products. Further, endocannabinoids have been found to have many physiological and patho-physiological functions, including mood alteration and analgesia, control of energy balance, gut motility, motor and co-ordination activities, as well as alleviation of neurological, psychiatric and eating disorders. Plants offer a wide range of chemical diversity and have been a growing domain in the search for effective cannabinoid ligands. Cannabis sativa L. with the known plant cannabinoid, Delta(9-)tetrahydrocannabinol (THC) and Echinacea species with the cannabinoid (CB) receptor-binding lipophilic alkamides are the best known herbal cannabimimetics. This review focuses on the state of the art in CB ligands from plants, as well their possible therapeutic and immunomodulatory effects.

  19. Ligand photo-isomerization triggers conformational changes in iGluR2 ligand binding domain.

    Directory of Open Access Journals (Sweden)

    Tino Wolter

    Full Text Available Neurological glutamate receptors bind a variety of artificial ligands, both agonistic and antagonistic, in addition to glutamate. Studying their small molecule binding properties increases our understanding of the central nervous system and a variety of associated pathologies. The large, oligomeric multidomain membrane protein contains a large and flexible ligand binding domains which undergoes large conformational changes upon binding different ligands. A recent application of glutamate receptors is their activation or inhibition via photo-switchable ligands, making them key systems in the emerging field of optochemical genetics. In this work, we present a theoretical study on the binding mode and complex stability of a novel photo-switchable ligand, ATA-3, which reversibly binds to glutamate receptors ligand binding domains (LBDs. We propose two possible binding modes for this ligand based on flexible ligand docking calculations and show one of them to be analogues to the binding mode of a similar ligand, 2-BnTetAMPA. In long MD simulations, it was observed that transitions between both binding poses involve breaking and reforming the T686-E402 protein hydrogen bond. Simulating the ligand photo-isomerization process shows that the two possible configurations of the ligand azo-group have markedly different complex stabilities and equilibrium binding modes. A strong but slow protein response is observed after ligand configuration changes. This provides a microscopic foundation for the observed difference in ligand activity upon light-switching.

  20. Measurement of protein-ligand complex formation.

    Science.gov (United States)

    Lowe, Peter N; Vaughan, Cara K; Daviter, Tina

    2013-01-01

    Experimental approaches to detect, measure, and quantify protein-ligand binding, along with their theoretical bases, are described. A range of methods for detection of protein-ligand interactions is summarized. Specific protocols are provided for a nonequilibrium procedure pull-down assay, for an equilibrium direct binding method and its modification into a competition-based measurement and for steady-state measurements based on the effects of ligands on enzyme catalysis.

  1. Identification and determination of major constituents in a traditional Chinese medicine compound recipe Xiongdankaiming tablet using HPLC-PDA/ESI-MSn and HPLC-UV/ELSD

    Institute of Scientific and Technical Information of China (English)

    Shu-fang WANG; Jing LENG; Yi-min XU; Mei-ling FENG

    2013-01-01

    Xiongdankaiming tablet (XDKMT),a well-known compound in traditional Chinese medicine,is widely used for the treatment of acute iridocyclitis and primary open-angle glaucoma.In this paper,accurate and reliable methods were developed for the identification of 20 constituents using high-performance liquid chromatography with photodiode array and electron spray ionization-mass spectrometry (HPLC-PDA/ESI-MSn),and determination of nine of the constituents (chlorogenic acid,gentiopicroside,isochlorogenic acid B,diosmetin-7-O-β-D-glucopyranoside,apigenin,diosmetin,tauroursodeoxycholic acid,acacetin,and taurochenodeoxycholic acid) was developed using HPLC with ultraviolet absorption detector and evaporative light scattering detector (HPLC-UV/ELSD) for the first time.The best results were obtained on a Zorbax SB-C18 column with gradient elution using water (0.1% formic acid) (A) and methanol (0.1% formic acid) (B) at a flow rate of 0.7 ml/min.Tauroursodeoxycholic acid and taurochenodeoxycholic acid,owing to their low UV absorption,were detected by ELSD.The other seven compounds were analyzed by HPLC-UV with variable wavelengths.The calibration curves of all nine constituents showed good linear regression (R2>0.9996)within the linearity ranges.The limits of detection and quantification were in the ranges of 0.0460-9.90 μg/ml and 0.115-24.8 μg/ml,respectively.The accuracy,in terms of recovery,varied from 95.3% to 104.9% with relative standard deviations (RSDs) less than 4.4%.Precision (with the intra-and inter-day variations less than 4.4%) was also suitable for its intended use.The developed method was successfully applied for the analysis of major components in XDKMT,which provides an appropriate method for the quality control of XDKMT.

  2. Application of Response Surface Methodology for Optimisation of Simultaneous UHPLC-PDA Determination of Oleanolic and Ursolic Acids and Standardisation of Ericaceae Medicinal Plants

    Directory of Open Access Journals (Sweden)

    Aleksandra Owczarek

    2016-08-01

    Full Text Available A fast and sensitive ultra-high performance liquid chromatography-photodiode array (UHPLC-PDA method for simultaneous quantification of oleanolic acid (OA and ursolic acid (UA in plant materials was developed. A central composite design combined with a response surface methodology was utilized to establish optimal separation conditions. The final separation was accomplished on a Zorbax Eclipse XDB-C18 column (1.8 μm, 100 mm × 3 mm I.D., Agilent, Santa Clara, CA, USA using a mixture 90:10 (v/v of methanol and 1% (w/v aqueous orthophosporic acid as a mobile phase at a flow rate of 0.44 mL/min and temperature of 18 °C. The analysis was completed in 6.2 min with satisfactory resolution of 1.5 between the target analytes. The developed method proved to be precise (relative standard deviations below 3.2%, accurate (recoveries in the range of 95.27%–98.60%, and sensitive (limits of detection (LODs in the range of 0.047–0.051 mg/mL. The method was then successfully applied to evaluate OA and UA content in real samples of selected Ericaceae plant materials (leaves of Arctostaphylos uva ursi, Vaccinium myrtillus, Vaccinium vitis idaea, Gaultheria procumbens. The content of OA and UA in investigated samples varied in the range of 0.74–4.47 mg/g dry weight (dw and 1.30–18.61 mg/g dw, respectively.

  3. Research of the Supply Chain System Based on PDA%基于PDA的供应链系统的研究

    Institute of Scientific and Technical Information of China (English)

    曲良; 王德权

    2014-01-01

    This paper,according to the actual project in a engineering co., Ltd.,analyses of the overall process of the supply chain system.In order to face the changing market,improve the enterprise's core competitiveness,use the handheld terminals PDA as the tool of data collection and process the data at the scene,implement the purpose of efficient logistics and management of supply chain system,build a model of the modern enterprise logistics system structure based on the supply chain.This paper in detail for the module of Inspection of goods,put-away,take stock, outbound.This system has been run in the engineering co., LTD.,effec-tively improve the management level of the goods.%文章针对某工程有限公司的实际项目,分析了该公司供应链系统的总体流程。为了面对不断变化的市场,提高企业的核心竞争力,利用手持终端PDA作为现场采集数据与处理数据的工具,用来实现高效的物流与供应链系统管理的目的,建立基于供应链的企业现代物流系统的体系结构模型。对物资的开箱检查、入库上架、盘点、出库等模块进行了详细的阐述。该系统已经在某工程有限公司试运行,有效的提高了物资的管理水平。

  4. 大数据分析技术在读者驱动采购(PDA)模式中的应用研究%Study on the Application of the Big Data Analysis Technology in the PDA(Patron Driven Acquisition) Mode

    Institute of Scientific and Technical Information of China (English)

    朱轶婷; 李霖; 尚晓倩

    2015-01-01

    This paper expounds the current status of implementing the PDA mode in domestic and foreign libraries, probes into the advantages of the PDA mode problems needed to be solved, and based on this, puts forward the application methods of the big data analysis technology in the PDA mode for improving the efficiency of the PDA mode.%阐述了国内外图书馆实行PDA模式的现状,探讨了PDA模式的优势和需要解决的问题,在此基础上,提出了大数据分析技术在PDA模式中的应用方式,以提高PDA模式的应用效益。

  5. Twelve-year cyclic surging episode at Donjek Glacier in Yukon, Canada

    Science.gov (United States)

    Furuya, M.; Abe, T.; Sakakibara, D.

    2015-12-01

    Surge-type glaciers exhibit several-fold to orders-of-magnitude speed-up during the short active phase, resulting in km-scale terminus advance. Although there are many surge-type glaciers near the border of Alaska and the Yukon, the generation mechanisms remain uncertain because of limited and few continuous observations. To better understand the surge dynamics and predict the next event, it is essential to examine the entire surge cycles. Here we use Landsat optical imageries to reveal the long-term evolutions, and report three surging episodes at Donjek Glacier in Yukon, Canada. Using the Landsat images, we found three surging events in 1989, 2001, and 2013. In the 2001 event, the surface speed significantly increased by up to 4.5 m/d; during the quiescent phases it was ~0.5 m/d at the terminus. While the duration of active phase is about 4~5 and 2~3 year in the 2001 and 2013 events, the period in the 1989 event is unclear because of the lack of high temporal resolution data. Remarkably, the surging area is limited to the ~20-km section from the terminus instead of the entire glacier. Moreover, we examined the terminus area changes from 1975 to 2014. Although the area has been secularly decreasing probably due to the tread of global warming, it has also revealed four significant fluctuations during the nearly forty years. Comparing the speed and the area changes, the three speed-up events correspond to the terminus area fluctuations with a few time lags. It turns out that the surge event has been quite regularly repeating every twelve years. Although the behavior is rather similar to that in Svalbard glaciers in terms of maximum speed and unclear initiation season, the recurrence interval is much shorter than other nearby surges. Considering that the surge events seem to have initiated around significantly narrower area than upstream, the strong valley constriction may control the regularity as well as the twelve-year recurrence time.

  6. Margalef revisited: A new phytoplankton mandala incorporating twelve dimensions, including nutritional physiology.

    Science.gov (United States)

    Glibert, Patricia M

    2016-05-01

    Building on the classic depiction of the progression from a diatom to a dinoflagellate bloom as a function of nutrients and turbulence, known as the "Margalef mandala", a new conceptual model or mandala is presented here. The new mandala maps twelve response or effects traits, or environmental characteristics, related to different phytoplankton functional types: (1) relative preference for chemically reduced vs chemically oxidized forms of nitrogen; (2) relative availability of inorganic nitrogen and phosphorus; (3) adaptation to high vs low light and the tendency to be autotrophic vs mixotrophic; (4) cell motility; (5) environmental turbulence; (6) pigmentation quality; (7) temperature; (8) cell size; (9) relative growth rate; (10) relative production of bioactive compounds such as toxins or reactive oxygen species (ROS); (11) r vs K strategy; and (12) fate of the production in terms of grazing. The new mandala serves to highlight the differences and trade-offs between traits and/or environmental conditions, and illustrates some traits tend to track each other, a concept that may be helpful in trait-based modeling approaches and in understanding environmental factors associated with harmful algal blooms. It is hoped that this new mandala captures some of our recent insight into phytoplankton physiology and functional traits, and has contemporary relevance in light of anthropogenic changes in nutrient form and ratio. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. Margalef revisited: A new phytoplankton mandala incorporating twelve dimensions, including nutrient ratios and forms

    Science.gov (United States)

    Glibert, P. M.

    2016-02-01

    Building on the classic depiction of the progression from a diatom to a dinoflagellate bloom as a function of nutrients and turbulence, known as the "Margalef mandala", a new conceptual model or mandala is presented here. The new mandala maps twelve traits or environmental characteristics related to different phytoplankton functional types: (1) relative preference for chemically reduced vs chemically oxidized forms of nitrogen; (2) relative availability of inorganic nitrogen and phosphorus; (3) adaptation to high vs low light and the tendency to be autotrophic vs mixotrophic; (4) cell motility; (5) environmental turbulence; (6) pigmentation quality; (7) temperature; (8) cell size; (9) relative growth rate; (10) relative production of bioactive compounds such as toxins or reactive oxygen species (ROS); (11) r vs K strategy; and (12) fate of the production in terms of grazing. The new mandala serves to highlight the differences and trade-offs between traits and/or environmental conditions, and illustrates some traits tend to track each other, a concept that may be helpful in trait-based modeling approaches. It is hoped that this new mandala captures some of our recent insight into phytoplankton physiology and functional traits, and has contemporary relevance in light of anthropogenic changes in nutrient form and ratio.

  8. Evolution and potential function of fibrinogen-like domains across twelve Drosophila species

    Directory of Open Access Journals (Sweden)

    Middha Sumit

    2008-05-01

    Full Text Available Abstract Background The fibrinogen-like (FBG domain consists of approximately 200 amino acid residues, which has high sequence similarity to the C-terminal halves of fibrinogen β and γ chains. Fibrinogen-related proteins (FREPs containing one or more FBG domains are found universally in vertebrates and invertebrates. In invertebrates, FREPs are involved in immune responses and other aspects of physiology. To understand the complexity of this gene family in Drosophila, we analyzed FREPs in twelve Drosophila species. Results Using the genome data from 12 Drosophila species, we identified FBG domains in each species. The results show that the gene numbers in each species vary from 14 genes up to 43 genes. Using sequence profile analysis, we found that FBG domains have high sequence similarity and are highly conserved throughout. By comparison of structure and sequence conservation, some of the FBG domains in Drosophila melanogaster are predicted to function in recognition of carbohydrates and their derivatives on the surface of microorganisms in innate immunity. Conclusion Sequence and structural analyses show that FREP family across 12 Drosophila species contains conserved FBG domains. Expansion of the FREP families in Drosophila is mainly accounted by a major expansion of FBG domains.

  9. Twelve-Year Trends of PM10 and Visibility in the Hefei Metropolitan Area of China

    Directory of Open Access Journals (Sweden)

    Lin Huang

    2016-01-01

    Full Text Available China has been experiencing severe air pollution and previous studies have mostly focused on megacities and a few hot spot regions. Hefei, the provincial capital city of Anhui province, has a population of near 5 million in its metropolitan area, but its air quality has not been reported in literature. In this study, daily PM10 and visibility data in 2001–2012 were analyzed to investigate the air quality status as well as the twelve-year pollution trends in Hefei. The results reveal that Hefei has been suffering high PM10 pollution and low visibility during the study period. The annual average PM10 concentrations are 2~3 times of the Chinese Ambient Air Quality Standard. PM10 shows fluctuating variation in 2001–2007 and has a slightly decreasing trend after 2008. The annual average visibility range is generally lower than 7 km and shows a worsening trend from 2001 to 2006 followed by an improving trend from 2007 to 2012. Wind speed, precipitation, and relative humidity have negative effects on PM10 concentrations in Hefei, while temperature could positively or negatively affect PM10. The results provide a general understanding of the status and long-term trends of PM10 pollution and visibility in a typical second-tier city in China.

  10. Validation of Twelve Small Kepler Transiting Planets in the Habitable Zone

    CERN Document Server

    Torres, Guillermo; Fressin, Francois; Caldwell, Douglas A; Twicken, Joseph D; Ballard, Sarah; Batalha, Natalie M; Bryson, Stephen T; Ciardi, David R; Henze, Christopher E; Howell, Steve B; Isaacson, Howard T; Jenkins, Jon M; Muirhead, Philip S; Newton, Elisabeth R; Petigura, Erik A; Barclay, Thomas; Borucki, William J; Crepp, Justin R; Everett, Mark E; Horch, Elliott P; Howard, Andrew W; Kolbl, Rea; Marcy, Geoffrey W; McCauliff, Sean; Quintana, Elisa V

    2015-01-01

    We present an investigation of twelve candidate transiting planets from Kepler with orbital periods ranging from 34 to 207 days, selected from initial indications that they are small and potentially in the habitable zone (HZ) of their parent stars. The expected Doppler signals are too small to confirm them by demonstrating that their masses are in the planetary regime. Here we verify their planetary nature by validating them statistically using the BLENDER technique, which simulates large numbers of false positives and compares the resulting light curves with the Kepler photometry. This analysis was supplemented with new follow-up observations (high-resolution optical and near-infrared spectroscopy, adaptive optics imaging, and speckle interferometry), as well as an analysis of the flux centroids. For eleven of them (KOI-0571.05, 1422.04, 1422.05, 2529.02, 3255.01, 3284.01, 4005.01, 4087.01, 4622.01, 4742.01, and 4745.01) we show that the likelihood they are true planets is far greater than that of a false po...

  11. Measurement and analysis of angular velocity variations of twelve-cylinder diesel engine crankshaft

    Science.gov (United States)

    Bulatović, Ž. M.; Štavljanin, M. S.; Tomić, M. V.; Knežević, D. M.; Biočanin, S. Lj.

    2011-11-01

    This paper presents the procedures for measuring and analyzing the angular velocity variation of twelve-cylinder diesel engine crankshaft on its free end and on the power-output end. In addition, the paper deals with important aspects of the measurement of crankshaft torsional oscillations. The method is based on digital encoders placed at two distances, and one of them is a sensor not inserted directly on the shaft, i.e. a non-contact method with a toothed disc is used. The principle based on toothed disc is also used to measure the actual camshaft angular velocity of in-line compact high-pressure pump the engine is equipped with, and this paper aims to demonstrate the possibility of measuring the actual angular velocity of any rotating shaft in the engine, on which it is physically possible to mount a toothed disc. The method was created completely independently during long-range development and research tests of V46 family engines. This method is specific for its particular adaptability for use on larger engines with extensive vibrations and torsional oscillations. The main purpose of this paper is a practical contribution to all the more interesting research of the use of engine crankshaft angular velocity as a diagnostic tool for identifying the engine irregular running.

  12. Access to oral health services in children under twelve years of age in Peru, 2014

    Directory of Open Access Journals (Sweden)

    Akram Hernández-Vásquez

    2016-10-01

    Full Text Available The aim of the study was to explore the patterns of dental health services access in children under twelve years of age in Peru. Data from 25,285 children under 12 years who participated in the Demographic and Family Health Survey of 2014 were reviewed. An exploratory spatial analysis was performed to project the proportions of children with access to dental health services, according to national regions, type of health service and urban or rural place of residence. The results show that of the total sample, 26.7% had access to dental health services in the last six months, 39.6% belonged to the age group 0-4 years, 40.6% lived in the Andean region and 58.3% lived in urban areas. The regions of Huancavelica, Apurimac, Ayacucho, Lima and Pasco had the highest percentages of access nationwide. In conclusion, there is low access to dental health services in the population under 12 years of age in Peru. The spatial distribution of access to dental health services allows regions to be identified and grouped according to similar access patterns, in order to better focus public health actions.

  13. Synergy between Seeking Safety and Twelve-Step Affiliation on Substance Use Outcomes for Women

    Science.gov (United States)

    Morgan-Lopez, Antonio A.; Saavedra, Lissette M.; Hien, Denise A.; Campbell, Aimee N.; Wu, Elwin; Ruglass, Lesia

    2014-01-01

    Objective The Recovery Management paradigm provides a conceptual framework for the examination of joint impact of a focal treatment and post-treatment service utilization on substance abuse treatment outcomes. We test this framework by examining the interactive effects of a treatment for comorbid PTSD and substance use, Seeking Safety, and post-treatment Twelve-Step Affiliation (TSA) on alcohol and cocaine use. Method Data from 353 women in a six-site, randomized controlled effectiveness trial within the NIDA Clinical Trials Network were analyzed under latent class pattern mixture modeling. LCPMM was used to model variation in Seeking Safety by TSA interaction effects on alcohol and cocaine use. Results Significant reductions in alcohol use among women in Seeking Safety (compared to Health Education) were observed; women in the Seeking Safety condition who followed up with TSA had the greatest reductions over time in alcohol use. Reductions in cocaine use over time were also observed but did not differ between treatment conditions nor were there interactions with post-treatment TSA. Conclusions Findings advance understanding of the complexities for treatment and continuing recovery processes for women with PTSD and SUDs, and further support the chronic disease model of addiction. PMID:23558158

  14. Coréia aguda na gravidez Acute chorea in pregnancy: comments on twelve consecutive cases

    Directory of Open Access Journals (Sweden)

    Walter C. Pereira

    1967-12-01

    Full Text Available São apresentados doze casos de coréia aguda observados entre 150.000 gestantes (1/12.500. A maioria dos surtos ocorreu no segundo trimestre da primeira gravidez. A duração média dos sintomas foi de três meses, não tendo sido registrado caso algum de óbito materno. Todos os partos foram espontâneos e normais. Houve apenas um óbito fetal conseqüente a choque hemorrágico. São tecidas considerações a propósito dos aspectos clínico, laboratorial e prognóstico da coréia gravídica, sendo focalizado mais pormenorizadamente o problema fisiopatogênico dessa afecção.Twelve consecutive cases of acute chorea occurring among 150.000 pregnant women (1/12.500 are reported. Most of the cases occurred from the fourth do the sixth month of the first pregnancy. The average duration of the symptoms was of three months and no one case of maternal death was verified in the group. The deliveries were spontaneous and normal in all the patients. Only one case of fetal death occurred in consequence of a hemorragic shock. Comments are made on the clinical, laboratorial and prognostic features of chorea gravidarum, being particulary focused the physiopathogenic problem of this condtion.

  15. TRANSIT TIMING OBSERVATIONS FROM KEPLER. VIII. CATALOG OF TRANSIT TIMING MEASUREMENTS OF THE FIRST TWELVE QUARTERS

    Energy Technology Data Exchange (ETDEWEB)

    Mazeh, Tsevi; Nachmani, Gil; Holczer, Tomer; Sokol, Gil [School of Physics and Astronomy, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978 (Israel); Fabrycky, Daniel C. [Department of Astronomy and Astrophysics, University of Chicago, 5640 Ellis Ave., Chicago, IL 60637 (United States); Ford, Eric B.; Ragozzine, Darin [Astronomy Department, University of Florida, Gainesville, FL 32111 (United States); Sanchis-Ojeda, Roberto [Department of Physics and Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Rowe, Jason F.; Lissauer, Jack J. [NASA Ames Research Center, Moffett Field, CA 94035 (United States); Zucker, Shay [Department of Geophysical, Atmospheric and Planetary Sciences, Raymond and Beverly Sackler Faculty of Exact Sciences Tel Aviv University, 69978 Tel Aviv (Israel); Agol, Eric [Department of Astronomy, Box 351580, University of Washington, Seattle, WA 98195 (United States); Carter, Joshua A. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Quintana, Elisa V. [SETI Institute, 189 Bernardo Ave, Suite 100, Mountain View, CA 94043 (United States); Steffen, Jason H. [Fermilab Center for Particle Astrophysics, P.O. Box 500, MS 127, Batavia, IL 60510 (United States); Welsh, William [Astronomy Department, San Diego State University, 5500 Campanile Drive, San Diego, CA 92182 (United States)

    2013-10-01

    Following the works of Ford et al. and Steffen et al. we derived the transit timing of 1960 Kepler objects of interest (KOIs) using the pre-search data conditioning light curves of the first twelve quarters of the Kepler data. For 721 KOIs with large enough signal-to-noise ratios, we obtained also the duration and depth of each transit. The results are presented as a catalog for the community to use. We derived a few statistics of our results that could be used to indicate significant variations. Including systems found by previous works, we have found 130 KOIs that showed highly significant times of transit variations (TTVs) and 13 that had short-period TTV modulations with small amplitudes. We consider two effects that could cause apparent periodic TTV—the finite sampling of the observations and the interference with the stellar activity, stellar spots in particular. We briefly discuss some statistical aspects of our detected TTVs. We show that the TTV period is correlated with the orbital period of the planet and with the TTV amplitude.

  16. Peer teaching in medical education: twelve reasons to move from theory to practice.

    Science.gov (United States)

    Ten Cate, Olle; Durning, Steven

    2007-09-01

    To provide an estimation of how often peer teaching is applied in medical education, based on reports in the literature and to summarize reasons that support the use of this form of teaching. We surveyed the 2006 medical education literature and categorised reports of peer teaching according to educational distance between students teaching and students taught, group size, and level of formality of the teaching. Subsequently, we analysed the rationales for applying peer teaching. Most reports were published abstracts in either Medical Education's annual feature 'Really Good Stuff' or the AMEE's annual conference proceedings. We identified twelve distinct reasons to apply peer teaching, including 'alleviating faculty teaching burden', 'providing role models for junior students', 'enhancing intrinsic motivation' and 'preparing physicians for their future role as educators'. Peer teaching appears to be practiced often, but many peer teaching reports do not become full length journal articles. We conclude that specifically 'near-peer teaching' appears beneficial for student teachers and learners as well as for the organisation. The analogy of the 'journeyman', as intermediate between 'apprentice' and 'master', with both learning and teaching tasks, is a valuable but yet under-recognized source of education in the medical education continuum.

  17. Heterochromatic banding patterns on chromosomes of twelve weevil species (Insecta, Coleoptera, Curculionoidea: Apionidae, Curculionidae).

    Science.gov (United States)

    Holecová, Milada; Rozek, Maria; Lachowska, Dorota

    2002-01-01

    The C-banding patterns of twelve weevil species are presented. The obtained results confirm the existence of two groups of species: with a small or large amount of heterochromatin in the karyotype. The first group comprises seven species (Apionidae: Holotrichapion pisi; Curculionidae: Phyllobius urticae, Ph. pyri, Ph. maculicornis, Tanymecus palliatus, Larinodontes turbinatus, Cionus tuberculosus). In weevils with a small amount of heterochromatin, tiny grains on the nucleus in interphase are visible, afterwards in mitotic and meiotic prophase appearing as dark dots. The absence of C-bands does not indicate a lack of heterochromatin but heterochromatic regions are sometimes so small that the condensation is not visible during the cell cycle. The second group comprises five species (Otiorhynchus niger, O. morio, Polydrusus corruscus, Barypeithes chevrolati, Nedyus quadrimaculatus) which possess much larger heteropicnotic parts of chromosomes visible during all nuclear divisions. The species examined have paracentromeric C-bands on autosomes and the sex chromosome X, except for Otiorhynchus niger, which also has an intercalary bands on one pair of autososomes. All the species examined differ in the size of segments of constitutive heterochromatin. The y heterochromosome is dot-like and wholly euchromatic in all the studied species.

  18. In vitro antibacterial and antifungal activities of twelve sponges collected from the Anambas Islands, Indonesia

    Directory of Open Access Journals (Sweden)

    Masteria Yunovilsa Putra

    2016-09-01

    Full Text Available Objective: To evaluate antimicrobial activities in methanolic extracts of twelve sponges collected from the Anambas Islands, Indonesia. Methods: The antibacterial activity of methanolic extracts was tested against two Grampositive bacteria, viz. Bacillus subtilis (ATCC 6633 and Staphylococcus aureus (ATCC 25923, and two Gram-negative bacteria, viz. Eschericia coli (ATCC 25922 and Vibrio anguillarum (ATCC 19264 using the disk diffusion assay. The antifungal activity was similarly tested against Candida albicans (ATCC 10231 and Aspergillus niger (ATCC 16404. The minimum inhibitory concentrations of promising sponges extracts were determined by the microdilution technique. Results: All the sponge species in this study showed antimicrobial activities against at least one of the test strains. Antibacterial activities were observed in 66.7% of the sponges extracts, while 30.0% of the extracts exhibited antifungal activities. Among them, the extracts of the sponges Stylissa massa and Axinyssa sp. were the most active against four tested bacteria and the yeast Candida albicans. The sponge Theonella swinhoei and two species of Xestospongia also displayed significant activities against two fungal pathogens Candida albicans and Aspergillus niger. Conclusions: Antimicrobial activities were demonstrated in extracts from various marine sponges collected from the Anambas Islands, Indonesia. The most promising sponges among them were Stylissa massa and Axinyssa sp. This is the first report of antimicrobial activity in extracts of marine sponges from the Indonesian Anambas Islands.

  19. The SLUGGS Survey: Kinematics for over 2500 Globular Clusters in Twelve Early-type Galaxies

    CERN Document Server

    Pota, Vincenzo; Romanowsky, Aaron J; Brodie, Jean P; Spitler, Lee R; Strader, Jay; Foster, Caroline; Arnold, Jacob A; Benson, Andrew; Blom, Christina; Hargis, Jonathan R; Rhode, Katherine L; Usher, Christopher

    2012-01-01

    We present a spectro-photometric survey of 2522 extragalactic globular clusters (GCs) around twelve early-type galaxies, nine of which have not been published previously. Combining space-based and multi-colour wide field ground-based imaging, with spectra from the Keck DEIMOS instrument, we obtain an average of 160 GC radial velocities per galaxy, with a high velocity precision of 15 km/s per GC. After studying the photometric properties of the GC systems, such as their spatial and colour distributions, we focus on the kinematics of metal-poor (blue) and metal-rich (red) GC subpopulations to an average distance of ~8 effective radii from the galaxy centre. Our results show that for some systems the bimodality in GC colour is also present in GC kinematics. The kinematics of the red GC subpopulations are strongly coupled with the host galaxy stellar kinematics. The blue GC subpopulations are more dominated by random motions, especially in the outer regions, and decoupled from the red GCs. Peculiar GC kinematic ...

  20. Whole-Proteome Analysis of Twelve Species of Alphaproteobacteria Links Four Pathogens

    Directory of Open Access Journals (Sweden)

    Yunyun Zhou

    2013-11-01

    Full Text Available Thousands of whole-genome and whole-proteome sequences have been made available through advances in sequencing technology, and sequences of millions more organisms will become available in the coming years. This wealth of genetic information will provide numerous opportunities to enhance our understanding of these organisms including a greater understanding of relationships among species. Researchers have used 16S rRNA and other gene sequences to study the evolutionary origins of bacteria, but these strategies do not provide insight into the sharing of genes among bacteria via horizontal transfer. In this work we use an open source software program called pClust to cluster proteins from the complete proteomes of twelve species of Alphaproteobacteria and generate a dendrogram from the resulting orthologous protein clusters. We compare the results with dendrograms constructed using the 16S rRNA gene and multiple sequence alignment of seven housekeeping genes. Analysis of the whole proteomes of these pathogens grouped Rickettsia typhi with three other animal pathogens whereas conventional sequence analysis failed to group these pathogens together. We conclude that whole-proteome analysis can give insight into relationships among species beyond their phylogeny, perhaps reflecting the effects of horizontal gene transfer and potentially providing insight into the functions of shared genes by means of shared phenotypes.

  1. INCIDENCE AND SURVIVAL OF LIPOLYTIC ORGANISMS MONITORED FOR TWELVE MONTHS IN DOMESTIC WASTEWATER AND RECEIVING STREAM

    Directory of Open Access Journals (Sweden)

    Adebowale Odeyemi

    2013-10-01

    Full Text Available The incidence and survival of lipolytic organisms in domestic wastewater and receiving stream were monitored over 12 months. The average total bacterial count in the wastewater samples reduced in April and November by 24.2% and 41.6% respectively. There was also a reduction of 42.3% and 60.1% in the load in the receiving stream in August and July. Subsequently, at 5m downstream from the entry of the wastewater the microbial load reduced in March (19.2% and June (19.2%. However, the occurrence of coliforms was more affected in the months of May (53% to July (87.2%. At 5m and 10m downstream the coliform population reduced by 27.9% and 30.1% respectively. Of the twelve (12 bacterial isolates obtained at the exit of the wastewater into the receiving stream, only four (4 were found to possess lipolytic activity. These include the species of Enterococcus, Klebsiella, Pseudomonas and Staphylococcus. There was no significant difference in the amount of nutrients found in the domestic wastewater and receiving stream during the months. This paper also discusses the implication of disposing large amounts of wastewater effluents into the receiving water and the need to remedy and minimize the overall impact of such pollution on the environment.

  2. Interaction and cooperative effort among scientific societies. Twelve years of COSCE.

    Science.gov (United States)

    Martín, Nazario; Andradas, Carlos

    2015-12-01

    The evolution of knowledge and technology in recent decades has brought profound changes in science policy, not only in the countries but also in the supranational organizations. It has been necessary, therefore, to adapt the scientific institutions to new models in order to achieve a greater and better communication between them and the political counterparts responsible for defining the general framework of relations between science and society. The Federationon of Scientific Societies of Spain (COSCE, Confederación de Sociedades Científicas de España) was founded in October 2003 to respond to the urgent need to interact with the political institutions and foster a better orientation in the process of making decisions about the science policy. Currently COSCE consists of over 70 Spanish scientific societies and more than 40,000 scientists. During its twelve years of active life, COSCE has developed an intense work of awareness of the real situation of science in Spain by launching several initiatives (some of which have joined other organizations) or by joining initiatives proposed from other groups related to science both at the Spanish level and at the European and non-European scenarios. [Int Microbiol 18(4): 245-251 (2015)].

  3. Ecological conversion efficiency and its influencers in twelve species of fish in the Yellow Sea Ecosystem

    Science.gov (United States)

    Tang, Qisheng; Guo, Xuewu; Sun, Yao; Zhang, Bo

    2007-09-01

    The ecological conversion efficiencies in twelve species of fish in the Yellow Sea Ecosystem, i.e., anchovy ( Engraulis japonicus), rednose anchovy ( Thrissa kammalensis), chub mackerel ( Scomber japonicus), halfbeak ( Hyporhamphus sajori), gizzard shad ( Konosirus punctatus), sand lance ( Ammodytes personatus), red seabream ( Pagrus major), black porgy ( Acanthopagrus schlegeli), black rockfish ( Sebastes schlegeli), finespot goby ( Chaeturichthys stigmatias), tiger puffer ( Takifugu rubripes), and fat greenling ( Hexagrammos otakii), were estimated through experiments conducted either in situ or in a laboratory. The ecological conversion efficiencies were significantly different among these species. As indicated, the food conversion efficiencies and the energy conversion efficiencies varied from 12.9% to 42.1% and from 12.7% to 43.0%, respectively. Water temperature and ration level are the main factors influencing the ecological conversion efficiencies of marine fish. The higher conversion efficiency of a given species in a natural ecosystem is acquired only under the moderate environment conditions. A negative relationship between ecological conversion efficiency and trophic level among ten species was observed. Such a relationship indicates that the ecological efficiency in the upper trophic levels would increase after fishing down marine food web in the Yellow Sea ecosystem.

  4. Differences in antimicrobial activity of chlorine against twelve most prevalent poultry-associated Salmonella serotypes.

    Science.gov (United States)

    Paul, Narayan C; Sullivan, Tarah S; Shah, Devendra H

    2017-06-01

    Chlorine is the most widely used carcass sanitizer in poultry processing in the USA. The objective of this study was to determine the effects of varying concentrations of organic matter on the susceptibility of twelve most prevalent poultry-associated Salmonella serotypes (MPPSTs) to chlorine. To mimic the microenvironment of the water used for immersion chilling, we manipulated organic matter contamination levels in pre-chilled (pH∼6, T∼4 °C) chlorinated (50 ppm) water using varying concentrations (0, 1, 2, 3, 4, and 5%) of chicken-meat-extract (CME) produced from frozen chicken carcasses. This CME-based in vitro model was challenged with ∼1 × 10(5) CFUs of each MPPST isolate and the bacterial survival was tested at 5, 30, 60 and 90 min post-challenge. In this model, the decimal reduction time (D90-values) of each MPPST was linearly correlated with the concentration of CME. Significant inter-serotype differences in the D90-values were observed. The results show that the pH, concentration of total- and free-chlorine were also linearly correlated with the presence of CME in a concentration-dependent manner. The findings of this study indicate that the serotype and the levels of organic matter contamination significantly influence Salmonella survival and that both variables should be included in models that predict effectiveness of chlorine treatment in immersion chilling.

  5. Alcoholics Anonymous and twelve-step recovery: a model based on social and cognitive neuroscience.

    Science.gov (United States)

    Galanter, Marc

    2014-01-01

    In the course of achieving abstinence from alcohol, longstanding members of Alcoholics Anonymous (AA) typically experience a change in their addiction-related attitudes and behaviors. These changes are reflective of physiologically grounded mechanisms which can be investigated within the disciplines of social and cognitive neuroscience. This article is designed to examine recent findings associated with these disciplines that may shed light on the mechanisms underlying this change. Literature review and hypothesis development. Pertinent aspects of the neural impact of drugs of abuse are summarized. After this, research regarding specific brain sites, elucidated primarily by imaging techniques, is reviewed relative to the following: Mirroring and mentalizing are described in relation to experimentally modeled studies on empathy and mutuality, which may parallel the experiences of social interaction and influence on AA members. Integration and retrieval of memories acquired in a setting like AA are described, and are related to studies on storytelling, models of self-schema development, and value formation. A model for ascription to a Higher Power is presented. The phenomena associated with AA reflect greater complexity than the empirical studies on which this article is based, and certainly require further elucidation. Despite this substantial limitation in currently available findings, there is heuristic value in considering the relationship between the brain-based and clinical phenomena described here. There are opportunities for the study of neuroscientific correlates of Twelve-Step-based recovery, and these can potentially enhance our understanding of related clinical phenomena. © American Academy of Addiction Psychiatry.

  6. Deathly silence and apocalyptic noise: Observations on the soundscape of the Book of the Twelve

    Directory of Open Access Journals (Sweden)

    Aaron Schart

    2010-03-01

    Full Text Available This paper proposes a reading of the Book of the Twelve (used interchangeably with �Twelve� and �Book� for convenience that concentrates on the sound that is included in the description of the world of the text. Three onomatopoeic devices are singled out. First, the mourning cry h�y is considered. This interjection is used differently in several of the writings: in Amos (5:18; 6:1 the prophet cries out in compassion with the addressees. By contrast, in Nahum 3:1 and Habakkuk 2:6�19, h�y is uttered in a mood of mockery. In Zechariah 2:10 a third, joyful h�y is used. It appears that the different usages cohere nicely with the overall structure of the Book of the Twelve. Secondly, the interjection has likewise shows different usages. In Amos 6:10 and 8:3, it simulates the last breath of Israelites dying when the land is devastated. By contrast, in Habakkuk 2:20, Zephaniah 1:7 and Zechariah 2:17, the addressees are directed to be silent before YHWH. This command should be perceived as an act of reverence. Again, the sequence of the occurrences coheres with the overall structure of the Book of the Twelve. Of special relevance is that the last three instances build a frame around the Babylonian exile, which lies between Zephaniah and Haggai. The third example is the phrase ham�n�m, ham�n�m in Joel 4:14. The author employs an irregular double plural to construe this place as the loudest spot (�apocalyptic noise� within the Twelve.Setu sa go tiba le modumo wa aphokhaliptiki: Ditemogo ka medumo ya Puku ya ba LesomepediPampiri ye e �i�inya go balwa ga Puku ya ba Lesomepedi (yeo e ka nogo bit�wa �Lesomepedi� goba �Puku� go bebofat�a ditaba ka go gatelela modumo wo o lego ka gare ga tlhaloso ya lefase la go tswala dingwalo t�e. Ditsela t�e tharo t�a onomathopoiki di bewa pepeneng. La mathomo, go �et�wa sello sa mahloko sa h?y. Lelahlelwa le le �omi�wa ka go fapana mo dingwalong t�e mmalwa: go Amosi

  7. Fate of the conformal fixed point with twelve massless fermions and SU(3) gauge group

    Science.gov (United States)

    Fodor, Zoltan; Holland, Kieran; Kuti, Julius; Mondal, Santanu; Nogradi, Daniel; Wong, Chik Him

    2016-11-01

    We report new results on the conformal properties of an important strongly coupled gauge theory, a building block of composite Higgs models beyond the Standard Model. With twelve massless fermions in the fundamental representation of the SU(3) color gauge group, an infrared fixed point (IRFP) of the β -function was recently reported in the theory [A. Cheng, A. Hasenfratz, Y. Liu, G. Petropoulos, and D. Schaich, J. High Energy Phys. 05 (2014) 137] with uncertainty in the location of the critical gauge coupling inside the narrow [6.0 fixed point and scale invariance in the theory with model-building implications. Using the exact same renormalization scheme as the previous study, we show that no fixed point of the β -function exists in the reported interval. Our findings eliminate the only seemingly credible evidence for conformal fixed point and scale invariance in the Nf=12 model whose infrared properties remain unresolved. The implications of the recently completed 5-loop QCD β -function for arbitrary flavor number are discussed with respect to our work.

  8. Twelve tips for creating trigger images for problem-based learning cases.

    Science.gov (United States)

    Azer, Samy A

    2007-03-01

    A trigger is the starting point of problem-based learning (PBL) cases. It is usually in the form of 5-6 text lines that provide the key information about the main character (usually the patient), including 3-4 of patient's presenting problems. In addition to the trigger text, most programs using PBL include a visual trigger. This might be in the form of a single image, a series of images, a video clip, a cartoon, or even one of the patient's investigation results (e.g. chest X-ray, pathology report, or urine sample analysis). The main educational objectives of the trigger image are as follows: (1) to introduce the patient to the students; (2) to enhance students' observation skills; (3) to provide them with new information to add to the cues obtained from the trigger text; and (4) to stimulate students to ask questions as they develop their enquiry plan. When planned and delivered effectively, trigger images should be engaging and stimulate group discussion. Understanding the educational objectives of using trigger images and choosing appropriate images are the keys for constructing successful PBL cases. These twelve tips highlight the key steps in the successful creation of trigger images.

  9. 简约型PDA

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    iKon圆滑、紧凑和强大的设计满足了用户使用要求,高端的人性化设计带来优化的易用性。人性化的键区设计可供一只手操作键盘,另一只手进行任务更改。iKon具有强劲的内置式功能,将彩色照相机兼备于集成的图像仪和扫描仪中。

  10. Cofactor-Controlled Chirality of Tropoisomeric Ligand

    NARCIS (Netherlands)

    Théveau, L.; Bellini, R.; Dydio, P.; Szabo, Z.; van der Werf, A.; Sander, R.A.; Reek, J.N.H.; Moberg, C.

    2016-01-01

    A new tropos ligand with an integrated anion receptor receptor site has been prepared. Chiral carboxylate and phosphate anions that bind in the anion receptor unit proved capable of stabilizing chiral conformations of the achiral flexible bidentate biaryl phosphite ligand, as shown by variable

  11. Flexible Ligand Docking Using Evolutionary Algorithms

    DEFF Research Database (Denmark)

    Thomsen, Rene

    2003-01-01

    The docking of ligands to proteins can be formulated as a computational problem where the task is to find the most favorable energetic conformation among the large space of possible protein–ligand complexes. Stochastic search methods such as evolutionary algorithms (EAs) can be used to sample large...

  12. Flexible Ligand Docking Using Differential Evolution

    DEFF Research Database (Denmark)

    Thomsen, René

    2003-01-01

    the most favorable energetic conformation among the large space of possible protein-ligand complexes. Stochastic search methods, such as evolutionary algorithms (EAs), can be used to sample large search spaces effectively and is one of the preferred methods for flexible ligand docking. The differential...

  13. Rhodium olefin complexes of diiminate type ligands

    NARCIS (Netherlands)

    Willems, Sander Theodorus Hermanus

    2003-01-01

    The mono-anionic beta-diiminate ligand (ArNC(CH3)CHC(CH3)NAr) on several previous occasions proved useful in stabilising low coordination numbers for both early and late transition metals. In this thesis the reactivity of the rhodium olefin complexes of one of these beta-diiminate ligands (Ar = 2,6-

  14. Ligand sphere conversions in terminal carbide complexes

    DEFF Research Database (Denmark)

    Morsing, Thorbjørn Juul; Reinholdt, Anders; Sauer, Stephan P. A.

    2016-01-01

    Metathesis is introduced as a preparative route to terminal carbide complexes. The chloride ligands of the terminal carbide complex [RuC(Cl)2(PCy3)2] (RuC) can be exchanged, paving the way for a systematic variation of the ligand sphere. A series of substituted complexes, including the first exam...

  15. Improving Comparability Of Survey Results Through Ex-Post Harmonisation A Case Study With Twelve European National Travel Surveys

    DEFF Research Database (Denmark)

    Christensen, Linda; Hubert, Jean-Paul; Järvi, Tuuli

    that reflect behavioural differences rather than methodological ones, in the context of the COST Action SHANTI (Survey Harmonisation with New Technologies Improvement, TUD0804) an ex-post harmonisation approach was developed using microdata from twelve European NTS’s. The paper presents both concept and basic...

  16. Asymmetric catalysis based on tropos ligands.

    Science.gov (United States)

    Aikawa, Kohsuke; Mikami, Koichi

    2012-11-21

    All enantiopure atropisomeric (atropos) ligands essentially require enantiomeric resolution or synthetic transformation from a chiral pool. In sharp contrast, the use of tropos (chirally flexible) ligands, which are highly modular, versatile, and easy to synthesize without enantiomeric resolution, has recently been the topic of much interest in asymmetric catalysis. Racemic catalysts bearing tropos ligands can be applied to asymmetric catalysis through enantiomeric discrimination by the addition of a chiral source, which preferentially transforms one catalyst enantiomer into a highly activated catalyst enantiomer. Additionally, racemic catalysts bearing tropos ligands can also be utilized as atropos enantiopure catalysts obtained via the control of chirality by a chiral source followed by the memory of chirality. In this feature article, our results on the asymmetric catalysis via the combination of various central metals and tropos ligands are summarized.

  17. Ligand binding mechanics of maltose binding protein.

    Science.gov (United States)

    Bertz, Morten; Rief, Matthias

    2009-11-13

    In the past decade, single-molecule force spectroscopy has provided new insights into the key interactions stabilizing folded proteins. A few recent studies probing the effects of ligand binding on mechanical protein stability have come to quite different conclusions. While some proteins seem to be stabilized considerably by a bound ligand, others appear to be unaffected. Since force acts as a vector in space, it is conceivable that mechanical stabilization by ligand binding is dependent on the direction of force application. In this study, we vary the direction of the force to investigate the effect of ligand binding on the stability of maltose binding protein (MBP). MBP consists of two lobes connected by a hinge region that move from an open to a closed conformation when the ligand maltose binds. Previous mechanical experiments, where load was applied to the N and C termini, have demonstrated that MBP is built up of four building blocks (unfoldons) that sequentially detach from the folded structure. In this study, we design the pulling direction so that force application moves the two MBP lobes apart along the hinge axis. Mechanical unfolding in this geometry proceeds via an intermediate state whose boundaries coincide with previously reported MBP unfoldons. We find that in contrast to N-C-terminal pulling experiments, the mechanical stability of MBP is increased by ligand binding when load is applied to the two lobes and force breaks the protein-ligand interactions directly. Contour length measurements indicate that MBP is forced into an open conformation before unfolding even if ligand is bound. Using mutagenesis experiments, we demonstrate that the mechanical stabilization effect is due to only a few key interactions of the protein with its ligand. This work illustrates how varying the direction of the applied force allows revealing important details about the ligand binding mechanics of a large protein.

  18. Twelve Years of Education and Public Outreach with the Fermi Gamma-ray Space Telescope

    Science.gov (United States)

    Cominsky, Lynn R.; McLin, K. M.; Simonnet, A.; Fermi E/PO Team

    2013-04-01

    During the past twelve years, NASA's Fermi Gamma-ray Space Telescope has supported a wide range of Education and Public Outreach (E/PO) activities, targeting K-14 students and the general public. The purpose of the Fermi E/PO program is to increase student and public understanding of the science of the high-energy Universe, through inspiring, engaging and educational activities linked to the mission’s science objectives. The E/PO program has additional more general goals, including increasing the diversity of students in the Science, Technology, Engineering and Mathematics (STEM) pipeline, and increasing public awareness and understanding of Fermi science and technology. Fermi's multi-faceted E/PO program includes elements in each major outcome category: ● Higher Education: Fermi E/PO promotes STEM careers through the use of NASA data including research experiences for students and teachers (Global Telescope Network), education through STEM curriculum development projects (Cosmology curriculum) and through enrichment activities (Large Area Telescope simulator). ● Elementary and Secondary education: Fermi E/PO links the science objectives of the Fermi mission to well-tested, customer-focused and NASA-approved standards-aligned classroom materials (Black Hole Resources, Active Galaxy Education Unit and Pop-up book, TOPS guides, Supernova Education Unit). These materials have been distributed through (Educator Ambassador and on-line) teacher training workshops and through programs involving under-represented students (after-school clubs and Astro 4 Girls). ● Informal education and public outreach: Fermi E/PO engages the public in sharing the experience of exploration and discovery through high-leverage multi-media experiences (Black Holes planetarium and PBS NOVA shows), through popular websites (Gamma-ray Burst Skymap, Epo's Chronicles), social media (Facebook, MySpace), interactive web-based activities (Space Mysteries, Einstein@Home) and activities by

  19. Relative peripheral refraction in children: twelve-month changes in eyes with different ametropias.

    Science.gov (United States)

    Lee, Tsui-Tsui; Cho, Pauline

    2013-05-01

    To determine the peripheral refraction of children with different types of ametropias and to evaluate the relationship between central refractive changes, baseline relative peripheral refraction (RPR) and changes in RPR over a 12-month monitoring period. Cycloplegic central and peripheral refraction were performed biannually on the right eyes of children aged 6-9 for 12 months, using an open-view autorefractor. Peripheral refraction were measured along 10°, 20° and 30° from central fixation in both nasal and temporal fields. Refractive data were transposed into M, J0 and J45 vectors for analyses. RPR was determined by subtracting the central measurement from each peripheral measurement. Hyperopic eyes showed relative peripheral myopia while myopic eyes had relative hyperopia across the central 60° horizontal field at baseline. Emmetropic eyes had relative myopia within but showed relative hyperopia beyond the central 30° field. However, there was no significant correlation between central refractive changes and baseline RPR or between changes in central refraction and RPR over twelve months in any refractive groups. Correlations between changes in PR and central myopic shift were found mainly in the nasal field in different groups. In the subgroup analysis on the initially emmetropic and the initially myopic groups, the subgroups with faster myopic progression did not have significantly different RPR from the subgroups with slower progression. The RPR pattern of the initially emmetropic and the initially myopic groups became more asymmetric at the end of the study period with a larger increase in relative hyperopia in the temporal field. RPR patterns were different among hyperopic, emmetropic and myopic eyes. However, baseline RPR and changes in RPR cannot predict changes in central refraction over time. Our results did not provide evidence to support the hypothesis of RPR as a causative factor for myopic central refractive changes in children. Ophthalmic

  20. Computational study of the structural and vibrational properties of ten and twelve vertex closo-carboranes

    Energy Technology Data Exchange (ETDEWEB)

    Salam, A.; Deleuze, M.S.; Francois, J.-P

    2003-01-01

    Calculations using ab initio Hartree-Fock and Density Functional theories, the latter employing the B3LYP functional, in combination with a number of large standard basis sets ranging from 6-31G** to cc-pVDZ, have been performed on a series of ten and twelve vertex closo-carborane isomer species. Results obtained for optimized structural parameters and molecular properties are presented for 1,2-, 1,6- and 1,10-C{sub 2}B{sub 8}H{sub 10} and 1,2-, 1,7- and 1,12-C{sub 2}B{sub 10}H{sub 12} and compared, where possible, with both earlier theoretical data and experiment. Irrespective of the model chemistry chosen, the para-isomer in each class of carborane cluster is found to be the most stable species, corresponding to a structure in which the cage carbon atoms are positioned at diametrically opposed ends of the respective polyhedron. Boron-hydrogen and carbon-hydrogen bond lengths are found to change little on going from isomers of one particular cage size to another, supporting analogous conclusions previously established for small closo-carborane cages possessing five, six and seven vertices. The calculated vibrational spectra of the isomers of both decacarborane and dodecacarborane are seen to be similar to each other and reflect a high degree of rigidity within each cluster. Key polyhedral skeletal breathing modes along with characteristic boron-hydrogen and carbon-hydrogen stretching frequencies are identified in the spectra and compared with experiment. Thermochemical data relating to each species are also analyzed.

  1. Indifference to pain syndrome in a twelve-year-old boy (case report

    Directory of Open Access Journals (Sweden)

    Baghdadi T

    2007-08-01

    Full Text Available Background: People vary greatly in their response to painful stimuli, from those with a low pain threshold to those with indifference to pain. However, insensitivity to pain is a rare disorder, characterized by the lack of usual subjective and objective responses to noxious stimuli. Patients who have congenital indifference to pain sustain painless injuries beginning in infancy, but have sensory responses that are otherwise normal on examination. Perception of passive movement, joint position, and vibration is normal in these patients, as are tactile thresholds and light touch perception. Case report: A twelve-year-old boy was admitted to the hospital for a painless deformity, degeneration in both knees and a neglected femoral neck fracture that was inappropriately painless. Further examination revealed normal sensory responses, perception of passive movement, joint position, vibration tactile thresholds and light touch perception. Spinal cord and brain MRI were normal as was the electromyography and nerve conduction velocity (EMG/NCV examination. There was no positive family history for this disorder. Conclusion: The deficits present in the different pain insensitivity syndromes provide insight into the complex anatomical and physiological nature of pain perception. Reports on pain asymbolia, in which pain is perceived but does not cause suffering, and related cortical conditions illustrate that there can be losses that independently involve either the sensory-discriminative component or the affective-motivational component of pain perception, thus highlighting their different anatomical localization. The paucity of experience with this entity and the resultant diagnostic problems, the severity of the associated disabling arthropathy and underscore the importance of this case report of indifference to pain.

  2. Removal of trace level amounts of twelve sulfonamides from drinking water by UV-activated peroxymonosulfate.

    Science.gov (United States)

    Cui, Changzheng; Jin, Lei; Jiang, Lei; Han, Qi; Lin, Kuangfei; Lu, Shuguang; Zhang, Dong; Cao, Guomin

    2016-12-01

    Trace levels of residual antibiotics in drinking water may threaten public health and become a serious problem in modern society. In this work, we investigated the degradation of twelve sulfonamides (SAs) at environmentally relevant trace level concentrations by three different methods: ultraviolet (UV) photolysis, peroxymonosulfate (PMS) oxidation, and UV-activated PMS (UV/PMS). Sulfaguanidine, sulfadiazine, sulfamerazine, sulfamethazine, sulfathiazole, sulfamethoxydiazine, and sulfadimethoxine were be effectively removed by direct UV photolysis and PMS oxidation. However, sulfanilamide, sulfamethizole, sulfamethoxazole, sulfisoxazole, and sulfachloropyridazine were not completely degraded, despite prolonging the UV irradiation time to 30min or increasing the PMS concentration to 5.0mg·L(-1). UV/PMS provided more thorough elimination of SAs, as demonstrated by the complete removal of 200ng·L(-1) of all SAs within 5min at an initial PMS concentration of 1.0mg·L(-1). UV/PMS promoted SA decomposition more efficiently than UV photolysis or PMS oxidation alone. Bicarbonate concentration and pH had a negligible effect on SA degradation by UV/PMS. However, humic acid retarded the process. Removal of 200ng·L(-1) of each SA from a sample of sand-filtered effluent from a drinking water treatment plant (DWTPs) was quickly and completely achieved by UV/PMS. Meanwhile, about 41% of the total organic carbon (TOC) was eliminated. Scavenging experiments showed that sulfate radical (SO4(-)) was the predominant species involved in the degradation. It is concluded that UV/PMS is a rapid and efficient method for removing trace-level SAs from drinking water. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. A survey of innovation through duplication in the reduced genomes of twelve parasites.

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    Jeremy D DeBarry

    Full Text Available We characterize the prevalence, distribution, divergence, and putative functions of detectable two-copy paralogs and segmental duplications in the Apicomplexa, a phylum of parasitic protists. Apicomplexans are mostly obligate intracellular parasites responsible for human and animal diseases (e.g. malaria and toxoplasmosis. Gene loss is a major force in the phylum. Genomes are small and protein-encoding gene repertoires are reduced. Despite this genomic streamlining, duplications and gene family amplifications are present. The potential for innovation introduced by duplications is of particular interest. We compared genomes of twelve apicomplexans across four lineages and used orthology and genome cartography to map distributions of duplications against genome architectures. Segmental duplications appear limited to five species. Where present, they correspond to regions enriched for multi-copy and species-specific genes, pointing toward roles in adaptation and innovation. We found a phylum-wide association of duplications with dynamic chromosome regions and syntenic breakpoints. Trends in the distribution of duplicated genes indicate that recent, species-specific duplicates are often tandem while most others have been dispersed by genome rearrangements. These trends show a relationship between genome architecture and gene duplication. Functional analysis reveals: proteases, which are vital to a parasitic lifecycle, to be prominent in putative recent duplications; a pair of paralogous genes in Toxoplasma gondii previously shown to produce the rate-limiting step in dopamine synthesis in mammalian cells, a possible link to the modification of host behavior; and phylum-wide differences in expression and subcellular localization, indicative of modes of divergence. We have uncovered trends in multiple modes of duplicate divergence including sequence, intron content, expression, subcellular localization, and functions of putative recent duplicates that

  4. Characterizing gene-gene interactions in a statistical epistasis network of twelve candidate genes for obesity.

    Science.gov (United States)

    De, Rishika; Hu, Ting; Moore, Jason H; Gilbert-Diamond, Diane

    2015-01-01

    Recent findings have reemphasized the importance of epistasis, or gene-gene interactions, as a contributing factor to the unexplained heritability of obesity. Network-based methods such as statistical epistasis networks (SEN), present an intuitive framework to address the computational challenge of studying pairwise interactions between thousands of genetic variants. In this study, we aimed to analyze pairwise interactions that are associated with Body Mass Index (BMI) between SNPs from twelve genes robustly associated with obesity (BDNF, ETV5, FAIM2, FTO, GNPDA2, KCTD15, MC4R, MTCH2, NEGR1, SEC16B, SH2B1, and TMEM18). We used information gain measures to identify all SNP-SNP interactions among and between these genes that were related to obesity (BMI > 30 kg/m(2)) within the Framingham Heart Study Cohort; interactions exceeding a certain threshold were used to build an SEN. We also quantified whether interactions tend to occur more between SNPs from the same gene (dyadicity) or between SNPs from different genes (heterophilicity). We identified a highly connected SEN of 709 SNPs and 1241 SNP-SNP interactions. Combining the SEN framework with dyadicity and heterophilicity analyses, we found 1 dyadic gene (TMEM18, P-value = 0.047) and 3 heterophilic genes (KCTD15, P-value = 0.045; SH2B1, P-value = 0.003; and TMEM18, P-value = 0.001). We also identified a lncRNA SNP (rs4358154) as a key node within the SEN using multiple network measures. This study presents an analytical framework to characterize the global landscape of genetic interactions from genome-wide arrays and also to discover nodes of potential biological significance within the identified network.

  5. Thermal environment in eight low-energy and twelve conventional Finnish houses.

    Science.gov (United States)

    Kähkönen, Erkki; Salmi, Kari; Holopainen, Rauno; Pasanen, Pertti; Reijula, Kari

    2015-11-01

    We assessed the thermal environment of eight recently built low-energy houses and twelve conventional Finnish houses. We monitored living room, bedroom and outdoor air temperatures and room air relative humidity from June 2012 to September 2013. Perceived thermal environment was evaluated using a questionnaire survey during the heating, cooling and interim seasons. We compared the measured and perceived thermal environments of the low-energy and conventional houses. The mean air temperature was 22.8 °C (21.9-23.8 °C) in the low-energy houses, and 23.3 °C (21.4-26.5 °C) in the conventional houses during the summer (1. June 2013-31. August 2013). In the winter (1. December 2012-28. February 2013), the mean air temperature was 21.3 °C (19.8-22.5 °C) in the low-energy houses, and 21.6 °C (18.1-26.4 °C) in the conventional houses. The variation of the air temperature was less in the low-energy houses than that in the conventional houses. In addition, the occupants were on average slightly more satisfied with the indoor environment in the low-energy houses. However, there was no statistically significant difference between the mean air temperature and relative humidity of the low-energy and conventional houses. Our measurements and surveys showed that a good thermal environment can be achieved in both types of houses.

  6. Phytochemical screening of twelve species of phytoplankton isolated from Arabian Sea coast

    Directory of Open Access Journals (Sweden)

    Sushanth Vishwanath Rai

    2015-11-01

    Full Text Available Objective: To analyze the phytochemicals in twelve species of marine phytoplankton. Methods: Total phenolic content of methanol extract was estimated by the Folin-Ciocalteu method. Total flavonoid content of the methanol extarct was determined by aluminium chloride method. Chlorophylls, β-carotene and astaxanthin were estimated by acetone extraction method. Vitamin C was determined by dinitrophenyl-hydrazine method. Phycobiliproteins such as allophycocyanin, phycocyanin and phycoerythrin in the aqueous extracts were determined. Results: Total phenolics varied from 5.41 mg gallic acid equivalents/g dry weight (DW in Phormidium corium (P. corium to 17.37 mg gallic acid equivalents/g DW in Oscillatoria fremyii (O. fremyii. Total flavonoids ranged between 0.74 mg quercetin equivalent/g DW in P. corium and 9.87 mg quercetin equivalent/g DW in Nannochloropsis oceanica. Chlorophyll-a pigment was high in Chaetoceros calcitrans (C. calcitrans (15.51 mg/g DW and low in P. corium (1.08 mg/g DW. Chlorophyll-c ranged between 0.07 mg/g DW in Nannochloropsis oceanica and 4.62 mg/g DW in C. calcitrans. High contents of β-carotene and astaxanthin were found in C. calcitrans and low in P. corium which ranged from 0.33 to 10.03 mg/g DW and 0.18 to 3.85 mg/g DW, respectively. Vitamin C content varied from 0.50 mg/g DW in C. calcitrans to 1.51 mg/g DW in Phormidium tenue. O. fremyii showed highest total phycobiliproteins of 317.05 mg/g DW. High contents of allophycocyanin and phycocyanin were found in O. fremyii, whereas high contents of phycoerythrin were found in Oscillatoria sancta. All the three phycobiliproteins were low in Chroococcus turgidus. Conclusions: Marine phytoplankton are one of the natural sources providing novel biologically active compounds with potential for pharmaceutical applications.

  7. The ligand binding domain controls glucocorticoid receptor dynamics independent of ligand release.

    Science.gov (United States)

    Meijsing, Sebastiaan H; Elbi, Cem; Luecke, Hans F; Hager, Gordon L; Yamamoto, Keith R

    2007-04-01

    Ligand binding to the glucocorticoid receptor (GR) results in receptor binding to glucocorticoid response elements (GREs) and the formation of transcriptional regulatory complexes. Equally important, these complexes are continuously disassembled, with active processes driving GR off GREs. We found that co-chaperone p23-dependent disruption of GR-driven transcription depended on the ligand binding domain (LBD). Next, we examined the importance of the LBD and of ligand dissociation in GR-GRE dissociation in living cells. We showed in fluorescence recovery after photobleaching studies that dissociation of GR from GREs is faster in the absence of the LBD. Furthermore, GR interaction with a target promoter revealed ligand-specific exchange rates. However, using covalently binding ligands, we demonstrated that ligand dissociation is not required for receptor dissociation from GREs. Overall, these studies showed that activities impinging on the LBD regulate GR exchange with GREs but that the dissociation of GR from GREs is independent from ligand dissociation.

  8. Correcting ligands, metabolites, and pathways

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    Vriend Gert

    2006-11-01

    Full Text Available Abstract Background A wide range of research areas in bioinformatics, molecular biology and medicinal chemistry require precise chemical structure information about molecules and reactions, e.g. drug design, ligand docking, metabolic network reconstruction, and systems biology. Most available databases, however, treat chemical structures more as illustrations than as a datafield in its own right. Lack of chemical accuracy impedes progress in the areas mentioned above. We present a database of metabolites called BioMeta that augments the existing pathway databases by explicitly assessing the validity, correctness, and completeness of chemical structure and reaction information. Description The main bulk of the data in BioMeta were obtained from the KEGG Ligand database. We developed a tool for chemical structure validation which assesses the chemical validity and stereochemical completeness of a molecule description. The validation tool was used to examine the compounds in BioMeta, showing that a relatively small number of compounds had an incorrect constitution (connectivity only, not considering stereochemistry and that a considerable number (about one third had incomplete or even incorrect stereochemistry. We made a large effort to correct the errors and to complete the structural descriptions. A total of 1468 structures were corrected and/or completed. We also established the reaction balance of the reactions in BioMeta and corrected 55% of the unbalanced (stoichiometrically incorrect reactions in an automatic procedure. The BioMeta database was implemented in PostgreSQL and provided with a web-based interface. Conclusion We demonstrate that the validation of metabolite structures and reactions is a feasible and worthwhile undertaking, and that the validation results can be used to trigger corrections and improvements to BioMeta, our metabolite database. BioMeta provides some tools for rational drug design, reaction searches, and

  9. Multicomponent mixtures for cryoprotection and ligand solubilization

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    Lidia Ciccone

    2015-09-01

    Full Text Available Mixed cryoprotectants have been developed for the solubilization of ligands for crystallization of protein–ligand complexes and for crystal soaking. Low affinity lead compounds with poor solubility are problematic for structural studies. Complete ligand solubilization is required for co-crystallization and crystal soaking experiments to obtain interpretable electron density maps for the ligand. Mixed cryo-preserving compounds are needed prior to X-ray data collection to reduce radiation damage at synchrotron sources. Here we present dual-use mixes that act as cryoprotectants and also promote the aqueous solubility of hydrophobic ligands. Unlike glycerol that increases protein solubility and can cause crystal melting the mixed solutions of cryo-preserving compounds that include precipitants and solubilizers, allow for worry-free crystal preservation while simultaneously solubilizing relatively hydrophobic ligands, typical of ligands obtained in high-throughput screening. The effectiveness of these mixture has been confirmed on a human transthyretin crystals both during crystallization and in flash freezing of crystals.

  10. Climate Projection Data base for Roads - CliPDaR: Design a guideline for a transnational database of downscaled climate projection data for road impact models - within the Conference's of European Directors of Roads (CEDR) TRANSNATIONAL ROAD RESEARCH PROG

    Science.gov (United States)

    Matulla, Christoph; Namyslo, Joachim; Fuchs, Tobias; Türk, Konrad

    2013-04-01

    The European road sector is vulnerable to extreme weather phenomena, which can cause large socio-economic losses. Almost every year there occur several weather triggered events (like heavy precipitation, floods, landslides, high winds, snow and ice, heat or cold waves, etc.), that disrupt transportation, knock out power lines, cut off populated regions from the outside and so on. So, in order to avoid imbalances in the supply of vital goods to people as well as to prevent negative impacts on health and life of people travelling by car it is essential to know present and future threats to roads. Climate change might increase future threats to roads. CliPDaR focuses on parts of the European road network and contributes, based on the current body of knowledge, to the establishment of guidelines helping to decide which methods and scenarios to apply for the estimation of future climate change based challenges in the field of road maintenance. Based on regional scale climate change projections specific road-impact models are applied in order to support protection measures. In recent years, it has been recognised that it is essential to assess the uncertainty and reliability of given climate projections by using ensemble approaches and downscaling methods. A huge amount of scientific work has been done to evaluate these approaches with regard to reliability and usefulness for investigations on possible impacts of climate changes. CliPDaR is going to collect the existing approaches and methodologies in European countries, discuss their differences and - in close cooperation with the road owners - develops a common line on future applications of climate projection data to road impact models. As such, the project will focus on reviewing and assessing existing regional climate change projections regarding transnational highway transport needs. The final project report will include recommendations how the findings of CliPDaR may support the decision processes of European

  11. Coordinate unsaturation with fluorinated ligands

    Energy Technology Data Exchange (ETDEWEB)

    Rack, J.L.; Hurlburt, P.K.; Anderson, O.P.; Strauss, S.H. [Colorado State Univ., Ft. Collins, CO (United States)

    1993-12-31

    The preparation and characterization of Zn(OTeF{sub 5}){sub 2} has resulted in a model compound with which to explore the concept of coordinative unsaturation. The coordination of solvents of varying donicity and dielectric constant to the Zn(II) ions in Zn(OTeF{sub 5}){sub 2} was studied by vapor phase monometry, NMR and IR spectroscopy, conductimetry, and X-Ray crystallography. The structures of [Zn(C{sub 6}H{sub 5}NO{sub 2}){sub 2}(OTeF{sub 5})2]2 and Zn(C{sub 6}H{sub 5}NO{sub 2}){sub 3}(OTEF{sub 5}){sub 2} demonstrate the electronic flexibility of some weakly coordinating solvents in that nitrobenzene can function as either an {eta}{sup 1}O or {eta}{sup 2}O,O`-ligand. The dependence of the number of bound solvent molecules and the degree of OTeF{sub 5}{minus} dissociation on solvent donor number and dielectric constant will be presented.

  12. Phytochemical screening of twelve species of phytoplankton isolated from Arabian Sea coast

    Institute of Scientific and Technical Information of China (English)

    Sushanth Vishwanath Rai; Madaiah Rajashekhar

    2015-01-01

    Objective:To analyze the phytochemicals in twelve species of marine phytoplankton. Methods: Total phenolic content of methanol extract was estimated by the Folin-Ciocalteu method. Total flavonoid content of the methanol extarct was determined by aluminium chloride method. Chlorophylls,β-carotene and astaxanthin were estimated by acetone extraction method. Vitamin C was determined by dinitrophenyl-hydrazine method. Phycobiliproteins such as allophycocyanin, phycocyanin and phycoerythrin in the aqueous extracts were determined. Results: Total phenolics varied from 5.41 mg gallic acid equivalents/g dry weight (DW) in Phormidium corium (P. corium) to 17.37 mg gallic acid equivalents/g DW inOscillatoria fremyii(O. fremyii). Total flavonoids ranged between 0.74 mg quercetin equivalent/g DW inP. corium and 9.87 mg quercetin equivalent/g DW inNannochloropsis oceanica. Chlorophyll-a pigment was high inChaetoceros calcitrans(C. calcitrans)(15.51 mg/g DW) and low inP. corium (1.08 mg/g DW). Chlorophyll-c ranged between 0.07 mg/g DW inNannochloropsis oceanica and 4.62 mg/g DW inC. calcitrans. High contents ofβ-carotene and astaxanthin were found inC. calcitrans and low inP. corium which ranged from 0.33 to 10.03 mg/g DW and 0.18 to 3.85 mg/g DW, respectively. Vitamin C content varied from 0.50 mg/g DW inC. calcitrans to 1.51 mg/g DW inPhormidium tenue.O. fremyii showed highest total phycobiliproteins of 317.05 mg/g DW. High contents of allophycocyanin and phycocyanin were found inO. fremyii, whereas high contents of phycoerythrin were found inOscillatoria sancta. All the three phycobiliproteins were low inChroococcus turgidus. Conclusions: Marine phytoplankton are one of the natural sources providing novel biologically active compounds with potential for pharmaceutical applications.

  13. Nutrient Contents per Serving of Twelve Varieties of Cooked Rice Marketed in Jordan

    Directory of Open Access Journals (Sweden)

    Jafar M. El-Qudah

    2008-01-01

    Full Text Available Jordan imports rice from different countries without any quality preferences. Twelve varieties of cooked rice marketed in Jordan were analyzed. The content per serving of these varieties were computed for energy, protein, carbohydrates, fat, calcium, sodium, potassium, magnesium, manganese, copper, iron and phosphorous. The protein content per serving found to range from 0.49 g for La Cigala rice to 6.2 g for Harvest rice. The fat content for all rice brands was less than 0.37 g per serving. The energy content ranged from 172.12 g/serving for Basmati rice to 212.25 g/serving for Sun White rice. Generally, all rice varieties contain significant amounts of minerals per serving. Ruzzana found to contain the highest level of calcium (38.2 mg/serving and Amber the lowest calcium content (6.7 mg/serving. Magnesium content found to range from 5.7 mg/serving for Royal Umberella rice to 16.3 mg/serving for Ruzzana rice. Consumption of one serving of Harvest cooked rice will cover 13.5% of the daily requirement of protein for females and 11.1% for males. Manganese content of one serving of Harvest, Sun White, Abu bent and La Cigala will cover 22.2% of the daily requirements for females and 14.7% for males, while consumption of one of Basmati, Sos rice or Amber will cover only 11.1% and 8.75 of requirement for females and males respectively. Planning a healthful diet is not a simple task. Dietary Reference Intake planning and assessing the diets of individuals or groups of healthy individuals according to their stage of life and sex. Food choice is a function of many factors, including personal preferences, habits, ethnic heritage and tradition. Dietary guidelines for Americans, consider whole grain products like rice are among the food groups that form the basis of a healthy diet. Including rice as part of a healthy, balanced diet can be linked to overall healthier eating patterns. Rice eaters are more likely to eat a diet consistent with the 2005 Dietary

  14. Risk factors for chronic noncontiguous diseases: Twelve-week prospective study

    Directory of Open Access Journals (Sweden)

    Lapčević Mirjana

    2004-01-01

    basis of RF number and combination for genesis and development of CND in our sample, 74.7% of variability (development or risk may be accounted for angina pectoris (AP, 74.2% for DM+HTA, 70.0% for DM, 79.9% for HTA, 80.8% for myocardial infarction (Ml, and 85.8% of variability (development or risk for cerebrovascular insult (CVI. Twelve-week intervention resulted in reduction of HTA, HLP, glucose, and PC (p<0.001 levels as well as lower BMI and PA (p<0.5. To accomplish the aforementioned goals, continuous mutual activity of an individual, his/her family, health service and community is required, along with occasional evaluation of the obtained results.

  15. Experiencing a constructivist museum exhibit: A case study of twelve children and their families

    Science.gov (United States)

    Hill, Martha Anne Leech

    2002-04-01

    The American Association for the Advancement of Science and the National Research Council have called for the creation of a scientifically literate populace and introduced science standards and guidelines to direct this process. Science education in traditional school settings plays a key role in reaching this goal, but individuals over their lifetimes will have more exposure to science ideas through informal science experiences such as visits to museums and through diverse media sources. The purpose of this study was to explore the role museums play in this journey to science literacy. This qualitative collective case study examined the experience of 12 children and their families in a children's museum as they interacted with an exhibit designed along the tenets of constructivist theory to introduce children to ideas of science. Twelve children and their families were videotaped interacting with a model of a watershed that included the stream, surrounding land, gravel, and dam building and erosion abatement manipulatives. Children were interviewed to ascertain their stream-related ideas and conceptual understanding prior to and after using the exhibit. Parents completed demographic and post-exhibit experience questionnaires. Two museum staff members who played key roles in the development of the exhibit and surrounding gallery were also interviewed. Individual and cross-case analyses were done to describe the experience of each child and family, and to elucidate the commonalities of these experiences to describe the phenomenon of using a constructivist-based science exhibit. Results of the study indicate (1) the type of experience children and families had at the exhibit depended on child and parent interactions and roles each assumed, and (2) experience with the exhibit encouraged children to think more deeply about water topics, past experiences, and ideas they had previously constructed. Implications of this research include (1) parents should engage children

  16. [Risk factors for chronic noncontiguous diseases: twelve-week prospective study].

    Science.gov (United States)

    Lapcević, Mirjana; Vuković, Mira

    2004-01-01

    RF number and combination for genesis and development of CND in our sample, 74.7% of variability (development or risk) may be accounted for angina pectoris (AP), 74.2% for DM+HTA, 70.0% for DM, 79.9% for HTA, 80.8% for myocardial infarction (MI), and 85.8% of variability (development or risk) for cerebrovascular insult (CVI). Twelve-week intervention resulted in reduction of HTA, HLP, glucose, and PC (p<0.001) levels as well as lower BMI and PA (p<0.5). To accomplish the aforementioned goals, continuous mutual activity of an individual, his/her family, health service and community is required, along with occasional evaluation of the obtained results.

  17. Development of a validated LC method for enantiomeric separation and determination of adrafinil and its related substances on a Chiralcel OJ-H column connected to PDA and polarimetric detectors in series.

    Science.gov (United States)

    Rao, R Nageswara; Maurya, Pawan K; Shinde, Dhananjay D

    2010-11-01

    A rapid and reliable high-performance liquid chromatographic method for resolution of enantiomers of adrafinil [(±)-ADL], a novel vigilance promoting agent, and its synthetic intermediates was developed. The separation was carried out on a Chiralcel OJ-H using n-hexane-ethanol (62:38 v/v) as a mobile phase. The detection was carried out at 225 nm using a photodiode array (PDA) detector. The optical rotation and order of elution of enantiomers were assigned. The method is suitable not only for process development of ADL but also for quality assurance of bulk drugs and pharmaceuticals.

  18. Distribution of unselectively bound ligands along DNA.

    Science.gov (United States)

    Lando, Dmitri Y; Nechipurenko, Yury D

    2008-10-01

    Unselective and reversible adsorption of ligands on DNA for a model of binding proposed by Zasedatelev, Gursky, and Volkenshtein is considered. In this model, the interaction between neighboring ligands located at the distance of i binding centers is characterized by the statistical weight ai. Each ligand covers L binding centers. For this model, expressions for binding averages are represented in a new simple form. This representation is convenient for the calculation of the fraction of inter-ligand distances of i binding centers fd(i) and the fraction of binding centers included in the distances of i binding centers fbc(i) for various types of interaction between bound ligands. It is shown that, for non-cooperative binding, contact cooperativity and long-range cooperativity, the fraction of the zero inter-ligand distance fd(0) is maximal at any relative concentration of bound ligands (r). Calculations demonstrate that, at low r, fd(0) approximately r.ao, and fd(i) approximately r at 11/r-L, then fd(i) rapidly decreases with i at any r for all types of inter-ligand interaction. At high ligand concentration (r is close to rmax=L(-1)), fd(0) is close to unity and fd(i) rapidly decreases with i for any type of inter-ligand interaction. For strong contact cooperativity, fd(0) is close to unity in a much lager r interval ((0.5-1).rmax), and fd(1) approximately ao(-1) at r approximately 0.5.rmax. In the case of long-range interaction between bound ligands, the dependence fd(i) is more complex and has a maximum at i approximately (1/r-L)1/2 for anti-cooperative binding. fbc(i) is maximal at i approximately 1/r-L for all types of binding except the contact cooperativity. A strong asymmetry in the influence of contact cooperativity and anticooperativity on the ligand distribution along DNA is demonstrated.

  19. A structural feature of the non-peptide ligand interactions with mice mu-opioid receptors.

    Science.gov (United States)

    Noori, Hamid R; Mucksch, Christian; Urbassek, Herbert M

    2014-01-01

    By binding to and activating the G-protein coupled μ-, κ- and δ-opioid receptors in the central nervous system, opiates are known to induce analgesic and sedative effects. In particular, non-peptide opioid ligands are often used in clinical applications to induce these therapeutically beneficial effects, due to their superior pharmacokinetics and bioavailability in comparison to endogenous neuropeptides. However, since opioid alkaloids are highly addictive substances, it is necessary to understand the exact mechanisms of their actions, specifically the ligand-binding properties of the target receptors, in order to safely apply opiates for therapeutic purposes. Using an in silico molecular docking approach (AutoDock Vina) combined with two-step cluster analysis, we have computationally obtained the docking scores and the ligand-binding pockets of twelve representative non-peptide nonendogenous agonists and antagonists at the crystallographically identified μ-opioid receptor. Our study predicts the existence of two main binding sites that are congruently present in all opioid receptor types. Interestingly, in terms of the agonist or antagonist properties of the substances on the receptors, the clustering analysis suggests a relationship with the position of the ligand-binding pockets, particularly its depth within the receptor structure. Furthermore, the binding affinity of the substances is directly correlated to the proximity of the binding pockets to the extracellular space. In conclusion, the results provide further insights into the structural features of the functional pharmacology of opioid receptors, suggesting the importance of the binding position of non-peptide agonists and antagonists- specifically the distance and the level of exposure to the extracellular space- to their dissociation kinetics and subsequent potency.

  20. Automated design of ligands to polypharmacological profiles

    Science.gov (United States)

    Besnard, Jérémy; Ruda, Gian Filippo; Setola, Vincent; Abecassis, Keren; Rodriguiz, Ramona M.; Huang, Xi-Ping; Norval, Suzanne; Sassano, Maria F.; Shin, Antony I.; Webster, Lauren A.; Simeons, Frederick R.C.; Stojanovski, Laste; Prat, Annik; Seidah, Nabil G.; Constam, Daniel B.; Bickerton, G. Richard; Read, Kevin D.; Wetsel, William C.; Gilbert, Ian H.; Roth, Bryan L.; Hopkins, Andrew L.

    2012-01-01

    The clinical efficacy and safety of a drug is determined by its activity profile across multiple proteins in the proteome. However, designing drugs with a specific multi-target profile is both complex and difficult. Therefore methods to rationally design drugs a priori against profiles of multiple proteins would have immense value in drug discovery. We describe a new approach for the automated design of ligands against profiles of multiple drug targets. The method is demonstrated by the evolution of an approved acetylcholinesterase inhibitor drug into brain penetrable ligands with either specific polypharmacology or exquisite selectivity profiles for G-protein coupled receptors. Overall, 800 ligand-target predictions of prospectively designed ligands were tested experimentally, of which 75% were confirmed correct. We also demonstrate target engagement in vivo. The approach can be a useful source of drug leads where multi-target profiles are required to achieve either selectivity over other drug targets or a desired polypharmacology. PMID:23235874

  1. Ligand inducible assembly of a DNA tetrahedron.

    Science.gov (United States)

    Dohno, Chikara; Atsumi, Hiroshi; Nakatani, Kazuhiko

    2011-03-28

    Here we show that a small synthetic ligand can be used as a key building component for DNA nanofabrication. Using naphthyridinecarbamate dimer (NCD) as a molecular glue for DNA hybridization, we demonstrate NCD-triggered formation of a DNA tetrahedron.

  2. The Impact of the Financial Crisis on the Content of Twelve Bestselling US Principles of Economics Textbooks

    DEFF Research Database (Denmark)

    Madsen, Poul Thøis

    2013-01-01

    How have authors of twelve bestselling introductory US textbooks in economics responded to the traumatizing financial crisis? In general the financial crisis is described with a couple of lines here and there or it is dealt with in boxes, separate sections, or specific isolated chapters. Some...... of the textbooks distinguish themselves by also having made some modest qualitative changes of content as a reaction to the financial crisis (especially Colander 2010 and Krugman and Wells 2013). Applying my general analysis of the changes being made already in the twelve textbooks seen as a whole, I discuss how...... any introductory textbook could integrate the financial crisis more adequately into the general presentation, thereby hopefully contributing to enhancing the interest of the students....

  3. Bis- and Tetrakis(carboxylato)platinum(IV) complexes with mixed axial ligands - synthesis, characterization, and cytotoxicity.

    Science.gov (United States)

    Hoffmeister, Björn R; Hejl, Michaela; Adib-Razavi, Mahsa S; Jakupec, Michael A; Galanski, Markus; Keppler, Bernhard K

    2015-04-01

    A series of twelve novel diamminetetrakis(carboxylato)platinum(IV) and 18 novel bis(carboxylato)dichlorido(ethane-1,2-diamine)platinum(IV) complexes with mixed axial carboxylato ligands was synthesized and characterized by multinuclear (1) H-, (13) C-, (15) N-, and (195) Pt-NMR spectroscopy. Their cytotoxic potential was evaluated (by MTT assay) against three human cancer cell lines derived from ovarian teratocarcinoma (CH1/PA-1), lung (A549), and colon carcinoma (SW480). In the cisplatin-sensitive CH1/PA-1 cancer cell line, diamminetetrakis(carboxylato)platinum(IV) complexes showed IC50 values in the low micromolar range, whereas, for the most lipophilic compounds of the bis(carboxylato)dichlorido(ethane-1,2-diamine)platinum(IV) series, IC50 values in the nanomolar range were found. Copyright © 2015 Verlag Helvetica Chimica Acta AG, Zürich.

  4. RUGBY GAME-RELATED STATISTICS THAT DISCRIMINATE BETWEEN WINNING AND LOSING TEAMS IN IRB AND SUPER TWELVE CLOSE GAMES

    Directory of Open Access Journals (Sweden)

    Luis Vaz

    2010-03-01

    Full Text Available The aim of the current study was to identify the Rugby game- related statistics that discriminated between winning and losing teams in IRB and S12 close games. Archival data reported to game-related statistics from 120 IRB games and 204 Super Twelve games played between 2003 and 2006. Afterwards, a cluster analysis was conducted to establish, according to game final score differences, three different match groups. Only the close games group was selected for further analysis (IRB n = 64 under 15 points difference and Super Twelve n = 95 under 11 points difference. An analysis to the structure coefficients (SC obtained through a discriminant analysis allowed to identify the most powerful game-related statistics in discriminating between winning and losing teams. The discriminant functions were statistically significant for Super Twelve games (Chi-square = 33.8, p < 0.01, but not for IRB games (Chi- square = 9.4, p = n.s.. In the first case, winners and losers were discriminated by possessions kicked (SC = 0.48, tackles made (SC = 0.45, rucks and pass (SC = -0.40, passes completed (SC = 0. 39, mauls won (SC = -0.36, turnovers won (SC = -0.33, kicks to touch (SC = 0.32 and errors made (SC = -0.32. The minus sign denotes higher values in losing teams. Rugby game-related statistics were able to discriminate between winners and losers in Super Twelve close games and suggest that a kicking based game supported by an effective defensive structure is more likely to win matches than a possession based one

  5. Nye ligander for Pt-MOF strukturer

    OpenAIRE

    Jakobsen, Søren

    2006-01-01

    Metalorganic frameworks (MOFs) are a new type of compounds which have been intensely investigated during the last few years. They have been synthesized using a wide variety of metals and ligands constructing a vast number of 1, 2 and 3 dimensional structures, some of which possess zeolite-type physics and chemistry. Our approach is to incorporate platinum metal sites into the structures making them bimetallic and potentially catalytically active. Therefore a number of N-N-type ligands (dii...

  6. SnapShot: GPCR-Ligand Interactions.

    Science.gov (United States)

    Ghosh, Eshan; Nidhi, Kumari; Shukla, Arun K

    2014-12-18

    G-protein-coupled receptors enable cells to recognize numerous external stimuli and to transmit corresponding signals across the plasma membrane to trigger appropriate cellular responses. Crystal structures of a number of these receptors have now been determined in inactive and active conformations bound to chemically and functionally distinct ligands. These crystal structures illustrate overall receptor organization and atomic details of ligand-receptor interactions. Copyright © 2014 Elsevier Inc. All rights reserved.

  7. A versatile dinucleating ligand containing sulfonamide groups

    DEFF Research Database (Denmark)

    Sundberg, Jonas; Witt, Hannes; Cameron, Lisa

    2014-01-01

    Copper, iron, and gallium coordination chemistries of the new pentadentate bis-sulfonamide ligand 2,6-bis(N-2-pyridylmethylsulfonamido)-4-methylphenol (psmpH3) were investigated. PsmpH3 is capable of varying degrees of deprotonation, and notably, complexes containing the fully trideprotonated...... ligand can be prepared in aqueous solutions using only divalent metal ions. Two of the copper(II) complexes, [Cu2(psmp)(OH)] and [Cu2(psmp)(OAc)2]-, demonstrate the anticipated 1:2 ligand/metal stoichiometry and show that the dimetallic binding site created for exogenous ligands possesses high inherent...... flexibility since additional one- and three-atom bridging ligands bridge the two copper(II) ions in each complex, respectively. This gives rise to a difference of 0.4 Å in the Cu···Cu distances. Complexes with 2:3 and 2:1 ligand/metal stoichiometries for the divalent and trivalent metal ions, respectively...

  8. Designer TGFβ superfamily ligands with diversified functionality.

    Directory of Open Access Journals (Sweden)

    George P Allendorph

    Full Text Available Transforming Growth Factor--beta (TGFβ superfamily ligands, including Activins, Growth and Differentiation Factors (GDFs, and Bone Morphogenetic Proteins (BMPs, are excellent targets for protein-based therapeutics because of their pervasiveness in numerous developmental and cellular processes. We developed a strategy termed RASCH (Random Assembly of Segmental Chimera and Heteromer, to engineer chemically-refoldable TGFβ superfamily ligands with unique signaling properties. One of these engineered ligands, AB208, created from Activin-βA and BMP-2 sequences, exhibits the refolding characteristics of BMP-2 while possessing Activin-like signaling attributes. Further, we find several additional ligands, AB204, AB211, and AB215, which initiate the intracellular Smad1-mediated signaling pathways more strongly than BMP-2 but show no sensitivity to the natural BMP antagonist Noggin unlike natural BMP-2. In another design, incorporation of a short N-terminal segment from BMP-2 was sufficient to enable chemical refolding of BMP-9, without which was never produced nor refolded. Our studies show that the RASCH strategy enables us to expand the functional repertoire of TGFβ superfamily ligands through development of novel chimeric TGFβ ligands with diverse biological and clinical values.

  9. Radicular anatomy of twelve representatives of the Catasetinae subtribe (Orchidaceae: Cymbidieae

    Directory of Open Access Journals (Sweden)

    Cristiano Pedroso-de-Moraes

    2012-06-01

    Full Text Available Considering that the root structure of the Brazilian genera belonging to the Catasetinae subtribe is poorly known, we describe the roots of twelve representatives from this subtribe. For anatomical analysis, the roots were fixed in FAA 50, preserved in ethanol 70% and sectioned at its medium region using razor blades. The sections were stained with 0.05% astra blue and safranin and mounted in glycerin. For the identification of starch we used Lugol's solution; for lignin, floroglucin chloridric; for lipids, Sudan III, and for flavanoids, potassium hydroxide. The relevant aspects were registered using a digital camera joined with an Olympus microspope (BX51 model. The structural similarities of all roots support the placement of the subtribe Catasetinae into the monophyletic tribe Cymbidieae. Some root features are restricted to one or two taxa and can be useful in the systematics of the subtribe. For example, the occurrence of flavonoidic crystals characterizes the genera Catasetum and Cychnodes, and the number of the velamen layers and the shape of the epivelamen cells are useful to confirm the taxonomic position of Clowesia amazonica. The presence of velamen and flavonoidic crystals was interpreted as an adaptation to the epiphytic habit.Considerando que a estrutura das raízes de gêneros brasileiros pertencentes à subtribo Catasetinae é pouco conhecida, descrevemos as raízes de doze representantes desta subtribo. Para análise anatômica, as raízes foram fixadas em FAA 50, preservadas em álcool 70% e seccionadas na sua região média usando lâminas de barbear. Os cortes foram corados com astra blue e Safrablau 0,05% e montados em glicerina. Para a identificação do amido, utilizou-se a solução de Lugol; da lignina, floroglucina clorídrica, dos lipídios, Sudan III e dos flavonóides, hidróxido de potássio. Os aspectos relevantes foram registrados usando câmera digital acoplada a um microscópio Olympus (modelo BX51. As semelhan

  10. LigandRFs: random forest ensemble to identify ligand-binding residues from sequence information alone

    KAUST Repository

    Chen, Peng

    2014-12-03

    Background Protein-ligand binding is important for some proteins to perform their functions. Protein-ligand binding sites are the residues of proteins that physically bind to ligands. Despite of the recent advances in computational prediction for protein-ligand binding sites, the state-of-the-art methods search for similar, known structures of the query and predict the binding sites based on the solved structures. However, such structural information is not commonly available. Results In this paper, we propose a sequence-based approach to identify protein-ligand binding residues. We propose a combination technique to reduce the effects of different sliding residue windows in the process of encoding input feature vectors. Moreover, due to the highly imbalanced samples between the ligand-binding sites and non ligand-binding sites, we construct several balanced data sets, for each of which a random forest (RF)-based classifier is trained. The ensemble of these RF classifiers forms a sequence-based protein-ligand binding site predictor. Conclusions Experimental results on CASP9 and CASP8 data sets demonstrate that our method compares favorably with the state-of-the-art protein-ligand binding site prediction methods.

  11. Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand.

    Directory of Open Access Journals (Sweden)

    Samuel DeLuca

    Full Text Available RosettaLigand has been successfully used to predict binding poses in protein-small molecule complexes. However, the RosettaLigand docking protocol is comparatively slow in identifying an initial starting pose for the small molecule (ligand making it unfeasible for use in virtual High Throughput Screening (vHTS. To overcome this limitation, we developed a new sampling approach for placing the ligand in the protein binding site during the initial 'low-resolution' docking step. It combines the translational and rotational adjustments to the ligand pose in a single transformation step. The new algorithm is both more accurate and more time-efficient. The docking success rate is improved by 10-15% in a benchmark set of 43 protein/ligand complexes, reducing the number of models that typically need to be generated from 1000 to 150. The average time to generate a model is reduced from 50 seconds to 10 seconds. As a result we observe an effective 30-fold speed increase, making RosettaLigand appropriate for docking medium sized ligand libraries. We demonstrate that this improved initial placement of the ligand is critical for successful prediction of an accurate binding position in the 'high-resolution' full atom refinement step.

  12. 一岁以下婴儿动脉导管未闭的外科治疗%Surgical Treatment of PDA in Infants Under One Year of Age

    Institute of Scientific and Technical Information of China (English)

    韩茂棠; 郑杰; 董维树; 房志勤; 孙文榕; 范崇济; 张巧芳; 路雪英

    1987-01-01

    1978年来我院对22例一岁以下的动脉导管未闭的患儿进行了手术治疗,术前诊断根据体征、超声心动图及胸片作出.我们主张采取积极态度,尽早手术,尤对反复发作肺炎并心衰的惠儿更应注意.手术方法经胸膜外入路行导管结扎术,效果良好,无术后并发症及死亡.1986年7月12日收稿)%Twenty two cases of PDA in infants under one year of age were operated on in Tianjin Children's Hospital since 1978, mostly from April 1985 to 1986. Diagnosis was made by peripheral vascular signs and echocardiography combined with chest X-ray. The murmur may be obscured or altered in heart failure, in 59% of the patients only a systolic murmur could be heard. In this age group, PDA with clinical symptoms including those of -heart failure or pneumonia should always be the indication of operative interruption. Good exposure can be obtained from the extrapleural approach. The convalescence was smooth in all patients and there was no postoperative complications or death.

  13. 基于PDA的设备信息管理系统设计与实现%The Design and Implementation of the PDA-based Equipments Information Management System

    Institute of Scientific and Technical Information of China (English)

    余升; 杨明军; 汪洋

    2014-01-01

    In the process of the construction and usage of teaching equipments, the lack of efficient information management means and inefficient information usage have caused many problems. In this paper, we adopted multiple database techniques and mobile devices development techniques and soft-hardware based encrypt techniques to develop a PDA-based information man-agement system. We achieved the goal of dynamical systematic visual management of teaching equipment information. This PDA-based IMS provided a powerful guarantee for efficient increase of teaching equipment supporting capacity and teaching ef-fectiveness of equipments.%针对教学设备建设、使用过程中,大量综合信息缺乏有效的管理手段,信息不能有效保存且不便高效使用等问题,综合采用数据库技术、移动平台开发技术和软硬件加密等技术,研制开发一套基于移动平台PDA的信息管理系统,实现教学设备综合信息的动态化、系统化和可视化管理,为有效提高教学设备的保障能力、充分发挥教学设备的教学效益提供有力保障。

  14. 基于VRS技术的GPS-PDA在森林资源调查监测中的应用%Application of GPS-PDA in Inventory and Monitoring of Forest Resources Based on VRS Technology

    Institute of Scientific and Technical Information of China (English)

    黄宁辉

    2012-01-01

    介绍GPS - PDA软硬件组成及在外业建标、建模、数据验证、GCP采集、面积求算、专项调查等有关森林资源调查监测方面的应用.详细阐述Trimble Geo - XT移动站在森林监测中的应用实例和步骤,认为基于VRS技术的GPS - PDA在森林资源调查监测中具有定位精度高,定位方式灵活、可灵活定制调查表格、提高外业数据采集效率、数据兼容性好等优点.%This paper introduced the application of GPS-PDA in setting up standard, modeling, dala validation, GCP acquisition, area calculated, special survey on forest resources inventory and monitoring, and hardware and software building. Elaborated the application examples and steps of Trimble Ceo-XT mobile station in the forest monitoring. Believed that on the base of VRS technology, GPS-PDA has advantages in the investigation and monitoring of forest resources with high positioning accuracy, positioning flexible, and data compatibility, can be flexibly customized survey form, to improve data collection efficiency.

  15. Ad Hoc on-Demand Distance Vector (AODV Routing Protocol Performance Evaluation on Hybrid Ad Hoc Network: Comparison of Result of Ns-2 Simulation and Implementation on Testbed using PDA

    Directory of Open Access Journals (Sweden)

    Riri Sari

    2010-10-01

    Full Text Available In Mobile Ad hoc NETwork (MANET, node supplemented with wireless equipment has the capacity to manage and organise autonomously, without the presence of network infrastructures. Hybrid ad hoc network, enable several nodes to move freely (mobile to create instant communication. Independent from infrastructure. They could access the Local Area Network (LAN or the Internet. Functionalities of ad hoc network very much dependent on the routing protocol that determines the routing around node. Ad hoc On-demand Distance Vector (AODV is one of routing protocols in ad hoc network which has a reactive characteristic. This protocol is the most common protocol being researched and used. In this Research, AODV protocol investigation was conducted by developing a testbed using Personal Computer, several Laptops (the Linux Red Hat operation system 9.0 and Fedora Core 2, and Personal Digital Assistant (PDA. This research also made a complete package by mean of cross compilation for PDA iPAQ. In general, results obtained from the simulation of AODV protocol using Network Simulator NS-2 are packet delivery ratio 99.89%, end-to-end delay of 0.14 seconds and routing overhead of 1,756.61 byte per second. Afterwards results from simulation were compared to results from testbed. Results obtained from testbed are as follows: the packet delivery ratio is 99.57%, the end-to-end delay is 1.004 seconds and the routing overhead is 1,360.36 byte per second.

  16. Synthesis and characterization of mixed ligand chiral nanoclusters

    KAUST Repository

    Guven, Zekiye P.

    2016-06-22

    Chiral mixed ligand silver nanoclusters were synthesized in the presence of a chiral and an achiral ligand. While the chiral ligand led mostly to the formation of nanoparticles, the presence of the achiral ligand drastically increased the yield of nanoclusters with enhanced chiral properties. © 2016 The Royal Society of Chemistry.

  17. New polypyridine anchoring ligands for coordination complexes and surface functionalization

    OpenAIRE

    Müller, Steffen

    2015-01-01

    This PhD thesis focuses on the synthesis of new polypyridine anchoring ligands and several dfferent applications. The ligands consist of a coordinating part, a flexible linker and an anchoring group. Due to the fact that different anchoring groups were used, the ligands can be applied for several types of surface-materials. Using these anchoring ligands, several coordination complexes were synthesized. Ruthenium-based complexes, bearing an ion-sensitive ligand, were tested towards...

  18. Multiple ligand simultaneous docking: orchestrated dancing of ligands in binding sites of protein.

    Science.gov (United States)

    Li, Huameng; Li, Chenglong

    2010-07-30

    Present docking methodologies simulate only one single ligand at a time during docking process. In reality, the molecular recognition process always involves multiple molecular species. Typical protein-ligand interactions are, for example, substrate and cofactor in catalytic cycle; metal ion coordination together with ligand(s); and ligand binding with water molecules. To simulate the real molecular binding processes, we propose a novel multiple ligand simultaneous docking (MLSD) strategy, which can deal with all the above processes, vastly improving docking sampling and binding free energy scoring. The work also compares two search strategies: Lamarckian genetic algorithm and particle swarm optimization, which have respective advantages depending on the specific systems. The methodology proves robust through systematic testing against several diverse model systems: E. coli purine nucleoside phosphorylase (PNP) complex with two substrates, SHP2NSH2 complex with two peptides and Bcl-xL complex with ABT-737 fragments. In all cases, the final correct docking poses and relative binding free energies were obtained. In PNP case, the simulations also capture the binding intermediates and reveal the binding dynamics during the recognition processes, which are consistent with the proposed enzymatic mechanism. In the other two cases, conventional single-ligand docking fails due to energetic and dynamic coupling among ligands, whereas MLSD results in the correct binding modes. These three cases also represent potential applications in the areas of exploring enzymatic mechanism, interpreting noisy X-ray crystallographic maps, and aiding fragment-based drug design, respectively.

  19. Immobilisation of ligands by radio-derivatized polymers; Immobilisering av ligander med radioderiverte polymerer

    Energy Technology Data Exchange (ETDEWEB)

    Varga, J.M.; Fritsch, P.

    1995-01-30

    The invention relates to radio-derivatized polymers and a method of producing them by contacting non-polymerizable conjugands with radiolysable polymers in the presence of irradiation. The resulting radio-derivatized polymers can be further linked with ligand of organic or inorganic nature to immobilize such ligands. 2 figs., 5 tabs.

  20. Organotellurium ligands - designing and complexation reactions

    Indian Academy of Sciences (India)

    Ajai K Singh

    2002-08-01

    A variety of tellurium ligands has been designed and studied for their complexation reactions in the last decade. Of these hybrid telluroethers, halotellurium ligands and polytellurides are the most notable ones. RTe- and polytelluride ions have also been used to design clusters. Ligation of ditelluroethers and several hybrid telluroethers is extensively studied in our laboratories. The ditelluroether ligand RTeCH2TeR (where R = 4-MeOC6H4) (1), similar to dppm [1,2-bis(diphenylphosphino) methane], has been synthesized in good yield (∼80 %) by reacting CHCl3 with RTe- (generated in situ by borohydride reduction of R2Te2). Iodine reacts with 1 to give tetra-iodo derivative, which has intermolecular Te$\\cdots$I interactions resulting in a macro structure containing rectangular Te-I$\\cdots$Te bridges. 1 readily forms four membered rings with Pd(II) and Ru(II). On the formation of this chelate ring, the signal in 125Te NMR spectra shifts significantly upfield (50-60 ppm). The bridging mode of 1 has been shown in [Ru(-cymene)Cl2](-1)[Ru(-cymene)Cl2]. The hybrid telluroether ligands explored are of the types (Te, S), (Te, N) and (Te, O). The tellurium donor site has strong trans influence, which is manifested more strongly in square planar complexes of palladium(II). The morpholine N-donor site has been found to have weaker donor characteristics in (Te, N) ligands than pyridine and alkylamine donor sites of analogous ligands. The singlet oxygen readily oxidises the coordinated Te. This oxidation follows first order kinetics. The complexation reaction of RuCl3.H2O with N-[2-(4-methoxyphenyltelluro)ethyl]phthalimide (2) results in a novel (Te, N, O)-heterocycle, Te-chloro,Te-anisyl-1a-aza-4-oxa-3-tellura-1H, 2H, 4aH-9 fluorenone. The (Te, O) ligands can be used as hemilabile ligands, the oxygen atom temporarily protects the vacant coordination site before the arrival of the substrate. The chelate shifts observed in 125Te NMR spectra of metal complexes of Te-ligands have

  1. Dockomatic - automated ligand creation and docking

    Directory of Open Access Journals (Sweden)

    Hampikian Greg

    2010-11-01

    Full Text Available Abstract Background The application of computational modeling to rationally design drugs and characterize macro biomolecular receptors has proven increasingly useful due to the accessibility of computing clusters and clouds. AutoDock is a well-known and powerful software program used to model ligand to receptor binding interactions. In its current version, AutoDock requires significant amounts of user time to setup and run jobs, and collect results. This paper presents DockoMatic, a user friendly Graphical User Interface (GUI application that eases and automates the creation and management of AutoDock jobs for high throughput screening of ligand to receptor interactions. Results DockoMatic allows the user to invoke and manage AutoDock jobs on a single computer or cluster, including jobs for evaluating secondary ligand interactions. It also automates the process of collecting, summarizing, and viewing results. In addition, DockoMatic automates creation of peptide ligand .pdb files from strings of single-letter amino acid abbreviations. Conclusions DockoMatic significantly reduces the complexity of managing multiple AutoDock jobs by facilitating ligand and AutoDock job creation and management.

  2. Dockomatic - automated ligand creation and docking.

    Science.gov (United States)

    Bullock, Casey W; Jacob, Reed B; McDougal, Owen M; Hampikian, Greg; Andersen, Tim

    2010-11-08

    The application of computational modeling to rationally design drugs and characterize macro biomolecular receptors has proven increasingly useful due to the accessibility of computing clusters and clouds. AutoDock is a well-known and powerful software program used to model ligand to receptor binding interactions. In its current version, AutoDock requires significant amounts of user time to setup and run jobs, and collect results. This paper presents DockoMatic, a user friendly Graphical User Interface (GUI) application that eases and automates the creation and management of AutoDock jobs for high throughput screening of ligand to receptor interactions. DockoMatic allows the user to invoke and manage AutoDock jobs on a single computer or cluster, including jobs for evaluating secondary ligand interactions. It also automates the process of collecting, summarizing, and viewing results. In addition, DockoMatic automates creation of peptide ligand .pdb files from strings of single-letter amino acid abbreviations. DockoMatic significantly reduces the complexity of managing multiple AutoDock jobs by facilitating ligand and AutoDock job creation and management.

  3. Sliding tethered ligands add topological interactions to the toolbox of ligand-receptor design

    Science.gov (United States)

    Bauer, Martin; Kékicheff, Patrick; Iss, Jean; Fajolles, Christophe; Charitat, Thierry; Daillant, Jean; Marques, Carlos M.

    2015-09-01

    Adhesion in the biological realm is mediated by specific lock-and-key interactions between ligand-receptor pairs. These complementary moieties are ubiquitously anchored to substrates by tethers that control the interaction range and the mobility of the ligands and receptors, thus tuning the kinetics and strength of the binding events. Here we add sliding anchoring to the toolbox of ligand-receptor design by developing a family of tethered ligands for which the spacer can slide at the anchoring point. Our results show that this additional sliding degree of freedom changes the nature of the adhesive contact by extending the spatial range over which binding may sustain a significant force. By introducing sliding tethered ligands with self-regulating length, this work paves the way for the development of versatile and reusable bio-adhesive substrates with potential applications for drug delivery and tissue engineering.

  4. A new class of PN3-pincer ligands for metal–ligand cooperative catalysis

    KAUST Repository

    Li, Huaifeng

    2014-12-01

    Work on a new class of PN3-pincer ligands for metal-ligand cooperative catalysis is reviewed. While the field of the pyridine-based PN3-transition metal pincer complexes is still relatively young, many important applications of these complexes have already emerged. In several cases, the PN3-pincer complexes for metal-ligand cooperative catalysis result in significantly improved or unprecedented activities. The synthesis and coordination chemistry of PN3-pincer ligands are briefly summarized first to cover the synthetic routes for their preparation, followed by a focus review on their applications in catalysis. A specific emphasis is placed on the later section about the role of PN3-pincer ligands\\' dearomatization-rearomatization steps during the catalytic cycles. The mechanistic insights from density functional theory (DFT) calculations are also discussed.

  5. Ocular hypotensive effect, preservation of visual fields, and safety of adding dorzolamide to prostaglandin therapy for twelve months

    Directory of Open Access Journals (Sweden)

    Kenji Inoue

    2011-03-01

    Full Text Available Kenji Inoue1,3, Mieko Masumoto1,3, Masato Wakakura1, Goji Tomita2, On behalf of the Ochanomizu Ophthalmology Study Group31Inouye Eye Hospital, Tokyo, Japan; 2Department of Ophthalmology, Toho University School of Medicine, Tokyo, Japan; 3Ochanomizu Ophthalmology, Tokyo, JapanPurpose: To prospectively evaluate the safety, hypotensive effect, and preservation of visual fields of dorzolamide when added to latanoprost.Subjects and methods: This study included 46 patients (46 eyes with primary open-angle glaucoma who had been treated with latanoprost. Dorzolamide (1% was added to latanoprost, and the intraocular pressure (IOP was monitored before and after 3, 6, and 12 months. The mean deviation shown by Humphrey perimetry was compared before and after twelve months of treatment. Adverse reactions were monitored over the 12-month study period.Results: The mean baseline IOP was 17.2 ± 3.0 mmHg while those after 3, 6 and 12 months of treatment were 14.9 ± 3.0 mmHg, 14.5 ± 3.2 mmHg, and 14.6 ± 2.6 mmHg respectively (P < 0.0001, 1-ß(power = 0.9999571. The absolute reduction of IOP and the percent reduction were similar after 3, 6, and 12 months of treatment. The mean deviation on Humphrey perimetry was similar before and after twelve months of treatment. Three patients discontinued dorzolamide therapy due to elevation of IOP and one patient discontinued it because of adverse reactions.Conclusion: Dorzolamide is safe and effective when used for twelve months as add-on therapy to latanoprost for open-angle glaucoma.Keywords: dorzolamide, primary open-angle glaucoma, latanoprost 

  6. Do supervised weekly exercise programs maintain functional exercise capacity and quality of life, twelve months after pulmonary rehabilitation in COPD?

    Directory of Open Access Journals (Sweden)

    Alison Jennifer A

    2007-05-01

    Full Text Available Abstract Background Pulmonary rehabilitation programs have been shown to increase functional exercise capacity and quality of life in COPD patients. However, following the completion of pulmonary rehabilitation the benefits begin to decline unless the program is of longer duration or ongoing maintenance exercise is followed. Therefore, the aim of this study is to determine if supervised, weekly, hospital-based exercise compared to home exercise will maintain the benefits gained from an eight-week pulmonary rehabilitation program in COPD subjects to twelve months. Methods Following completion of an eight-week pulmonary rehabilitation program, COPD subjects will be recruited and randomised (using concealed allocation in numbered envelopes into either the maintenance exercise group (supervised, weekly, hospital-based exercise or the control group (unsupervised home exercise and followed for twelve months. Measurements will be taken at baseline (post an eight-week pulmonary rehabilitation program, three, six and twelve months. The exercise measurements will include two six-minute walk tests, two incremental shuttle walk tests, and two endurance shuttle walk tests. Oxygen saturation, heart rate and dyspnoea will be monitored during all these tests. Quality of life will be measured using the St George's Respiratory Questionnaire and the Hospital Anxiety and Depression Scale. Participants will be excluded if they require supplemental oxygen or have neurological or musculoskeletal co-morbidities that will prevent them from exercising independently. Discussion Pulmonary rehabilitation plays an important part in the management of COPD and the results from this study will help determine if supervised, weekly, hospital-based exercise can successfully maintain functional exercise capacity and quality of life following an eight-week pulmonary rehabilitation program in COPD subjects in Australia.

  7. Cationic ruthenium alkylidene catalysts bearing phosphine ligands.

    Science.gov (United States)

    Endo, Koji; Grubbs, Robert H

    2016-02-28

    The discovery of highly active catalysts and the success of ionic liquid immobilized systems have accelerated attention to a new class of cationic metathesis catalysts. We herein report the facile syntheses of cationic ruthenium catalysts bearing bulky phosphine ligands. Simple ligand exchange using silver(i) salts of non-coordinating or weakly coordinating anions provided either PPh3 or chelating Ph2P(CH2)nPPh2 (n = 2 or 3) ligated cationic catalysts. The structures of these newly reported catalysts feature unique geometries caused by ligation of the bulky phosphine ligands. Their activities and selectivities in standard metathesis reactions were also investigated. These cationic ruthenium alkylidene catalysts reported here showed moderate activity and very similar stereoselectivity when compared to the second generation ruthenium dichloride catalyst in ring-closing metathesis, cross metathesis, and ring-opening metathesis polymerization assays.

  8. Flexible Ligand Docking Using Evolutionary Algorithms

    DEFF Research Database (Denmark)

    Thomsen, Rene

    2003-01-01

    The docking of ligands to proteins can be formulated as a computational problem where the task is to find the most favorable energetic conformation among the large space of possible protein–ligand complexes. Stochastic search methods such as evolutionary algorithms (EAs) can be used to sample large...... search spaces effectively and is one of the commonly used methods for flexible ligand docking. During the last decade, several EAs using different variation operators have been introduced, such as the ones provided with the AutoDock program. In this paper we evaluate the performance of different EA...... settings such as choice of variation operators, population size, and usage of local search. The comparison is performed on a suite of six docking problems previously used to evaluate the performance of search algorithms provided with the AutoDock program package. The results from our investigation confirm...

  9. The myrmicine ant genus Metapone Forel (Hymenoptera: Formicidae): a global taxonomic review with descriptions of twelve new species.

    Science.gov (United States)

    Taylor, Robert W; Alpert, Gary D

    2016-04-26

    The 28 known species of Metapone are monographed and illustrated. Twelve are described as new: M. africana, Gabon; M. balinensis, Bali, Indonesia; M. enigmatica, northeast New Guinea; M. hoelldobleri, northeast Queensland, Australia; M. javana, Java, Indonesia; M. manni, Viti Levu, Fiji; M. mathinnae, Flinders Island, Tasmania, Australia; M. philwardi, northeast New Guinea; M. salomonis, Guadalcanal, Solomon Islands; M. tecklini, northeast Queensland; M. titan, New Ireland, Papua New Guinea; M. wallaceana, Lombok, Indonesia; spp.n. New synonymies include M. greeni Forel = M. johni Karavaiev (Sri Lanka) syn.n, and M. jacobsoni Crawley (Sumatra) = M. nicobarensis Tiwari & Jonathan (Great Nicobar Island) syn.n.

  10. Ligand Intermediates in Metal-Catalyzed Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Gladysz, John A.

    1999-07-31

    The longest-running goal of this project has been the synthesis, isolation, and physical chemical characterization of homogeneous transition metal complexes containing ligand types believed to be intermediates in the metal-catalyzed conversion of CO/H{sub 2}, CO{sub 2}, CH{sub 4}, and similar raw materials to organic fuels, feedstocks, etc. In the current project period, complexes that contain unusual new types of C{sub x}(carbide) and C{sub x}O{sub y} (carbon oxide) ligands have been emphasized. A new program in homogeneous fluorous phase catalysis has been launched as described in the final report.

  11. Efficient chemoenzymatic synthesis of chiral pincer ligands.

    Science.gov (United States)

    Felluga, Fulvia; Baratta, Walter; Fanfoni, Lidia; Pitacco, Giuliana; Rigo, Pierluigi; Benedetti, Fabio

    2009-05-01

    Chiral, nonracemic pincer ligands based on the 6-phenyl-2-aminomethylpyridine and 2-aminomethylbenzo[h]quinoline scaffolds were obtained by a chemoenzymatic approach starting from 2-pyridyl and 2-benzoquinolyl ethanone. In the enantiodifferentiating step, secondary alcohols of opposite absolute configuration were obtained by a baker's yeast reduction of the ketones and by lipase-mediated dynamic kinetic resolution of the racemic alcohols. Their transformation into homochiral 1-methyl-1-heteroarylethanamines occurred without loss of optical purity, giving access to pincer ligands used in enantioselective catalysis.

  12. Synthesis, characterisation, spectral, thermal, XRD, molecular modelling and potential antibacterial study of metal complexes containing octadentate azodye ligands

    Science.gov (United States)

    Mahapatra, Bipin Bihari; Chaulia, Satyanarayan; Sarangi, Ashish Kumar; Dehury, Satyanarayan; Panda, Jnyanaranjan

    2015-05-01

    Twelve tetrametallic complexes of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) with two new octadentate azodye ligands, 4,4‧-bis(2‧,4‧-dihydroxy-5‧carboxyphenylazo) diphenylether (LH6) and 4,4‧-bis(2‧,4‧-dihydroxy-5‧-acylphenylazo) diphenylether (L‧H4) have been synthesised. The structural elucidation of the complexes was made basing upon analytical, conductance, magnetic susceptibility, IR, electronic spectra, ESR, NMR, ESI-MS, TG, DTG, DTA and X-ray diffraction (powder pattern) data. The cobalt (II) and nickel (II) complexes are found to be octahedral, copper (II) complexes are distorted octahedral and a tetrahedral stereochemistry has been suggested to zinc (II), cadmium (II) and mercury (II) complexes. The thermal analysis data provided the kinetic parameters as order of decomposition reaction, activation energy and frequency factor. The geometry of the ligands and their Co(II), Ni(II), Cu(II) and Zn(II) complexes were optimised and their physicochemical properties were calculated by using molecular modelling procedure. The ESI-MS determination supports the molecular formula and molecular weight of the ligands and the complexes. The Ni(II) complex is found to have a triclinic crystal system. The potential antibacterial study of the two ligands and eight metal complexes was made by cup-plate method against one gram positive and one gram negative bacteria. The results showed increase in the activity of some metal complexes as compare with azodye ligands.

  13. CLiBE: a database of computed ligand binding energy for ligand-receptor complexes.

    Science.gov (United States)

    Chen, X; Ji, Z L; Zhi, D G; Chen, Y Z

    2002-11-01

    Consideration of binding competitiveness of a drug candidate against natural ligands and other drugs that bind to the same receptor site may facilitate the rational development of a candidate into a potent drug. A strategy that can be applied to computer-aided drug design is to evaluate ligand-receptor interaction energy or other scoring functions of a designed drug with that of the relevant ligands known to bind to the same binding site. As a tool to facilitate such a strategy, a database of ligand-receptor interaction energy is developed from known ligand-receptor 3D structural entries in the Protein Databank (PDB). The Energy is computed based on a molecular mechanics force field that has been used in the prediction of therapeutic and toxicity targets of drugs. This database also contains information about ligand function and other properties and it can be accessed at http://xin.cz3.nus.edu.sg/group/CLiBE.asp. The computed energy components may facilitate the probing of the mode of action and other profiles of binding. A number of computed energies of some PDB ligand-receptor complexes in this database are studied and compared to experimental binding affinity. A certain degree of correlation between the computed energy and experimental binding affinity is found, which suggests that the computed energy may be useful in facilitating a qualitative analysis of drug binding competitiveness.

  14. Comparison on extraction yield of sennoside A and sennoside B from senna (Cassia angustifolia) using conventional and non conventional extraction techniques and their quantification using a validated HPLC-PDA detection method.

    Science.gov (United States)

    Dhanani, Tushar; Singh, Raghuraj; Reddy, Nagaraja; Trivedi, A; Kumar, Satyanshu

    2017-05-01

    Senna is an important medicinal plant and is used in many Ayurvedic formulations. Dianthraquinone glucosides are the main bioactive phytochemicals present in leaves and pods of senna. The extraction efficiency in terms of yield and composition of the extract of senna prepared using both conventional (cold percolation at room temperature and refluxing) and non conventional (ultrasound and microwave assisted solvent extraction as well as supercritical fluid extraction) techniques were compared in the present study. Also a rapid reverse phase HPLC-PDA detection method was developed and validated for the simultaneous determination of sennoside A and sennoside B in the different extracts of senna leaves. Ultrasound and microwave assisted solvent extraction techniques were more effective in terms of yield and composition of the extracts compared to cold percolation at room temperature and refluxing methods of extraction.

  15. 基于PDA的信息设备运维管理系统开发%Development of PDA-Oriented Operation and Maintenance Management System for Information Equipment

    Institute of Scientific and Technical Information of China (English)

    翟凤杰

    2014-01-01

    基于手持移动PDA终端平台,设计并开发出供信息设备运维部门使用的运维管理信息系统,实现在现场进行运维记录的登记,为管理部门进行运维绩效的考核以及信息设备维护的决策提供了可靠的保证。%Based on hand-held mobile personal digital assistant (PDA) terminal platform, our hospital designs and develops an operation and maintenance management system for information equipment. With the application of the system, operation and maintenance records can be registered, which will provide reliable guarantee for performance appraisal and decision making of management department.

  16. 掌上电脑在门诊输液中心的临床应用%The Clinical Application of Personal Digital Assistant (PDA) in Outpatient Infusion Center

    Institute of Scientific and Technical Information of China (English)

    陶怡; 邓跃碧

    2013-01-01

    以重庆医科大学附属儿童医院为例,对比使用掌上电脑(PDA)前后的流程图,分析其在登记排号、配置药液、输液叫号、静脉穿刺、换瓶处理、结束输液、统计工作量等方面的应用效果.结果表明PDA能提高输液中心护士的工作效率,减少用药差错,值得在门诊输液中心推广.

  17. The Effect o f Twelve - Week Recreation Act i v ities on the Anxiety Level of Female Pri soners

    Directory of Open Access Journals (Sweden)

    Zekiye B AŞARAN

    2015-07-01

    Full Text Available T h e a i m o f t h e s t u d y w a s to examine the effect of twelve - weeks recreation activities on the trait anxiety level of female prisoners in the prisons. The sampling of this study consists of 45 female prisoners who are in the Open Prison in Kandira, 22 of whom are in the experimental group and 23 of whom are in the control group. Different activities, such as music, dance, meditatio n, sportive activities, movies and videos, fun and entertainment activities and competitions, were performed one and half hours a day and two days a week. This lasted for twelve weeks. The data were collected by pre - tests and post - tests that were given bo th at the beginning and at the end of this program. Personal information form and Spielberger anxiety inventory were used as the data collecting tool. The reliability coefficient (Cronbach Alpha was calculated as ,873. The data were analysed with SPSS Win dows 18 programme. Descriptive statistics and Wilcoxon test were conducted. A si gnificant statistical correlation was determined between the prisoners’ pre - tests and post - tests scores in the experimental group (p <0.05. A s c o n c l u s i o n , a positive impact on trait anxiety levels of prisoners w a s f o u n d a f t e r 12 weeks o f recreational activities.

  18. Risk assessment of K basin twelve-inch drain valve failure from a postulated seismic initiating event

    Energy Technology Data Exchange (ETDEWEB)

    MORGAN, R.G.

    1999-04-06

    The Spent Nuclear Fuel (SNF) Project will transfer metallic SNF from the Hanford 105 K-East and 105 K-West Basins to safe interim storage in the Canister Storage Building in the 200 Area. The initial basis for design, fabrication, installation, and operation of the fuel removal systems was that the basin leak rates which could result from a postulated accident condition would not be excessive relative to reasonable recovery operations. However, an additional potential K Basin water leak path is through the K Basin drain valves. Three twelve-inch drain valves are located in the main basin bays along the north wall. The sumps containing the valves are filled with concrete which covers the drain valve body. Visual observations suggest that only the valve's bonnet and stem are exposed above the basin concrete floor. It was recognized, however, that damage of the drain valve bonnet or stem during a seismic initiating event could provide a potential K Basin water leak path. The objectives of this activity are to: (1) evaluate the risk of damaging the three twelve-inch drain valves located along the north wall of the main basin from a seismic initiating event, and (2) determine the associated potential leak rate from a damaged valve.

  19. Twelve new species and fifty-three new provincial distribution records of Aleocharinae rove beetles of Saskatchewan, Canada (Coleoptera, Staphylinidae).

    Science.gov (United States)

    Klimaszewski, Jan; Larson, David J; Labrecque, Myriam; Bourdon, Caroline

    2016-01-01

    One hundred twenty species of aleocharine beetles (Staphylinidae) are recognized in the province of Saskatchewan. Sixty-five new provincial records, including twelve new species and one new North American record, are presented. Oligota inflata (Mannerheim), a Palearctic species, is newly recorded for North America. The following twelve species are described as new to science: Acrotona pseudopygmaea Klimaszewski & Larson, sp. n., Agaricomorpha pulchra Klimaszewski & Larson, sp. n. (new genus record for Canadian fauna), Aleochara elisabethae Klimaszewski & Larson, sp. n., Atheta (Dimetrota) larsonae Klimaszewski & Larson, sp. n., Atheta (Microdota) pseudopittionii Klimaszewski & Larson, sp. n., Atheta (Microdota) spermathecorum Klimaszewski & Larson, sp. n., Atheta (sensu lato) richardsoni Klimaszewski & Larson, sp. n., Brachyusa saskatchewanae Klimaszewski & Larson, sp. n., Dochmonota langori Klimaszewski & Larson, sp. n., Dochmonota simulans Klimaszewski & Larson, sp. n., Dochmonota websteri Klimaszewski & Larson, sp. n., and Oxypoda domestica Klimaszewski & Larson, sp. n. Colour images of habitus and black and white images of the median lobe of the aedeagus, spermatheca, and tergite and sternite VIII are presented for all new species, Oligota inflata Mannerheim and Dochmonota rudiventris (Eppelsheim). A new synonymy is established: Tetralina filitarsus Casey, syn. n. = Tetralina helenae Casey, now placed in the genus Brachyusa Mulsant & Rey.

  20. Risk assessment of K basin twelve-inch drain valve failure from a postulated seismic initiating event

    Energy Technology Data Exchange (ETDEWEB)

    MORGAN, R.G.

    1999-04-06

    The Spent Nuclear Fuel (SNF) Project will transfer metallic SNF from the Hanford 105 K-East and 105 K-West Basins to safe interim storage in the Canister Storage Building in the 200 Area. The initial basis for design, fabrication, installation, and operation of the fuel removal systems was that the basin leak rates which could result from a postulated accident condition would not be excessive relative to reasonable recovery operations. However, an additional potential K Basin water leak path is through the K Basin drain valves. Three twelve-inch drain valves are located in the main basin bays along the north wall. The sumps containing the valves are filled with concrete which covers the drain valve body. Visual observations suggest that only the valve's bonnet and stem are exposed above the basin concrete floor. It was recognized, however, that damage of the drain valve bonnet or stem during a seismic initiating event could provide a potential K Basin water leak path. The objectives of this activity are to: (1) evaluate the risk of damaging the three twelve-inch drain valves located along the north wall of the main basin from a seismic initiating event, and (2) determine the associated potential leak rate from a damaged valve.

  1. A class III archaeological survey of twelve region wide fencing upgrade locations in Eagle, Grand, Gunnison, Jackson, Moffat, Pitkin, and Routt counties, Colorado

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — The Colorado Department of Transportation proposes to upgrade existing right-of-way fencing along roadways at twelve separate locations in northwestern Colorado. To...

  2. [Functional selectivity of opioid receptors ligands].

    Science.gov (United States)

    Audet, Nicolas; Archer-Lahlou, Elodie; Richard-Lalonde, Mélissa; Piñeyro-Filpo, Graciela

    2010-01-01

    Opiates are the most effective analgesics available for the treatment of severe pain. However, their clinical use is restricted by unwanted side effects such as tolerance, physical dependence and respiratory depression. The strategy to develop new opiates with reduced side effects has mainly focused on the study and production of ligands that specifically bind to different opiate receptors subtypes. However, this strategy has not allowed the production of novel therapeutic ligands with a better side effects profile. Thus, other research strategies need to be explored. One which is receiving increasing attention is the possibility of exploiting ligand ability to stabilize different receptor conformations with distinct signalling profiles. This newly described property, termed functional selectivity, provides a potential means of directing the stimulus generated by an activated receptor towards a specific cellular response. Here we summarize evidence supporting the existence of ligand-specific active conformations for two opioid receptors subtypes (delta and mu), and analyze how functional selectivity may contribute in the production of longer lasting, better tolerated opiate analgesics. double dagger.

  3. Ligand Exchange Kinetics of Environmentally Relevant Metals

    Energy Technology Data Exchange (ETDEWEB)

    Panasci, Adele Frances [Univ. of California, Davis, CA (United States)

    2014-07-15

    The interactions of ground water with minerals and contaminants are of broad interest for geochemists but are not well understood. Experiments on the molecular scale can determine reaction parameters (i.e. rates of ligand exchange, activation entropy, activation entropy, and activation volume) that can be used in computations to gain insight into reactions that occur in natural groundwaters. Experiments to determine the rate of isotopic ligand exchange for three environmentally relevant metals, rhodium (Rh), iron (Fe), and neptunium (Np), are described. Many environmental transformations of metals (e.g. reduction) in soil occur at trivalent centers, Fe(III) in particular. Contaminant ions absorb to mineral surfaces via ligand exchange, and the reversal of this reaction can be dangerous, releasing contaminants into the environment. Ferric iron is difficult to study spectroscopically because most of its complexes are paramagnetic and are generally reactive toward ligand exchange; therefore, Rh(III), which is diamagnetic and less reactive, was used to study substitution reactions that are analogous to those that occur on mineral oxide surfaces. Studies on both Np(V) and Np(VI) are important in their own right, as 237Np is a radioactive transuranic element with a half-life of 2 million years.

  4. Ligand iron catalysts for selective hydrogenation

    Science.gov (United States)

    Casey, Charles P.; Guan, Hairong

    2010-11-16

    Disclosed are iron ligand catalysts for selective hydrogenation of aldehydes, ketones and imines. A catalyst such as dicarbonyl iron hydride hydroxycyclopentadiene) complex uses the OH on the five member ring and hydrogen linked to the iron to facilitate hydrogenation reactions, particularly in the presence of hydrogen gas.

  5. Supramolecular architectures constructed using angular bipyridyl ligands

    CERN Document Server

    Barnett, S A

    2003-01-01

    This work details the synthesis and characterization of a series of coordination frameworks that are formed using bidentate angular N-donor ligands. Pyrimidine was reacted with metal(ll) nitrate salts. Reactions using Cd(NO sub 3) sub 2 receive particular focus and the analogous reactions using the linear ligand, pyrazine, were studied for comparison. In all cases, two-dimensional coordination networks were prepared. Structural diversity is observed for the Cd(ll) centres including metal-nitrate bridging. In contrast, first row transition metal nitrates form isostructural one-dimensional chains with only the bridging N-donor ligands generating polymeric propagation. The angular ligand, 2,4-bis(4-pyridyl)-1,3,5-triazine (dpt), was reacted with Cd(NO sub 3) sub 2 and Zn(NO sub 3) sub 2. Whereas Zn(NO sub 3) sub 2 compounds exhibit solvent mediated polymorphism, a range of structures were obtained for the reactions with Cd(NO sub 3) sub 2 , including the first example of a doubly parallel interpenetrated 4.8 sup...

  6. Receptor Binding Ligands to Image Infection

    NARCIS (Netherlands)

    Chianelli, M.; Boerman, O. C.; Malviya, G.; Galli, F.; Oyen, W. J. G.; Signore, A.

    2008-01-01

    The current gold standard for imaging infection is radiolabeled white blood cells. For reasons of safety, simplicity and cost, it would be desirable to have a receptor-specific ligand that could be used for imaging infection and that would allow a differential diagnosis between sterile and septic in

  7. The Extension of The Twelve-Point Sphere Theorem for a Tetrahedron%四面体的十二点二次曲面

    Institute of Scientific and Technical Information of China (English)

    王奇志; 王东生

    2012-01-01

    垂心四面体中四条高的垂足,四个面的重心及从各顶点与四面体的垂心连线的三等分点,共十二个点共球.试图把垂心改为四面体内的任意点,相应地把四条高线改换为过该点与每个顶点连线的共点直线组时,则将把垂心四面体的十二点球有趣地推广为四面体的十二点二次曲面.%The four feet of four altitudes for an orthocenter tetrahedron, the centers of gravity of the four faces, the trisection of the line segments from the orthocenter to four summits, total twelve points lie on same sphere, which is known as twelve-point sphere. If the orthocenter can be changed into any point within a tetrahedron in this paper, and corresponding the four perpendiculars also can be changed into the four lines segment passing through the given point to the summits of the tetrahedron, the twelve-point sphere can be changed into twelve-point quadric surface. Twelve point sphere of an orthocenter tetrahedron can be generalized to the twelve-point quadratic surface of a tetrahedron.

  8. Dissociation of Multisubunit Protein-Ligand Complexes in the Gas Phase. Evidence for Ligand Migration

    Science.gov (United States)

    Zhang, Yixuan; Deng, Lu; Kitova, Elena N.; Klassen, John S.

    2013-10-01

    The results of collision-induced dissociation (CID) experiments performed on gaseous protonated and deprotonated ions of complexes of cholera toxin B subunit homopentamer (CTB5) with the pentasaccharide (β-D-Gal p-(1→3)-β-D-Gal pNAc-(1→4)[α-D-Neu5Ac-(2→3)]-β-D-Gal p-(1→4)-β-D-Glc p (GM1)) and corresponding glycosphingolipid (β-D-Gal p-(1→3)-β-D-Gal pNAc-(1→4)[α-D-Neu5Ac-(2→3)]-β-D-Gal p-(1→4)-β-D-Glc p-Cer (GM1-Cer)) ligands, and the homotetramer streptavidin (S4) with biotin (B) and 1,2-dipalmitoyl- sn-glycero-3-phosphoethanolamine-N-(biotinyl) (Btl), are reported. The protonated (CTB5 + 5GM1)n+ ions dissociated predominantly by the loss of a single subunit, with the concomitant migration of ligand to another subunit. The simultaneous loss of ligand and subunit was observed as a minor pathway. In contrast, the deprotonated (CTB5 + 5GM1)n- ions dissociated preferentially by the loss of deprotonated ligand; the loss of ligand-bound and ligand-free subunit were minor pathways. The presence of ceramide (Cer) promoted ligand migration and the loss of subunit. The main dissociation pathway for the protonated and deprotonated (S4 + 4B)n+/- ions, as well as for deprotonated (S4 + 4Btl)n- ions, was loss of the ligand. However, subunit loss from the (S4 + 4B)n+ ions was observed as a minor pathway. The (S4 + 4Btl)n+ ions dissociated predominantly by the loss of free and ligand-bound subunit. The charge state of the complex and the collision energy were found to have little effect on the relative contribution of the different dissociation channels. Thermally-driven ligand migration between subunits was captured in the results of molecular dynamics simulations performed on protonated (CTB5 + 5GM1)15+ ions (with a range of charge configurations) at 800 K. Notably, the migration pathway was found to be highly dependent on the charge configuration of the ion. The main conclusion of this study is that the dissociation pathways of multisubunit protein-ligand

  9. Targeting Ligand-Dependent and Ligand-Independent Androgen Receptor Signaling in Prostate Cancer

    Science.gov (United States)

    2015-10-01

    Award Number: W81XWH-12-1-0288 TITLE: Targeting Ligand-Dependent and Ligand-Independent Androgen Receptor Signaling in Prostate Cancer...average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed...and completing and reviewing this collection of information. Send comments regarding this burden estimate or any other aspect of this collection of

  10. Quantum.Ligand.Dock: protein-ligand docking with quantum entanglement refinement on a GPU system.

    Science.gov (United States)

    Kantardjiev, Alexander A

    2012-07-01

    Quantum.Ligand.Dock (protein-ligand docking with graphic processing unit (GPU) quantum entanglement refinement on a GPU system) is an original modern method for in silico prediction of protein-ligand interactions via high-performance docking code. The main flavour of our approach is a combination of fast search with a special account for overlooked physical interactions. On the one hand, we take care of self-consistency and proton equilibria mutual effects of docking partners. On the other hand, Quantum.Ligand.Dock is the the only docking server offering such a subtle supplement to protein docking algorithms as quantum entanglement contributions. The motivation for development and proposition of the method to the community hinges upon two arguments-the fundamental importance of quantum entanglement contribution in molecular interaction and the realistic possibility to implement it by the availability of supercomputing power. The implementation of sophisticated quantum methods is made possible by parallelization at several bottlenecks on a GPU supercomputer. The high-performance implementation will be of use for large-scale virtual screening projects, structural bioinformatics, systems biology and fundamental research in understanding protein-ligand recognition. The design of the interface is focused on feasibility and ease of use. Protein and ligand molecule structures are supposed to be submitted as atomic coordinate files in PDB format. A customization section is offered for addition of user-specified charges, extra ionogenic groups with intrinsic pK(a) values or fixed ions. Final predicted complexes are ranked according to obtained scores and provided in PDB format as well as interactive visualization in a molecular viewer. Quantum.Ligand.Dock server can be accessed at http://87.116.85.141/LigandDock.html.

  11. Fusion of ligand-coated nanoparticles with lipid bilayers: effect of ligand flexibility.

    Science.gov (United States)

    Van Lehn, Reid C; Alexander-Katz, Alfredo

    2014-08-07

    Amphiphilic, monolayer-protected gold nanoparticles (AuNPs) have recently been shown to insert into and fuse with lipid bilayers, driven by the hydrophobic effect. The inserted transmembrane state is stabilized by the "snorkeling" of charged ligand end groups out of the bilayer interior. This snorkeling process is facilitated by the backbone flexibility of the alkanethiol ligands that comprise the monolayer. In this work, we show that fusion is favorable even in the absence of backbone flexibility by modeling the ligands as rigid rods. For rigid ligands, snorkeling is still accommodated by rotations of the ligand with respect to the grafting point, but the process incurs a more significant free energy penalty than if the backbone were fully flexible. We show that the rigid rod model predicts similar trends in the free energy change for insertion as the previous flexible model when the size of the AuNPs is varied. However, the rigidity of the ligand backbone reduces the overall magnitude of the free energy change compared to that of the flexible model. These results thus generalize previous findings to systems with hindered backbone flexibility due to either structural constraints or low temperature.

  12. Amino Acids in Nine Ligand-Prefer Ramachandran Regions

    Directory of Open Access Journals (Sweden)

    Chen Cao

    2015-01-01

    Full Text Available Several secondary structures, such as π-helix and left-handed helix, have been frequently identified at protein ligand-binding sites. A secondary structure is considered to be constrained to a specific region of dihedral angles. However, a comprehensive analysis of the correlation between main chain dihedral angles and ligand-binding sites has not been performed. We undertook an extensive analysis of the relationship between dihedral angles in proteins and their distance to ligand-binding sites, frequency of occurrence, molecular potential energy, amino acid composition, van der Waals contacts, and hydrogen bonds with ligands. The results showed that the values of dihedral angles have a strong preference for ligand-binding sites at certain regions in the Ramachandran plot. We discovered that amino acids preceding the ligand-prefer ϕ/ψ box residues are exposed more to solvents, whereas amino acids following ligand-prefer ϕ/ψ box residues form more hydrogen bonds and van der Waals contacts with ligands. Our method exhibited a similar performance compared with the program Ligsite-csc for both ligand-bound structures and ligand-free structures when just one ligand-binding site was predicted. These results should be useful for the prediction of protein ligand-binding sites and for analysing the relationship between structure and function.

  13. Open-shell organometallics: reactivity at the ligand

    NARCIS (Netherlands)

    W.I. Dzik; B. de Bruin

    2011-01-01

    The purpose of this review is to show that (cooperative) ligand radical reactivity can be effectively employed in synthetic organometallic chemistry and catalysis to achieve selectivity in radical-type transformations. The ‘redox non-innocence’ of ligands, and the controlled reactivity of ‘ligand ra

  14. Triple Bioaffinity Mass Spectrometry Concept for Thyroid Transporter Ligands

    NARCIS (Netherlands)

    Aqai, P.; Fryganas, C.; Mizuguchi, M.; Haasnoot, W.; Nielen, M.W.F.

    2012-01-01

    For the analysis of thyroid transporter ligands, a triple bioaffinity mass spectrometry (BioMS) concept was developed, with the aim at three different analytical objectives: rapid screening of any ligand, confirmation of known ligands in accordance with legislative requirements, and identification o

  15. Twelve reasons to refuse the nuclear in the MDP; Douze raisons pour refuser le nucleaire dans le MDP

    Energy Technology Data Exchange (ETDEWEB)

    Bonduelle, A

    2000-07-01

    The author presents twelve reasons which show that the nuclear energy has not a place in the MDP Mechanism of Clean Development: a main loophole for the developed countries, the doubtful ''additionality'' of the nuclear, the treaty ratification is more difficult with the nuclear, the domestic energy conservation is more efficient in Europe than the nuclear development, the nuclear white elephants facing the South debts, the technology transfers are doubtful, the developing countries and the sustainable development policies are evicted from the MDP, some options are more powerful in the South, the reactors and transport networks size are unsuited, the absence of democratic control, the nuclear proliferation, the nuclear safety and the wastes. (A.L.B.)

  16. Twelve positions in a β-lactamase that can expand its substrate spectrum with a single amino acid substitution.

    Directory of Open Access Journals (Sweden)

    Hyojeong Yi

    Full Text Available The continuous evolution of β-lactamases resulting in bacterial resistance to β-lactam antibiotics is a major concern in public health, and yet the underlying molecular basis or the pattern of such evolution is largely unknown. We investigated the mechanics of the substrate fspectrum expansion of the class A β-lactamase using PenA of Burkholderia thailandensis as a model. By analyzing 516 mutated enzymes that acquired the ceftazidime-hydrolyzing activity, we found twelve positions with single amino acid substitutions (altogether twenty-nine different substitutions, co-localized at the active-site pocket area. The ceftazidime MIC (minimum inhibitory concentration levels and the relative frequency in the occurrence of substitutions did not correlate well with each other, and the latter appeared be largely influenced by the intrinsic mutational biases present in bacteria. Simulation studies suggested that all substitutions caused a congruent effect, expanding the space in a conserved structure called the omega loop, which in turn increased flexibility at the active site. A second phase of selection, in which the mutants were placed under increased antibiotic pressure, did not result in a second mutation in the coding region, but a mutation that increased gene expression arose in the promoter. This result suggests that the twelve amino acid positions and their specific substitutions in PenA may represent a comprehensive repertoire of the enzyme's adaptability to a new substrate. These mapped substitutions represent a comprehensive set of general mechanical paths to substrate spectrum expansion in class A β-lactamases that all share a functional evolutionary mechanism using common conserved residues.

  17. Glycomimetic ligands for the human asialoglycoprotein receptor.

    Science.gov (United States)

    Mamidyala, Sreeman K; Dutta, Sanjay; Chrunyk, Boris A; Préville, Cathy; Wang, Hong; Withka, Jane M; McColl, Alexander; Subashi, Timothy A; Hawrylik, Steven J; Griffor, Matthew C; Kim, Sung; Pfefferkorn, Jeffrey A; Price, David A; Menhaji-Klotz, Elnaz; Mascitti, Vincent; Finn, M G

    2012-02-01

    The asialoglycoprotein receptor (ASGPR) is a high-capacity galactose-binding receptor expressed on hepatocytes that binds its native substrates with low affinity. More potent ligands are of interest for hepatic delivery of therapeutic agents. We report several classes of galactosyl analogues with varied substitution at the anomeric, C2-, C5-, and C6-positions. Significant increases in binding affinity were noted for several trifluoromethylacetamide derivatives without covalent attachment to the protein. A variety of new ligands were obtained with affinity for ASGPR as good as or better than that of the parent N-acetylgalactosamine, showing that modification on either side of the key C3,C4-diol moiety is well tolerated, consistent with previous models of a shallow binding pocket. The galactosyl pyranose motif therefore offers many opportunities for the attachment of other functional units or payloads while retaining low-micromolar or better affinity for the ASGPR.

  18. Leaching behavior of butanedionedioxime as gold ligand

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Butanedionedioxime, a small organic compound with low-toxicity and good chemical stability, has been proposed as an effective gold ligand in gold extraction. The result of experiment shows that: 1) highly effective gold lixiviantcan be composed of butanedionedioxime (BDM) with many oxidants, especially potassium permanganate; 2)in the leaching system of BD M- K M nO4 the suitable Ox/Lig(ratio of oxidants to gold ligands) tange is 0.20 ~ 0. 50, optimally 0.25 ~0.45 at the pH range of 7 ~ 11; 3) BDM-KMnO4 extraction of gold from an oxide ore is similar to cyanide(cyanide-O2)extraction, but the leaching rate of gold by BDM-KMnO4 is faster than that by cyanide-O2; 4) gold may readily be recov-ered by carbon adsorption and zinc precipitation

  19. Mechanics, thermodynamics, and kinetics of ligand binding to biopolymers.

    Science.gov (United States)

    Jarillo, Javier; Morín, José A; Beltrán-Heredia, Elena; Villaluenga, Juan P G; Ibarra, Borja; Cao, Francisco J

    2017-01-01

    Ligands binding to polymers regulate polymer functions by changing their physical and chemical properties. This ligand regulation plays a key role in many biological processes. We propose here a model to explain the mechanical, thermodynamic, and kinetic properties of the process of binding of small ligands to long biopolymers. These properties can now be measured at the single molecule level using force spectroscopy techniques. Our model performs an effective decomposition of the ligand-polymer system on its covered and uncovered regions, showing that the elastic properties of the ligand-polymer depend explicitly on the ligand coverage of the polymer (i.e., the fraction of the polymer covered by the ligand). The equilibrium coverage that minimizes the free energy of the ligand-polymer system is computed as a function of the applied force. We show how ligands tune the mechanical properties of a polymer, in particular its length and stiffness, in a force dependent manner. In addition, it is shown how ligand binding can be regulated applying mechanical tension on the polymer. Moreover, the binding kinetics study shows that, in the case where the ligand binds and organizes the polymer in different modes, the binding process can present transient shortening or lengthening of the polymer, caused by changes in the relative coverage by the different ligand modes. Our model will be useful to understand ligand-binding regulation of biological processes, such as the metabolism of nucleic acid. In particular, this model allows estimating the coverage fraction and the ligand mode characteristics from the force extension curves of a ligand-polymer system.

  20. Metal-ligand cooperative activation of nitriles by a ruthenium complex with a de-aromatized PNN pincer ligand

    NARCIS (Netherlands)

    Eijsink, Linda E; Perdriau, Sébastien C P; de Vries, Johannes G; Otten, Edwin

    2016-01-01

    The pincer complex (PNN)RuH(CO), with a de-aromatized pyridine in the ligand backbone, is shown to react with nitriles in a metal-ligand cooperative manner. This leads to the formation of a series of complexes with new Ru-N(nitrile) and C(ligand)-C(nitrile) bonds. The initial nitrile cycloaddition

  1. Metal-ligand cooperative activation of nitriles by a ruthenium complex with a de-aromatized PNN pincer ligand

    NARCIS (Netherlands)

    Eijsink, Linda E; Perdriau, Sébastien C P; de Vries, Johannes G; Otten, Edwin

    2016-01-01

    The pincer complex (PNN)RuH(CO), with a de-aromatized pyridine in the ligand backbone, is shown to react with nitriles in a metal-ligand cooperative manner. This leads to the formation of a series of complexes with new Ru-N(nitrile) and C(ligand)-C(nitrile) bonds. The initial nitrile cycloaddition p

  2. Protein-ligand binding affinity determination by the waterLOGSY method: An optimised approach considering ligand rebinding

    Science.gov (United States)

    Huang, Renjie; Bonnichon, Arnaud; Claridge, Timothy D. W.; Leung, Ivanhoe K. H.

    2017-03-01

    WaterLOGSY is a popular ligand-observed NMR technique to screen for protein-ligand interactions, yet when applied to measure dissociation constants (KD) through ligand titration, the results were found to be strongly dependent on sample conditions. Herein, we show that accurate KDs can be obtained by waterLOGSY with optimised experimental setup.

  3. Targeting Selectins and Their Ligands in Cancer

    Directory of Open Access Journals (Sweden)

    Alessandro eNatoni

    2016-04-01

    Full Text Available Aberrant glycosylation is a hallmark of cancer cells with increased evidence pointing to a role in tumor progression. In particular, aberrant sialylation of glycoproteins and glycolipids have been linked to increased immune cell evasion, drug evasion, drug resistance, tumor invasiveness, and vascular dissemination leading to metastases. Hypersialylation of cancer cells is largely the result of overexpression of sialyltransferases. Humans differentially express twenty different sialyltransferases in a tissue-specific manner, each of which catalyze the attachment of sialic acids via different glycosidic linkages (2-3; 2-6 or 2-8 to the underlying glycan chain. One important mechanism whereby overexpression of sialyltransferases contributes to an enhanced metastatic phenotype is via the generation of selectin ligands. Selectin ligand function requires the expression of sialyl-Lewis X and its structural-isomer sialyl-Lewis A, which are synthesized by the combined action of alpha 1-3-fucosyltransferases, 2-3-sialyltransferases, 1-4-galactosyltranferases, and N-acetyl--glucosaminyltransferases. The α2-3-sialyltransferases ST3Gal4 and ST3Gal6 are critical to the generation of functional E- and P-selectin ligands and overexpression of these sialyltransferases have been linked to increased risk of metastatic disease in solid tumors and poor outcome in multiple myeloma. Thus, targeting selectins and their ligands as well as the enzymes involved in their generation, in particular sialyltransferases, could be beneficial to many cancer patients. Potential strategies include sialyltransferase inhibition and the use of selectin antagonists, such as glycomimetic drugs and antibodies. Here, we review ongoing efforts to optimize the potency and selectivity of sialyltransferase inhibitors, including the potential for targeted delivery approaches, as well as evaluate the potential utility of selectin inhibitors, which are now in early clinical

  4. The ligands of CXCR4 in vascularization

    OpenAIRE

    Tuchscheerer, Nancy

    2012-01-01

    The formation of a functional and integrated vascular network is a basic process in the growth and maintenance of tissues and can be established by two forms of blood vessel growth in adults: angiogenesis and arteriogenesis. In this study, the ligands of the chemokine receptor CXCR4 and its role in angiogenesis (represented by the experimental myocardial infarction) and arteriogenesis (represented by the murine hind limb ischemia model) was investigated. The first approach identified the CXCL...

  5. Dockomatic - automated ligand creation and docking

    OpenAIRE

    Hampikian Greg; McDougal Owen M; Jacob Reed B; Bullock Casey W; Andersen Tim

    2010-01-01

    Abstract Background The application of computational modeling to rationally design drugs and characterize macro biomolecular receptors has proven increasingly useful due to the accessibility of computing clusters and clouds. AutoDock is a well-known and powerful software program used to model ligand to receptor binding interactions. In its current version, AutoDock requires significant amounts of user time to setup and run jobs, and collect results. This paper presents DockoMatic, a user frie...

  6. Selective oxoanion separation using a tripodal ligand

    Energy Technology Data Exchange (ETDEWEB)

    Custelcean, Radu; Moyer, Bruce A.; Rajbanshi, Arbin

    2016-02-16

    The present invention relates to urea-functionalized crystalline capsules self-assembled by sodium or potassium cation coordination and by hydrogen-bonding water bridges to selectively encapsulate tetrahedral divalent oxoanions from highly competitive aqueous alkaline solutions and methods using this system for selective anion separations from industrial solutions. The method involves competitive crystallizations using a tripodal tris(urea) functionalized ligand and, in particular, provides a viable approach to sulfate separation from nuclear wastes.

  7. galectin-3 ligand — EDRN Public Portal

    Science.gov (United States)

    Galectin-3 is an endogenous lectin that binds glycan epitopes of cell membrane and some extracellular glycoproteins such as integrins and laminin. Galectin-3 is involved in several biological activities including regulation of cellular cycle, modulation of adhesion and tumor progression and metastasis. Serum galectin-3 ligands have been shown to modulate the immune reaction against tumors and viruses and their level increases in sera of several neoplastic diseases.

  8. RAGE and its ligands in retinal disease.

    Science.gov (United States)

    Barile, Gaetano R; Schmidt, Ann M

    2007-12-01

    RAGE, the receptor for advanced glycation endproducts (AGEs), is a multiligand signal transduction receptor of the immunoglobulin superfamily of cell surface molecules that has been implicated in the pathogenesis of diabetic complications, neurodegenerative diseases, inflammatory disorders, and cancer. These diverse biologic disorders reflect the multiplicity of ligands capable of cellular interaction via RAGE that include, in addition to AGEs, amyloid-beta (Abeta) peptide, the S100/calgranulin family of proinflammatory cytokines, and amphoterin, a member of the High Mobility Group Box (HMGB) DNA-binding proteins. In the retina, RAGE expression is present in neural cells, the vasculature, and RPE cells, and it has also been detected in pathologic cellular retinal responses including epiretinal and neovascular membrane formation. Ligands for RAGE, in particular AGEs, have emerged as relevant to the pathogenesis of diabetic retinopathy and age-related macular disease. While the understanding of RAGE and its role in retinal dysfunction with aging, diabetes mellitus, and/or activation of pro-inflammatory pathways is less complete compared to other organ systems, increasing evidence indicates that RAGE can initiate and sustain significant cellular perturbations in the inner and outer retina. For these reasons, antagonism of RAGE interactions with its ligands may be a worthwhile therapeutic target in such seemingly disparate, visually threatening retinal diseases as diabetic retinopathy, age-related macular degeneration, and proliferative vitreoretinopathy.

  9. EGF receptor ligands: recent advances [version 1; referees: 3 approved

    Directory of Open Access Journals (Sweden)

    Bhuminder Singh

    2016-09-01

    Full Text Available Seven ligands bind to and activate the mammalian epidermal growth factor (EGF receptor (EGFR/ERBB1/HER1: EGF, transforming growth factor-alpha (TGFA, heparin-binding EGF-like growth factor (HBEGF, betacellulin (BTC, amphiregulin (AREG, epiregulin (EREG, and epigen (EPGN. Of these, EGF, TGFA, HBEGF, and BTC are thought to be high-affinity ligands, whereas AREG, EREG, and EPGN constitute low-affinity ligands. This focused review is meant to highlight recent studies related to actions of the individual EGFR ligands, the interesting biology that has been uncovered, and relevant advances related to ligand interactions with the EGFR.

  10. EXPRESSION OF Fas LIGAND IN HUMAN COLON CANCER CELL LINES

    Institute of Scientific and Technical Information of China (English)

    张建军; 丁尔迅; 王强; 陈学云; 付志仁

    2001-01-01

    To investigate the expression of Fas ligand in human colon carcinoma cell lines. Methods: A total of six human colon cancer cell lines were examined for the expression of Fas ligand mRNA and cell surface protein by using RT-PCR and flow cytometry respectively. Results: The results showed that Fas ligand mRNA was expressed in all of the six cancer cell lines and Fas ligand cell surface protein was expressed in part of them. Conclusion: These data suggest that Fas ligand was expressed, at least in part, in human colon cancer cell lines and might facilitate to escape from immune surveillance of the host.

  11. The Recognition of Identical Ligands by Unrelated Proteins.

    Science.gov (United States)

    Barelier, Sarah; Sterling, Teague; O'Meara, Matthew J; Shoichet, Brian K

    2015-12-18

    The binding of drugs and reagents to off-targets is well-known. Whereas many off-targets are related to the primary target by sequence and fold, many ligands bind to unrelated pairs of proteins, and these are harder to anticipate. If the binding site in the off-target can be related to that of the primary target, this challenge resolves into aligning the two pockets. However, other cases are possible: the ligand might interact with entirely different residues and environments in the off-target, or wholly different ligand atoms may be implicated in the two complexes. To investigate these scenarios at atomic resolution, the structures of 59 ligands in 116 complexes (62 pairs in total), where the protein pairs were unrelated by fold but bound an identical ligand, were examined. In almost half of the pairs, the ligand interacted with unrelated residues in the two proteins (29 pairs), and in 14 of the pairs wholly different ligand moieties were implicated in each complex. Even in those 19 pairs of complexes that presented similar environments to the ligand, ligand superposition rarely resulted in the overlap of related residues. There appears to be no single pattern-matching "code" for identifying binding sites in unrelated proteins that bind identical ligands, though modeling suggests that there might be a limited number of different patterns that suffice to recognize different ligand functional groups.

  12. Full-electron ligand-to-ligand charge transfer in a compact Re(I) complex.

    Science.gov (United States)

    Yue, Yuankai; Grusenmeyer, Tod; Ma, Zheng; Zhang, Peng; Schmehl, Russell H; Beratan, David N; Rubtsov, Igor V

    2014-11-13

    Ligand-to-ligand charge transfer (LLCT) states in transition metal complexes are often characterized by fractional electron transfer due to coupling of the LLCT state with many other states via the metal. We designed and characterized a compact Re(I) complex that displays essentially full-electron charge transfer in the LLCT excited state. The complex, [Re(DCEB)(CO)3(L)](+) (DCEB = 4,4'-dicarboxyethyl-2,2'-bipyridine), referred to as ReEBA, features two redox active ligands with strong electron accepting (DCEB) and electron donating (L is 3-dimethylaminobenzonitrile (3DMABN)) properties. The lowest energy excited state formed with a ca. 10 ps time constant and was characterized as the full-electron 3DMABN → DCEB LLCT state using time-resolved infrared spectroscopy (TRIR), transient absorption spectroscopy, and DFT computations. Analysis of a range of vibrational modes helped to assign the charge transfer characteristics of the complex. The LLCT state lifetime in ReEBA shows a strong dependence on the solvent polarity and features solvent dependent frequency shifts for several vibrational reporters. The formation of a full-electron LLCT state (∼92%) was enabled by tuning the redox properties of the electron accepting ligand (DCEB) and simultaneously decoupling the redox active group of the electron donating ligand (3DMABN) from the metal center. This strategy is generally applicable for designing compact transition metal complexes that have full-electron LLCT states.

  13. Separation of tryptophan enantiomers by ligand-exchange chromatography with novel chiral ionic liquids ligand.

    Science.gov (United States)

    Qing, Haiqun; Jiang, Xinyu; Yu, Jingang

    2014-03-01

    Chiral ionic liquids (CILs) with amino acids as cations have been applied as novel chiral ligands coordinated with Cu(2+) to separate tryptophan enantiomers in ligand exchange chromatography. Four kinds of amino acid ionic liquids, including [L-Pro][CF3COO], [L-Pro][NO3], [L-Pro]2[SO4], and [L-Phe][CF3COO] were successfully synthesized and used for separation of tryptophan enantiomers. To optimize the separation conditions, [L-Pro][CF3COO] was selected as the model ligand. Some factors influencing the efficiency of chiral separation, such as copper ion concentration, CILs concentration, methanol ratio (methanol/H2O, v/v), and pH, were investigated. The obtained optimal separation conditions were as follows: 8.0 mmol/L Cu(OAc)2, 4.0 mmol/L [L-Pro][CF3COO], and 20% (v/v) methanol at pH 3.6. Under the optimum conditions, acceptable enantioseparation of tryptophan enantiomers could be observed with a resolution of 1.89. The results demonstrate the good applicability of CILs with amino acids as cations for chiral separation. Furthermore, a comparative study was also conducted for exploring the mechanism of the CILs as new ligands in ligand exchange chromatography. © 2014 Wiley Periodicals, Inc.

  14. Ligand-specific conformational changes in the alpha1 glycine receptor ligand-binding domain

    DEFF Research Database (Denmark)

    Pless, Stephan Alexander; Lynch, Joseph W

    2009-01-01

    indicate that channel opening is accompanied by conformational rearrangements in both beta-sheets. In an attempt to resolve ligand-dependent movements in the ligand-binding domain, we employed voltage-clamp fluorometry on alpha1 glycine receptors to compare changes mediated by the agonist, glycine......, and by the antagonist, strychnine. Voltage-clamp fluorometry involves labeling introduced cysteines with environmentally sensitive fluorophores and inferring structural rearrangements from ligand-induced fluorescence changes. In the inner beta-sheet, we labeled residues in loop 2 and in binding domain loops D and E....... At each position, strychnine and glycine induced distinct maximal fluorescence responses. The pre-M1 domain responded similarly; at each of four labeled positions glycine produced a strong fluorescence signal, whereas strychnine did not. This suggests that glycine induces conformational changes...

  15. Interaction of calreticulin with CD40 ligand, TRAIL and Fas ligand

    DEFF Research Database (Denmark)

    Duus, K; Pagh, R T; Holmskov, U;

    2007-01-01

    found to bind calreticulin strongly. A low level or no binding was observed for adiponectin, tumour necrosis factor-alpha (TNF-alpha), CD30L, surfactant protein-A and -D and collagen VIII. The interaction with calreticulin required a conformational change in CD40L, TRAIL and FasL and showed the same...... is utilized by many other functionally diverse molecules and in this work the interaction of calreticulin with C1q and structurally similar molecules was investigated. In addition to C1q and MBL, CD40 ligand (CD40L), tumour necrosis factor-related apoptosis-inducing ligand (TRAIL) and Fas ligand (FasL) were...... characteristics as calreticulin's interaction with C1q and MBL: a time-dependent saturable binding to immobilized protein, which was initially sensitive to salt but gradually developed into a salt-insensitive interaction. Thus, the interaction requires a structural change in the interaction partner and leads...

  16. Changes in lipids over twelve months after initiating protease inhibitor therapy among persons treated for HIV/AIDS

    Directory of Open Access Journals (Sweden)

    Hogg Robert S

    2005-02-01

    Full Text Available Abstract Background Protease inhibitors are known to alter the lipid profiles in subjects treated for HIV/AIDS. However, the magnitude of this effect on plasma lipoproteins and lipids has not been adequately quantified. Objective To estimate the changes in plasma lipoproteins and triglycerides occurring within 12 months of initiating PI-based antiretroviral therapy among HIV/AIDS afflicted subjects. Methods We included all antiretroviral naïve HIV-infected persons treated at St-Paul's Hospital, British Columbia, Canada, who initiated therapy with protease inhibitor antiretroviral (ARV drugs between August 1996 and January 2002 and who had at least one plasma lipid measurement. Longitudinal associations between medication use and plasma lipids were estimated using mixed effects models that accounted for repeated measures on the same subjects and were adjusted for age, sex, time dependent CD4+ T-cell count, and time dependent cumulative use of non-nucleoside reverse transcriptase inhibitors and adherence. The cumulative number of prescriptions filled for PIs was considered time dependent. We estimated the changes in the 12 months following any initiation of a PI based regimen. Results A total of 679 eligible subjects were dispensed nucleoside analogues and PI at the initiation of therapy. Over a median 47 months of follow-up (interquartile range (IQR: 29–62, subjects had a median of 3 (IQR: 1–6 blood lipid measurements. Twelve months after treatment initiation of PI use, there was an estimated 20% (95% confidence interval: 17% – 24% increase in total cholesterol and 22% (12% – 33% increase in triglycerides. Conclusions Twelve months after treatment initiation with PIs, statistically significant increases in total cholesterol and triglycerides levels were observed in HIV-infected patients under conditions of standard treatment. Our results contribute to the growing body of evidence implicating PIs in the development of blood lipid

  17. Evaluation of small ligand-protein interaction by ligation reaction with DNA-modified ligand.

    Science.gov (United States)

    Sugita, Rie; Mie, Masayasu; Funabashi, Hisakage; Kobatake, Eiry

    2010-01-01

    A method for the evaluation of interactions between protein and ligand using DNA-modified ligands, including signal enhancement of the DNA ligation reactions, is described. For proof of principle, a DNA probe modified by biotin was used. Two DNA probes were prepared with complementary sticky-ends. While one DNA probe was modified at the 5'-end of the sticky-end, the other was not modified. The probes could be ligated together by T4 DNA ligase along the strand without biotin modification. However, in the presence of streptavidin or anti-biotin Fab, the ligation reaction joining the two probes could not occur on either strand.

  18. Landscape of protein-small ligand binding modes.

    Science.gov (United States)

    Kasahara, Kota; Kinoshita, Kengo

    2016-09-01

    Elucidating the mechanisms of specific small-molecule (ligand) recognition by proteins is a long-standing conundrum. While the structures of these molecules, proteins and ligands, have been extensively studied, protein-ligand interactions, or binding modes, have not been comprehensively analyzed. Although methods for assessing similarities of binding site structures have been extensively developed, the methods for the computational treatment of binding modes have not been well established. Here, we developed a computational method for encoding the information about binding modes as graphs, and assessing their similarities. An all-against-all comparison of 20,040 protein-ligand complexes provided the landscape of the protein-ligand binding modes and its relationships with protein- and chemical spaces. While similar proteins in the same SCOP Family tend to bind relatively similar ligands with similar binding modes, the correlation between ligand and binding similarities was not very high (R(2)  = 0.443). We found many pairs with novel relationships, in which two evolutionally distant proteins recognize dissimilar ligands by similar binding modes (757,474 pairs out of 200,790,780 pairs were categorized into this relationship, in our dataset). In addition, there were an abundance of pairs of homologous proteins binding to similar ligands with different binding modes (68,217 pairs). Our results showed that many interesting relationships between protein-ligand complexes are still hidden in the structure database, and our new method for assessing binding mode similarities is effective to find them.

  19. Integrin receptors and ligand-gated channels.

    Science.gov (United States)

    Morini, Raffaella; Becchetti, Andrea

    2010-01-01

    Plastic expression of different integrin subunits controls the different stages of neural development, whereas in the adult integrins regulate synaptic stability. Evidence of integrin-channel crosstalk exists for ionotropic glutamate receptors. As is often the case in other tissues, integrin engagement regulates channel activity through complex signaling pathways that often include tyrosine phosphorylation cascades. The specific pathways recruited by integrin activation depend on cerebral region and cell type. In turn, ion channels control integrin expression onto the plasma membrane and their ligand binding affinity. The most extensive studies concern the hippocampus and suggest implications for neuronal circuit plasticity. The physiological relevance of these findings depends on whether adhesion molecules, aside from determining tissue stability, contribute to synaptogenesis and the responsiveness of mature synapses, thus contributing to long-term circuit consolidation. Little evidence is available for other ligand-gated channels, with the exception of nicotinic receptors. These exert a variety of functions in neurons and non neural tissue, both in development and in the adult, by regulating cell cycle, synaptogenesis and synaptic circuit refinement. Detailed studies in epidermal keratinocytes have shed some light on the possible mechanisms through which ACh can regulate cell motility, which may be of general relevance for morphogenetic processes. As to the control of mature synapses, most results concern the integrinic control of nicotinic receptors in the neuromuscular junction. Following this lead, a few studies have addressed similar topics in adult cerebral synapses. However, pursuing and interpreting these results in the brain is especially difficult because of the complexity of the nicotinic roles and the widespread contribution of nonsynaptic, paracrine transmission. From a pathological point of view, considering the well-known contribution of both

  20. 5S rDNA characterization in twelve Sciaenidae fish species (Teleostei, Perciformes: depicting gene diversity and molecular markers

    Directory of Open Access Journals (Sweden)

    Fernanda A. Alves-Costa

    2008-01-01

    Full Text Available In order to extend the genetic data on the Sciaenidae fish family, the present study had the purpose to characterize PCR-generated 5S rDNA repeats of twelve species of this group through PAGE (Polyacrylamide Gel Electrophoresis analysis. The results showed the occurrence of at least two different 5S rDNA size classes in all the species. Moreover, 5S rDNA repeats of one of the studied species - Isopisthus parvipinnis - were cloned and subjected to nucleotide sequencing and Southern blot membrane hybridization analyses, which permitted to confirm the existence of two major 5S rDNA classes. Phylogenetic analysis based on the nucleotide sequences of different 5S rDNA repeats of I. parvipinnis lead to their separation into two major clusters. These results may reflect the high dynamism that rules the evolution rate of 5S rDNA repeats. The obtained data suggest that 5S rDNA can be useful in genetic analyses to identify species-specific markers and determine relationships among species of the Sciaenidae group.

  1. Uptake of radionuclide thorium by twelve native plants grown in uranium mill tailings soils from south part of China

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Xun, E-mail: m13836295186@163.com

    2016-08-01

    Highlights: • Screen dominant plants grown in uranium mill tailings soils. • Quantify the content of {sup 232}Th of soil samples from uranium mill tailings. • Quantify the transfer factor, bioconcentration factor and phytoremediation factor. • Screen out the plant species capable of remediating radionuclide contaminated soils. • Guide the reuse of study area in future. - Abstract: The concentrations of thorium ({sup 232}Th) in soil from a uranium mill tailings repository in South China were analyzed. The results showed that all the soil samples were acidic and the concentrations of {sup 232}Th in all the soil samples were more than the natural radionuclide content in soil of China. Through the field investigation, twelve kinds of dominant plants were discovered. The total quantity of {sup 232}Th in the whole plant is highest in rice flat sedge. We also found that Miscanthus floridulus has the greatest transfer factor (TF) for {sup 232}Th, rice flat sedge has the greatest bioconcentration factor (BF) for {sup 232}Th. At the mean time, M. floridulus has the greatest phytoremediation factor (PF) for {sup 232}Th. On the basis of the above conclusions and the definition for hyperaccumulator, rice flat sedge and M. floridulus could be the candidates of phytoremediation for radionuclide {sup 232}Th in the soil.

  2. Videofluoroscopy of the oral phase of swallowing in eight to twelve years old children with dental malocclusion.

    Science.gov (United States)

    Junqueira, Patricia; Costa, Milton Melciades

    2013-11-01

    The objective of this study was to describe the oral phase of swallowing in individuals with dental malocclusion and to generate data that would contribute to the rehabilitation of those patients. The study was based on the evaluation of the swallowing system through videofluoroscopy on thirty-four children of both genders, aged eight to twelve years old who present with Angle Class II and III dental malocclusions. Thirteen children of similar age and gender presenting normal dental occlusion formed the control group. The results indicated that the oral phase of swallowing is different between individuals with normal occlusion and malocclusion. Dental occlusion types Angle Class II and III did not present a swallowing pattern, independently of the amount of liquid ingested. The swallowing appeared effective in the oral phase of individuals with dental malocclusion, even though adaptations were identified. The outcome, in the absence of a single pattern and the efficiency of the adapted swallowing demonstrates, first a need for additional research investigating orofacial myofunctional treatment for patients with malocclusion and second how such analyses should focus on contributing positively to the rehabilitation of these patients.

  3. Advanced LIGO Two-Stage Twelve-Axis Vibration Isolation and Positioning Platform. Part 2: Experimental Investigation and Tests Results

    CERN Document Server

    Matichard, Fabrice; Mason, Kenneth; Mittleman, Richard; Abbott, Benjamin; Abbott, Samuel; Allwine, Eric; Barnum, Samuel; Birch, Jeremy; Biscans, Sebastien; Clark, Daniel; Coyne, Dennis; DeBra, Dan; DeRosa, Ryan; Foley, Stephany; Fritschel, Peter; Giaime, Joseph A; Gray, Corey; Grabeel, Gregory; Hanson, Joe; Hillard, Michael; Kissel, Jeffrey; Kucharczyk, Christopher; Roux, Adrien Le; Lhuillier, Vincent; Macinnis, Myron; OReilly, Brian; Ottaway, David; Paris, Hugo; Puma, Michael; Radkins, Hugh; Ramet, Celine; Robinson, Mitchell; Ruet, Laurent; Sareen, Pradeep; Shoemaker, Daivid; Stein, Andy; Thomas, Jeremy; Vargas, Michael; Warner, Jimmy

    2014-01-01

    This paper presents the results of the past seven years of experimental investigation and testing done on the two-stage twelve-axis vibration isolation platform for Advanced LIGO gravity waves observatories. This five-ton two-and-half-meter wide system supports more than a 1000 kg of very sensitive equipment. It provides positioning capability and seismic isolation in all directions of translation and rotation. To meet the very stringent requirements of Advanced LIGO, the system must provide more than three orders of magnitude of isolation over a very large bandwidth. It must bring the motion below 10^(-11) m/(Hz)^0.5 at 1 Hz and 10^(-12) m/(Hz)^0.5 at 10 Hz. A prototype of this system has been built in 2006. It has been extensively tested and analyzed during the following two years. This paper shows how the experimental results obtained with the prototype were used to engineer the final design. It highlights how the engineering solutions implemented not only improved the isolation performance but also greatl...

  4. Twelve-month safety and efficacy of inhaled fluticasone propionate in children aged 1 to 3 years with recurrent wheezing

    DEFF Research Database (Denmark)

    Bisgaard, Hans; Allen, David; Milanowski, Janusz;

    2004-01-01

    : There was no significant difference in mean adjusted growth rates between the 2 groups: 84.0 mm/year in the FP group versus 86.4 mm/year in the SCG group (difference FP-SCG: -2.4 mm/year; 95% confidence interval: -6.6 to 1.8). Growth comparisons were independent of age, gender, previous use of steroid, or whether measured......, exacerbations, and requirements for oral steroid treatment and more symptom-free days and days without use of rescue treatment. CONCLUSIONS: Twelve months of treatment with inhaled FP (100 microg twice daily) in preschool children aged 1 to 3 years with recurrent wheeze has no effect on growth and no other......OBJECTIVE: Our aim was to compare the 12-month safety and efficacy of fluticasone propionate (FP) and sodium cromoglycate (SCG) in children aged 1 to 3 years with mild to moderate recurrent wheeze. METHODS: The study was a randomized, parallel-group, open-label multicenter study of 625 children...

  5. A First Assessment of Mycobacterium tuberculosis Genetic Diversity and Drug-Resistance Patterns in Twelve Caribbean Territories

    Directory of Open Access Journals (Sweden)

    Julie Millet

    2014-01-01

    Full Text Available With the exception of some French-speaking islands, data on tuberculosis (TB in the Caribbean are scarce. In this study, we report a first assessment of genetic diversity of a convenience sample of Mycobacterium tuberculosis strains received from twelve Caribbean territories by spoligotyping and describe their drug-resistance patterns. Of the 480 isolates, 40 (8.3% isolates showed resistance to at least one anti-TB drug. The proportion of drug-resistant strains was significantly higher in The Bahamas (21.4%; P=0.02, and Guyana (27.5%; P<0.0001, while it was significantly lower in Jamaica (2.4%; P=0.03 than in other countries of the present study. Regarding genetic diversity, 104 distinct spoligotype patterns were observed: 49 corresponded to clustered strains (2 to 93 strains per cluster, while 55 remained unclustered among which 16 patterns were not reported previously. Combining the study results with regional data retrieved from the international SITVIT2 database underlined a connection between frequency of certain M. tuberculosis phylogenetic lineages and the language spoken, suggesting historical (colonial and ongoing links (trade, tourism, and migratory flows with European countries with which they shared a common past.

  6. Measuring performance in off-patent drug markets: a methodological framework and empirical evidence from twelve EU Member States.

    Science.gov (United States)

    Kanavos, Panos

    2014-11-01

    This paper develops a methodological framework to help evaluate the performance of generic pharmaceutical policies post-patent expiry or after loss of exclusivity in non-tendering settings, comprising five indicators (generic availability, time delay to and speed of generic entry, number of generic competitors, price developments, and generic volume share evolution) and proposes a series of metrics to evaluate performance. The paper subsequently tests this framework across twelve EU Member States (MS) by using IMS data on 101 patent expired molecules over the 1998-2010 period. Results indicate that significant variation exists in generic market entry, price competition and generic penetration across the study countries. Size of a geographical market is not a predictor of generic market entry intensity or price decline. Regardless of geographic or product market size, many off patent molecules lack generic competitors two years after loss of exclusivity. The ranges in each of the five proposed indicators suggest, first, that there are numerous factors--including institutional ones--contributing to the success of generic entry, price decline and market penetration and, second, MS should seek a combination of supply and demand-side policies in order to maximise cost-savings from generics. Overall, there seems to be considerable potential for faster generic entry, uptake and greater generic competition, particularly for molecules at the lower end of the market.

  7. Chemical Abundances in Twelve Red Giants of the Large Magellanic Cloud from High-Resolution Infrared Spectroscopy

    CERN Document Server

    Smith, V V; Cunha, K; Plez, B; Lambert, D L; Pilachowski, C A; Barbuy, B; Melendez, J; Balachandran, S C; Bessell, M S; Geisler, D; Hesser, J E; Winge, C

    2002-01-01

    High-resolution infrared spectra (R=50,000) have been obtained for twelve red-giant members of the LMC with the Gemini South 8.3-meter telescope plus Phoenix spectrometer. Quantitative chemical abundances of carbon-12, carbon-13, nitrogen-14, and oxygen-16 were derived from molecular lines of CO, CN, and OH, while sodium, scandium, titanium, and iron abundances were derived from neutral atomic lines. The LMC giants have masses from about 1 to 4 solar masses and span a metallicity range from [Fe/H]= -1.1 to -0.3. The program red giants all show evidence of first dredge-up mixing, with low 12C/13C ratios, and low 12C correlated with high 14N abundances. Comparisons of the oxygen-to-iron ratios in the LMC and the Galaxy indicate that the trend of [O/Fe] versus [Fe/H] in the LMC falls about 0.2 dex below the Galactic trend. Such an offset can be modeled as due to an overall lower rate of supernovae per unit mass in the LMC relative to the Galaxy, as well as a slightly lower ratio of supernovae of type II to super...

  8. Polydentate cyclotriphosphazene ligands: Design, synthesis and bioactivity

    Institute of Scientific and Technical Information of China (English)

    Le Wang; Yong Ye; Shang Bin Zhong; Yu Fen Zhao

    2009-01-01

    Five multinuelear cyclotriphosphazene ligands were synthesized and tested for their cleavage activities to plasmid DNA. All of these new compounds were confirmed by MS, 1H NMR, 31p NMR, 13C NMR and IR. Preliminary studies on the cleavage of pUC19 DNA in the presence of metal complexes were performed. The results revealed that these complexes could act as powerful catalysts under physiological conditions. The complexes 3b + Cu can effectively cleave DNA to nicked form, giving hydrolysis rate constant of 0.08/h under physiological conditions. An acid-base catalyzed DNA phosphate-diester hydrolysis mechanism was also proposed.

  9. Thermal melting studies of ligand DNA interactions.

    Science.gov (United States)

    Guédin, Aurore; Lacroix, Laurent; Mergny, Jean-Louis

    2010-01-01

    A simple thermal melting experiment may be used to demonstrate the stabilization of a given structure by a ligand (usually a small molecule, sometimes a peptide). Preparation of the sample is straightforward, and the experiment itself requires an inexpensive apparatus. Furthermore, reasonably low amounts of sample are required. A qualitative analysis of the data is simple: An increase in the melting temperature (T(m)) indicates preferential binding to the folded form as compared to the unfolded form. However, it is perilous to derive an affinity constant from an increase in T(m) as other factors play a role.

  10. Computer-aided design of GPCR ligands.

    Science.gov (United States)

    Gutiérrez-de-Terán, Hugo; Keränen, Henrik; Azuaje, Jhonny; Rodríguez, David; Åqvist, Johan; Sotelo, Eddy

    2015-01-01

    The recent availability of several GPCR crystal structures now contributes decisively to the perspective of structure-based ligand design. In this context, computational approaches are extremely helpful, particularly if properly integrated in drug design projects with cooperation between computational and medicinal chemistry teams. Here, we present the pipelines used in one such project, devoted to the design of novel potent and selective antagonists for the different adenosine receptors. The details of the computational strategies are described, and particular attention is given to explain how these procedures can effectively guide the synthesis of novel chemical entities.

  11. Research and implementation on cow management information service platform based on PDA%基于PDA奶牛管理信息服务平台的研究与实现

    Institute of Scientific and Technical Information of China (English)

    魏晓莉; 戚国强; 沈维政; 秦续言

    2012-01-01

    Dairy management information service platform based on PDA is constructed by embedded technology and artificial intelligence. The platform not only achieve dairy performance management,dairy feeding management and other basic data acquisition and information retrieval, but also can estimate the inbreeding coefficient by using the path theory, the system can avoid dairy inbreeding and reach the scientific Heredity improvement.%利用嵌入式方法和人工智能技术设计实现基于PDA的奶牛管理信息服务平台.该平台不仅能实现奶牛生产性能管理、良种繁育等基本数据采集与信息检索,还可以根据通径理论对奶牛近交系数进行估算,对近交系数最小、预增产奶量最高的种公牛进行评估预测,从而达到防止奶牛群体近交,实现优良繁育的目的.

  12. Separation, characterization, and quantitation of process-related substances of the anti-hypertensive drug doxazosin mesylate by reversed-phase LC with PDA and ESI-MS as detectors.

    Science.gov (United States)

    Nageswara Rao, R; Nagaraju, D; Das, A K; Jena, Nivedita

    2007-02-01

    A simple and rapid reversed-phase liquid chromatography (LC) method with photodiode array (PDA) and electrospray ionization (ESI)-mass spectrometry (MS) as detectors was developed and validated to separate, identify, and quantitate the related substances of Doxazosin mesylate (DXZN) for monitoring the reactions involved during process development. The high-performance liquid chromatography profiles of related-substances of DXZN are used as fingerprints to follow the procedures used in the manufacturing units. The separation is accomplished on an Inertsil ODS-3 column with acetonitrile-ammonium acetate (10 mM, pH 4.0) as the mobile phase, using a gradient elution mode and monitoring the eluents by a photodiode array detector at 265 nm at ambient temperature. LC-ESI-MS-MS is used to identify the additional impurities formed during the synthesis. The identified impurities were synthesized and characterized by UV, Fourier transform-IR, 1H NMR, and MS data. The detection limits for the impurities are 0.74 - 4.14 x 10(-9) g, and the method is found to be suitable not only for the monitoring of synthetic reactions, but also for quality assurance of DXZN in bulk drugs and formulations.

  13. The autoxidation activity of new mixed-ligand manganese and iron complexes with tripodal ligands

    NARCIS (Netherlands)

    van Gorkum, R.; Berding, J.; Tooke, D.M.; Spek, A.L.; Reedijk, J.; Bouwman, E.

    2007-01-01

    The activity of new manganese and iron complexes of dianionic tripodal ligands in the autoxidation of ethyl linoleate (EL) is reported. EL consumption rates were monitored using time-resolved FTIR and the degree of oligomerisation was determined by SEC. Almost all complexes showed the same trend in

  14. Ligand binding by the tandem glycine riboswitch depends on aptamer dimerization but not double ligand occupancy.

    Science.gov (United States)

    Ruff, Karen M; Strobel, Scott A

    2014-11-01

    The glycine riboswitch predominantly exists as a tandem structure, with two adjacent, homologous ligand-binding domains (aptamers), followed by a single expression platform. The recent identification of a leader helix, the inclusion of which eliminates cooperativity between the aptamers, has reopened the debate over the purpose of the tandem structure of the glycine riboswitch. An equilibrium dialysis-based assay was combined with binding-site mutations to monitor glycine binding in each ligand-binding site independently to understand the role of each aptamer in glycine binding and riboswitch tertiary interactions. A series of mutations disrupting the dimer interface was used to probe how dimerization impacts ligand binding by the tandem glycine riboswitch. While the wild-type tandem riboswitch binds two glycine equivalents, one for each aptamer, both individual aptamers are capable of binding glycine when the other aptamer is unoccupied. Intriguingly, glycine binding by aptamer-1 is more sensitive to dimerization than glycine binding by aptamer-2 in the context of the tandem riboswitch. However, monomeric aptamer-2 shows dramatically weakened glycine-binding affinity. In addition, dimerization of the two aptamers in trans is dependent on glycine binding in at least one aptamer. We propose a revised model for tandem riboswitch function that is consistent with these results, wherein ligand binding in aptamer-1 is linked to aptamer dimerization and stabilizes the P1 stem of aptamer-2, which controls the expression platform.

  15. SuperLigands – a database of ligand structures derived from the Protein Data Bank

    Directory of Open Access Journals (Sweden)

    Preissner Robert

    2005-05-01

    Full Text Available Abstract Background Currently, the PDB contains approximately 29,000 protein structures comprising over 70,000 experimentally determined three-dimensional structures of over 5,000 different low molecular weight compounds. Information about these PDB ligands can be very helpful in the field of molecular modelling and prediction, particularly for the prediction of protein binding sites and function. Description Here we present an Internet accessible database delivering PDB ligands in the MDL Mol file format which, in contrast to the PDB format, includes information about bond types. Structural similarity of the compounds can be detected by calculation of Tanimoto coefficients and by three-dimensional superposition. Topological similarity of PDB ligands to known drugs can be assessed via Tanimoto coefficients. Conclusion SuperLigands supplements the set of existing resources of information about small molecules bound to PDB structures. Allowing for three-dimensional comparison of the compounds as a novel feature, this database represents a valuable means of analysis and prediction in the field of biological and medical research.

  16. SuperLigands – a database of ligand structures derived from the Protein Data Bank

    Science.gov (United States)

    Michalsky, Elke; Dunkel, Mathias; Goede, Andrean; Preissner, Robert

    2005-01-01

    Background Currently, the PDB contains approximately 29,000 protein structures comprising over 70,000 experimentally determined three-dimensional structures of over 5,000 different low molecular weight compounds. Information about these PDB ligands can be very helpful in the field of molecular modelling and prediction, particularly for the prediction of protein binding sites and function. Description Here we present an Internet accessible database delivering PDB ligands in the MDL Mol file format which, in contrast to the PDB format, includes information about bond types. Structural similarity of the compounds can be detected by calculation of Tanimoto coefficients and by three-dimensional superposition. Topological similarity of PDB ligands to known drugs can be assessed via Tanimoto coefficients. Conclusion SuperLigands supplements the set of existing resources of information about small molecules bound to PDB structures. Allowing for three-dimensional comparison of the compounds as a novel feature, this database represents a valuable means of analysis and prediction in the field of biological and medical research. PMID:15943884

  17. LASSO-ligand activity by surface similarity order: a new tool for ligand based virtual screening.

    Science.gov (United States)

    Reid, Darryl; Sadjad, Bashir S; Zsoldos, Zsolt; Simon, Aniko

    2008-01-01

    Virtual Ligand Screening (VLS) has become an integral part of the drug discovery process for many pharmaceutical companies. Ligand similarity searches provide a very powerful method of screening large databases of ligands to identify possible hits. If these hits belong to new chemotypes the method is deemed even more successful. eHiTS LASSO uses a new interacting surface point types (ISPT) molecular descriptor that is generated from the 3D structure of the ligand, but unlike most 3D descriptors it is conformation independent. Combined with a neural network machine learning technique, LASSO screens molecular databases at an ultra fast speed of 1 million structures in under 1 min on a standard PC. The results obtained from eHiTS LASSO trained on relatively small training sets of just 2, 4 or 8 actives are presented using the diverse directory of useful decoys (DUD) dataset. It is shown that over a wide range of receptor families, eHiTS LASSO is consistently able to enrich screened databases and provides scaffold hopping ability.

  18. Increased accuracy of ligand sensing by receptor internalization

    CERN Document Server

    Aquino, Gerardo

    2010-01-01

    Many types of cells can sense external ligand concentrations with cell-surface receptors at extremely high accuracy. Interestingly, ligand-bound receptors are often internalized, a process also known as receptor-mediated endocytosis. While internalization is involved in a vast number of important functions for the life of a cell, it was recently also suggested to increase the accuracy of sensing ligand as the overcounting of the same ligand molecules is reduced. Here we show, by extending simple ligand-receptor models to out-of-equilibrium thermodynamics, that internalization increases the accuracy with which cells can measure ligand concentrations in the external environment. Comparison with experimental rates of real receptors demonstrates that our model has indeed biological significance.

  19. Predicting Nanocrystal Shape through Consideration of Surface-Ligand Interactions

    KAUST Repository

    Bealing, Clive R.

    2012-03-27

    Density functional calculations for the binding energy of oleic acid-based ligands on Pb-rich {100} and {111} facets of PbSe nanocrystals determine the surface energies as a function of ligand coverage. Oleic acid is expected to bind to the nanocrystal surface in the form of lead oleate. The Wulff construction predicts the thermodynamic equilibrium shape of the PbSe nanocrystals. The equilibrium shape is a function of the ligand surface coverage, which can be controlled by changing the concentration of oleic acid during synthesis. The different binding energy of the ligand on the {100} and {111} facets results in different equilibrium ligand coverages on the facets, and a transition in the equilibrium shape from octahedral to cubic is predicted when increasing the ligand concentration during synthesis. © 2012 American Chemical Society.

  20. Ligands of Therapeutic Utility for the Liver X Receptors

    Directory of Open Access Journals (Sweden)

    Rajesh Komati

    2017-01-01

    Full Text Available Liver X receptors (LXRs have been increasingly recognized as a potential therapeutic target to treat pathological conditions ranging from vascular and metabolic diseases, neurological degeneration, to cancers that are driven by lipid metabolism. Amidst intensifying efforts to discover ligands that act through LXRs to achieve the sought-after pharmacological outcomes, several lead compounds are already being tested in clinical trials for a variety of disease interventions. While more potent and selective LXR ligands continue to emerge from screening of small molecule libraries, rational design, and empirical medicinal chemistry approaches, challenges remain in minimizing undesirable effects of LXR activation on lipid metabolism. This review provides a summary of known endogenous, naturally occurring, and synthetic ligands. The review also offers considerations from a molecular modeling perspective with which to design more specific LXRβ ligands based on the interaction energies of ligands and the important amino acid residues in the LXRβ ligand binding domain.

  1. Singular Value Decomposition and Ligand Binding Analysis

    Directory of Open Access Journals (Sweden)

    André Luiz Galo

    2013-01-01

    Full Text Available Singular values decomposition (SVD is one of the most important computations in linear algebra because of its vast application for data analysis. It is particularly useful for resolving problems involving least-squares minimization, the determination of matrix rank, and the solution of certain problems involving Euclidean norms. Such problems arise in the spectral analysis of ligand binding to macromolecule. Here, we present a spectral data analysis method using SVD (SVD analysis and nonlinear fitting to determine the binding characteristics of intercalating drugs to DNA. This methodology reduces noise and identifies distinct spectral species similar to traditional principal component analysis as well as fitting nonlinear binding parameters. We applied SVD analysis to investigate the interaction of actinomycin D and daunomycin with native DNA. This methodology does not require prior knowledge of ligand molar extinction coefficients (free and bound, which potentially limits binding analysis. Data are acquired simply by reconstructing the experimental data and by adjusting the product of deconvoluted matrices and the matrix of model coefficients determined by the Scatchard and McGee and von Hippel equation.

  2. Do organic ligands affect calcite dissolution rates?

    Science.gov (United States)

    Oelkers, Eric H.; Golubev, Sergey V.; Pokrovsky, Oleg S.; Bénézeth, Pascale

    2011-04-01

    Steady state Iceland-spar calcite dissolution rates were measured at 25 °C in aqueous solutions containing 0.1 M NaCl and up to 0.05 M dissolved bicarbonate at pH from 7.9 to 9.1 in the presence of 13 distinct dissolved organic ligands in mixed-flow reactors. The organic ligands considered in this study include those most likely to be present in either (1) aquifers at the conditions pertinent to CO 2 sequestration or (2) soil/early diagenetic environments: acetate, phthalate, citrate, EDTA 4-, succinate, D-glucosaminate, L-glutamate, D-gluconate, 2,4-dihydroxybenzoate, 3,4-dihydroxybenzoate, fumarate, malonate, and gallate. Results show that the presence of extract, humic acid, pectin, and gum xanthan. In no case did the presence of <100 ppm of these organics change calcite dissolution rates by more than a factor of 2.5. Results obtained in this study suggest that the presence of aqueous organic anions negligibly affects calcite forward dissolution rates in most natural environments. Some effect on calcite reactivity may be observed, however, by the presence of organic anions if they change substantially the chemical affinity of the fluid with respect to calcite.

  3. Continuous microfluidic assortment of interactive ligands (CMAIL)

    Science.gov (United States)

    Hsiao, Yi-Hsing; Huang, Chao-Yang; Hu, Chih-Yung; Wu, Yen-Yu; Wu, Chung-Hsiun; Hsu, Chia-Hsien; Chen, Chihchen

    2016-08-01

    Finding an interactive ligand-receptor pair is crucial to many applications, including the development of monoclonal antibodies. Biopanning, a commonly used technique for affinity screening, involves a series of washing steps and is lengthy and tedious. Here we present an approach termed continuous microfluidic assortment of interactive ligands, or CMAIL, for the screening and sorting of antigen-binding single-chain variable antibody fragments (scFv) displayed on bacteriophages (phages). Phages carrying native negative charges on their coat proteins were electrophoresed through a hydrogel matrix functionalized with target antigens under two alternating orthogonal electric fields. During the weak horizontal electric field phase, phages were differentially swept laterally depending on their affinity for the antigen, and all phages were electrophoresed down to be collected during the strong vertical electric field phase. Phages of different affinity were spatially separated, allowing the continuous operation. More than 105 CFU (colony forming unit) antigen-interacting phages were isolated with ~100% specificity from a phage library containing 3 × 109 individual members within 40 minutes of sorting using CMAIL. CMAIL is rapid, sensitive, specific, and does not employ washing, elution or magnetic beads. In conclusion, we have developed an efficient and cost-effective method for isolating and sorting affinity reagents involving phage display.

  4. Quantifying Rosette Formation Mediated by Receptor-ligand Interactions

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    1 IntroductionRosetting is a simple assay for specific cell-cell adhesion, in which receptor- (or ligand-) coated RBCs form the rosettes with ligand- (or receptor-) expressed nucleated cells~([1]). Although routinely used by immunologists to examine the functionality of the interacting receptors and ligands, however, it has not been regarded as a quantitative method, as the measured rosette fraction has not been quantitatively related to the underlying molecular properties.Recently, we have solved probabili...

  5. PDA and Total Station Data Communications Based on Windows Moble 6.5 Embedded Platform%基于Windows Moble6.5嵌入式平台的PDA和智能全站仪数据通讯实现

    Institute of Scientific and Technical Information of China (English)

    宁晓军; 岳昊; 李响

    2011-01-01

    On the basis of study of a new generation of Microsoft intelligent embedded platforms Windows Mobile 6.5,aiming at the characteristics of PDA and intelligent total station joint operation technique,with Visual studio 2008 development platform,using multithreading technology,this paper realized the two-way communication between PDA and intelligent total station.%在对微软新一代智能嵌入式平台Windows Mobile 6.5研究的基础上,针对目前广泛采用的PDA与智能全站仪联合作业技术特点,以Visual studio 2008为开发平台,采用多线程技术,实现了PDA与智能全站仪的双向通讯。

  6. Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).

    Science.gov (United States)

    Oloff, Scott; Zhang, Shuxing; Sukumar, Nagamani; Breneman, Curt; Tropsha, Alexander

    2006-01-01

    We have developed a novel structure-based chemoinformatics approach to search for Complimentary Ligands Based on Receptor Information (CoLiBRI). CoLiBRI is based on the representation of both receptor binding sites and their respective ligands in a space of universal chemical descriptors. The binding site atoms involved in the interaction with ligands are identified by the means of a computational geometry technique known as Delaunay tessellation as applied to X-ray characterized ligand-receptor complexes. TAE/RECON multiple chemical descriptors are calculated independently for each ligand as well as for its active site atoms. The representation of both ligands and active sites using chemical descriptors allows the application of well-known chemometric techniques in order to correlate chemical similarities between active sites and their respective ligands. We have established a protocol to map patterns of nearest neighbor active site vectors in a multidimensional TAE/RECON space onto those of their complementary ligands and vice versa. This protocol affords the prediction of a virtual complementary ligand vector in the ligand chemical space from the position of a known active site vector. This prediction is followed by chemical similarity calculations between this virtual ligand vector and those calculated for molecules in a chemical database to identify real compounds most similar to the virtual ligand. Consequently, the knowledge of the receptor active site structure affords straightforward and efficient identification of its complementary ligands in large databases of chemical compounds using rapid chemical similarity searches. Conversely, starting from the ligand chemical structure, one may identify possible complementary receptor cavities as well. We have applied the CoLiBRI approach to a data set of 800 X-ray characterized ligand-receptor complexes in the PDBbind database. Using a k nearest neighbor (kNN) pattern recognition approach and variable selection

  7. 12 Daghem: Beskrivning av uppfostringsklimat och sociala relationer (Twelve Day Care Centers: A Multisite Comparison of Day-Care Climate and Social Relations).

    Science.gov (United States)

    Ekholm, Bodil; Hedin, Anna

    Twelve day care centers in a Swedish commune were systematically observed. Centers were selected on the basis of responses to a questionnaire on attitudes about upbringing which was answered by all the personnel at the 104 day care centers in the commune. Four of the selected centers represented a so-called "present-focused" upbringing…

  8. Riboswitch Structure: an Internal Residue Mimicking the Purine Ligand

    Energy Technology Data Exchange (ETDEWEB)

    Delfosse, V.; Bouchard, P; Bonneau, E; Dagenais, P; Lemay, J; Lafontaine, D; Legault, P

    2009-01-01

    The adenine and guanine riboswitches regulate gene expression in response to their purine ligand. X-ray structures of the aptamer moiety of these riboswitches are characterized by a compact fold in which the ligand forms a Watson-Crick base pair with residue 65. Phylogenetic analyses revealed a strict restriction at position 39 of the aptamer that prevents the G39-C65 and A39-U65 combinations, and mutational studies indicate that aptamers with these sequence combinations are impaired for ligand binding. In order to investigate the rationale for sequence conservation at residue 39, structural characterization of the U65C mutant from Bacillus subtilis pbuE adenine riboswitch aptamer was undertaken. NMR spectroscopy and X-ray crystallography studies demonstrate that the U65C mutant adopts a compact ligand-free structure, in which G39 occupies the ligand-binding site of purine riboswitch aptamers. These studies present a remarkable example of a mutant RNA aptamer that adopts a native-like fold by means of ligand mimicking and explain why this mutant is impaired for ligand binding. Furthermore, this work provides a specific insight into how the natural sequence has evolved through selection of nucleotide identities that contribute to formation of the ligand-bound state, but ensures that the ligand-free state remains in an active conformation.

  9. Competitive antagonism of AMPA receptors by ligands of different classes

    DEFF Research Database (Denmark)

    Hogner, Anders; Greenwood, Jeremy R; Liljefors, Tommy

    2003-01-01

    that ATPO and DNQX stabilize an open form of the ligand-binding core by different sets of interactions. Computational techniques are used to quantify the differences between these two ligands and to map the binding site. The isoxazole moiety of ATPO acts primarily as a spacer, and other scaffolds could......-(phosphonomethoxy)-4-isoxazolyl]propionic acid (ATPO) in complex with the ligand-binding core of the receptor. Comparison with the only previous structure of the ligand-binding core in complex with an antagonist, 6,7-dinitro-2,3-quinoxalinedione (DNQX) (Armstrong, N.; Gouaux, E. Neuron 2000, 28, 165-181), reveals...

  10. Design of targeting ligands in medicinal inorganic chemistry.

    Science.gov (United States)

    Storr, Tim; Thompson, Katherine H; Orvig, Chris

    2006-06-01

    This tutorial review will highlight recent advances in medicinal inorganic chemistry pertaining to the use of multifunctional ligands for enhanced effect. Ligands that adequately bind metal ions and also include specific targeting features are gaining in popularity due to their ability to enhance the efficacy of less complicated metal-based agents. Moving beyond the traditional view of ligands modifying reactivity, stabilizing specific oxidation states, and contributing to substitution inertness, we will discuss recent work involving metal complexes with multifunctional ligands that target specific tissues, membrane receptors, or endogenous molecules, including enzymes.

  11. Structural basis for ligand recognition of incretin receptors

    DEFF Research Database (Denmark)

    Underwood, Christina Rye; Parthier, Christoph; Reedtz-Runge, Steffen

    2010-01-01

    been solved recently by X-ray crystallography. The crystal structures reveal a similar fold of the ECD and a similar mechanism of ligand binding, where the ligand adopts an α-helical conformation. Residues in the C-terminal part of the ligand interact directly with the ECD and hydrophobic interactions...... appear to be the main driving force for ligand binding to the ECD of incretin receptors. Obviously, the-still missing-structures of full-length incretin receptors are required to construct a complete picture of receptor function at the molecular level. However, the progress made recently in structural...

  12. Superior serum half life of albumin tagged TNF ligands

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, Nicole [Division of Molecular Internal Medicine, Department of Internal Medicine II, University Hospital Wuerzburg, Roentgenring 11, 97070 Wuerzburg (Germany); Schneider, Britta; Pfizenmaier, Klaus [Institute of Cell Biology and Immunology, University of Stuttgart, Allmandring 31, 70569 Stuttgart (Germany); Wajant, Harald, E-mail: harald.wajant@mail.uni-wuerzburg.de [Division of Molecular Internal Medicine, Department of Internal Medicine II, University Hospital Wuerzburg, Roentgenring 11, 97070 Wuerzburg (Germany)

    2010-06-11

    Due to their immune stimulating and apoptosis inducing properties, ligands of the TNF family attract increasing interest as therapeutic proteins. A general limitation of in vivo applications of recombinant soluble TNF ligands is their notoriously rapid clearance from circulation. To improve the serum half life of the TNF family members TNF, TWEAK and TRAIL, we genetically fused soluble variants of these molecules to human serum albumin (HSA). The serum albumin-TNF ligand fusion proteins were found to be of similar bioactivity as the corresponding HSA-less counterparts. Upon intravenous injection (i.v.), serum half life of HSA-TNF ligand fusion proteins, as determined by ELISA, was around 15 h as compared to approximately 1 h for all of the recombinant control TNF ligands without HSA domain. Moreover, serum samples collected 6 or 24 h after i.v. injection still contained high TNF ligand bioactivity, demonstrating that there is only limited degradation/inactivation of circulating HSA-TNF ligand fusion proteins in vivo. In a xenotransplantation model, significantly less of the HSA-TRAIL fusion protein compared to the respective control TRAIL protein was required to achieve inhibition of tumor growth indicating that the increased half life of HSA-TNF ligand fusion proteins translates into better therapeutic action in vivo. In conclusion, our data suggest that genetic fusion to serum albumin is a powerful and generally applicable mean to improve bioavailability and in vivo activity of TNF ligands.

  13. Ultrafast heme-ligand recombination in truncated hemoglobin HbO from Mycobacterium tuberculosis: A ligand cage

    Science.gov (United States)

    Jasaitis, Audrius; Ouellet, Hugues; Lambry, Jean-Christophe; Martin, Jean-Louis; Friedman, Joel M.; Guertin, Michel; Vos, Marten H.

    2012-03-01

    Truncated hemoglobin HbO from Mycobacterium tuberculosis displays very slow exchange of diatomic ligands with its environment. Using femtosecond spectroscopy, we show that upon photoexcitation, ligands rebind with unusual speed and efficiency. Only ˜1% O2 can escape from the heme pocket and less than 1% NO. Most remarkably, CO rebinding occurs for 95%, predominantly in 1.2 ns. The general CO rebinding properties are unexpectedly robust against changes in the interactions with close by aromatic residues Trp88 (G8) and Tyr36 (CD1). Molecular dynamics simulations of the CO complex suggest that interactions of the ligand with structural water molecules as well as its rotational freedom play a role in the high reactivity of the ligand and the heme. The slow exchange of ligands between heme and environment may result from a combination of hindered ligand access to the heme pocket by the network of distal aromatic residues, and low escape probability from the pocket.

  14. Twelve novel HGD gene variants identified in 99 alkaptonuria patients: focus on 'black bone disease' in Italy.

    Science.gov (United States)

    Nemethova, Martina; Radvanszky, Jan; Kadasi, Ludevit; Ascher, David B; Pires, Douglas E V; Blundell, Tom L; Porfirio, Berardino; Mannoni, Alessandro; Santucci, Annalisa; Milucci, Lia; Sestini, Silvia; Biolcati, Gianfranco; Sorge, Fiammetta; Aurizi, Caterina; Aquaron, Robert; Alsbou, Mohammed; Lourenço, Charles Marques; Ramadevi, Kanakasabapathi; Ranganath, Lakshminarayan R; Gallagher, James A; van Kan, Christa; Hall, Anthony K; Olsson, Birgitta; Sireau, Nicolas; Ayoob, Hana; Timmis, Oliver G; Sang, Kim-Hanh Le Quan; Genovese, Federica; Imrich, Richard; Rovensky, Jozef; Srinivasaraghavan, Rangan; Bharadwaj, Shruthi K; Spiegel, Ronen; Zatkova, Andrea

    2016-01-01

    Alkaptonuria (AKU) is an autosomal recessive disorder caused by mutations in homogentisate-1,2-dioxygenase (HGD) gene leading to the deficiency of HGD enzyme activity. The DevelopAKUre project is underway to test nitisinone as a specific treatment to counteract this derangement of the phenylalanine-tyrosine catabolic pathway. We analysed DNA of 40 AKU patients enrolled for SONIA1, the first study in DevelopAKUre, and of 59 other AKU patients sent to our laboratory for molecular diagnostics. We identified 12 novel DNA variants: one was identified in patients from Brazil (c.557T>A), Slovakia (c.500C>T) and France (c.440T>C), three in patients from India (c.469+6T>C, c.650-85A>G, c.158G>A), and six in patients from Italy (c.742A>G, c.614G>A, c.1057A>C, c.752G>A, c.119A>C, c.926G>T). Thus, the total number of potential AKU-causing variants found in 380 patients reported in the HGD mutation database is now 129. Using mCSM and DUET, computational approaches based on the protein 3D structure, the novel missense variants are predicted to affect the activity of the enzyme by three mechanisms: decrease of stability of individual protomers, disruption of protomer-protomer interactions or modification of residues in the region of the active site. We also present an overview of AKU in Italy, where so far about 60 AKU cases are known and DNA analysis has been reported for 34 of them. In this rather small group, 26 different HGD variants affecting function were described, indicating rather high heterogeneity. Twelve of these variants seem to be specific for Italy.

  15. Twelve novel HGD gene variants identified in 99 alkaptonuria patients: focus on ‘black bone disease' in Italy

    Science.gov (United States)

    Nemethova, Martina; Radvanszky, Jan; Kadasi, Ludevit; Ascher, David B; Pires, Douglas E V; Blundell, Tom L; Porfirio, Berardino; Mannoni, Alessandro; Santucci, Annalisa; Milucci, Lia; Sestini, Silvia; Biolcati, Gianfranco; Sorge, Fiammetta; Aurizi, Caterina; Aquaron, Robert; Alsbou, Mohammed; Marques Lourenço, Charles; Ramadevi, Kanakasabapathi; Ranganath, Lakshminarayan R; Gallagher, James A; van Kan, Christa; Hall, Anthony K; Olsson, Birgitta; Sireau, Nicolas; Ayoob, Hana; Timmis, Oliver G; Le Quan Sang, Kim-Hanh; Genovese, Federica; Imrich, Richard; Rovensky, Jozef; Srinivasaraghavan, Rangan; Bharadwaj, Shruthi K; Spiegel, Ronen; Zatkova, Andrea

    2016-01-01

    Alkaptonuria (AKU) is an autosomal recessive disorder caused by mutations in homogentisate-1,2-dioxygenase (HGD) gene leading to the deficiency of HGD enzyme activity. The DevelopAKUre project is underway to test nitisinone as a specific treatment to counteract this derangement of the phenylalanine-tyrosine catabolic pathway. We analysed DNA of 40 AKU patients enrolled for SONIA1, the first study in DevelopAKUre, and of 59 other AKU patients sent to our laboratory for molecular diagnostics. We identified 12 novel DNA variants: one was identified in patients from Brazil (c.557T>A), Slovakia (c.500C>T) and France (c.440T>C), three in patients from India (c.469+6T>C, c.650–85A>G, c.158G>A), and six in patients from Italy (c.742A>G, c.614G>A, c.1057A>C, c.752G>A, c.119A>C, c.926G>T). Thus, the total number of potential AKU-causing variants found in 380 patients reported in the HGD mutation database is now 129. Using mCSM and DUET, computational approaches based on the protein 3D structure, the novel missense variants are predicted to affect the activity of the enzyme by three mechanisms: decrease of stability of individual protomers, disruption of protomer-protomer interactions or modification of residues in the region of the active site. We also present an overview of AKU in Italy, where so far about 60 AKU cases are known and DNA analysis has been reported for 34 of them. In this rather small group, 26 different HGD variants affecting function were described, indicating rather high heterogeneity. Twelve of these variants seem to be specific for Italy. PMID:25804398

  16. Dual-resolution Raman spectroscopy for measurements of temperature and twelve species in hydrocarbon–air flames

    Energy Technology Data Exchange (ETDEWEB)

    Magnotti, Gaetano; Barlow, Robert S.

    2016-07-12

    This study introduces dual-resolution Raman spectroscopy as a novel diagnostics approach for measurements of temperature and species in flames where multiple hydrocarbons are present. Simultaneous measurement of multiple hydrocarbons is challenging because their vibrational Raman spectra in the C–H stretch region are closely overlapped and are not well known over the range of temperature encountered in flames. Overlap between the hydrocarbon spectra is mitigated by adding a second spectrometer, with a higher dispersion grating, to collect the Raman spectra in the C–H stretch region. A dual-resolution Raman spectroscopy instrument has been developed and optimized for measurements of major species (N2, O2, H2O, CO2, CO, H2, DME) and major combustion intermediates (CH4, CH2O, C2H2, C2H4 and C2H6) in DME–air flames. The temperature dependences of the hydrocarbon Raman spectra over fixed spectral regions have been determined through a series of measurements in laminar Bunsen-burner flames, and have been used to extend a library of previously acquired Raman spectra up to flame temperature. The paper presents the first Raman measurements of up to twelve species in hydrocarbon flames, and the first quantitative Raman measurements of formaldehyde in flames. Lastly, the accuracy and precision of the instrument are determined from measurements in laminar flames and the applicability of the instrument to turbulent DME–air flames is discussed.

  17. [Effect of broken black tea on the formation of dental enamel and the contents of twelve kinds of chemical elements].

    Science.gov (United States)

    Cao, Jin; Yao, Zhigang; Yi, Juan; Zhao, Yan; Zhong, Jie; Yuan, Huabing

    2009-11-01

    The aim of this study was to investigate the effect of broken black tea with slightly hyper-normal fluoride content which was near the level of people tea-drinking habits on enamel morphological structure and its content of chemical elements. Thirty six rats were divided randomly into 3 groups: one was control group and another two groups fed with broken black tea infusion with F- content of 8.2 mg/l and 16.4 mg/l, respectively. After 360 days, collected 144 teeth, observed their morphological structure by electron micrograph, Scanning electron micrographs (SEM) and also analyzed concentrations of several chemical elements in tooth by x-ray fluorescence spectrometry (XRF). Chronic dental fluorosis in rats was induced by treatment with broken black tea with slightly hyper-normal fluoride content. Hyper-calcification and hypo-calcification appeared in enamel of those teeth from both broken black tea treated groups in dose-dependent manner. Twelve kinds of chemical elements, such as Ca, Mg, P, Al, Cl were examined. The contents of Ca, P, Mg were reduced and that of Al and Cl were increased significantly. Compared with control group, the levels of Si, S, Fe were lower in those teeth from treated group (broken black tea with the F- content of 8.2 mg/l), while higher in those teeth from treated group (broken black tea with the F- content of 16.4 mg/l). Long-term drinking broken black tea with hyper-normal fluoride content could cause chronic dental fluorosis, and its injury in enamel was related with Hyper-calcification and hypo-calcification mainly. Those changes of several chemical elements level in enamel, such as Ca, P, Al, Cl, were suggested that these chemical elements have influences on the development and mineralization of enamel.

  18. Monitoring field susceptibility to imidacloprid in the cat flea: a world-first initiative twelve years on.

    Science.gov (United States)

    Kopp, Steven; Blagburn, Byron; Coleman, Glen; Davis, Wendell; Denholm, Ian; Field, Chris; Hostetler, Joe; Mencke, Norbert; Rees, Robert; Rust, Michael; Schroeder, Iris; Tetzner, Kathrin; Williamson, Martin

    2013-08-01

    In 2001, an international surveillance initiative was established, utilising a validated larval development inhibition assay to track the susceptibility of cat flea isolates to imidacloprid. In 2009, an Australian node was incorporated into the programme, joining laboratories in the United States and Europe. Field isolates of Ctenocephalides felis eggs were submitted to participating laboratories and, where egg quantity and quality was sufficient, were placed in the imidacloprid discriminating dose bioassay for evaluation. Between 2002 and 2012, a total of 2,307 cat flea isolates were received across all sites; 1,685 submissions (73 %) were suitable for placement into the bioassay. In the Northern Hemisphere, isolate submission rate was influenced by season, with highest numbers submitted between June and October. In Australia, pets with flea infestations could be sourced year-round, and submission rate was largely influenced by programme factors and not climate. A total of 1,367 valid assays were performed between 2002 and 2012 (assay validity data was not recorded in 2001); adult flea emergence 5 % or greater at 3 ppm imidacloprid was observed in 38 of these assays (2.8 %). For these isolates that reached the threshold for further investigation, re-conduct of the assay using either a repeat challenge dose of 3 ppm of imidacloprid or a dose response probit analysis confirmed their susceptibility to imidacloprid. From 2009 to 2012, the Australian node performed valid assays on 97 field isolates from a total of 136 submissions, with no adult emergence observed at the 3-ppm imidacloprid discriminating dose. In addition to reviewing the data generated by this twelve-year initiative, this paper discusses lessons learned from the coordination and evolution of a complex project across geographically dispersed laboratories on three continents.

  19. Design of Ligands for Affinity Purification of G-CSF Based on Peptide Ligands Derived from a Peptide Library

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Combinatorial peptide libraries have become powerful tools to screen functional ligands by the principle of affinity selection. We screened in a phage peptide library to investigate potential peptide affinity ligands for the purification of human granulocyte colony-stimulation factor(hG-CSF). Peptide ligands will be promising to replace monoclonal antibodies as they have advantages of high stability, efficiency, selectivity and low price.

  20. Functional roles and substrate specificities of twelve cytochromes P450 belonging to CYP52 family in n-alkane assimilating yeast Yarrowia lipolytica.

    Science.gov (United States)

    Iwama, Ryo; Kobayashi, Satoshi; Ishimaru, Chiaki; Ohta, Akinori; Horiuchi, Hiroyuki; Fukuda, Ryouichi

    2016-06-01

    Yarrowia lipolytica possesses twelve ALK genes, which encode cytochromes P450 in the CYP52 family. In this study, using a Y. lipolytica strain from which all twelve ALK genes had been deleted, strains individually expressing each of the ALK genes were constructed and their roles and substrate specificities were determined by observing their growth on n-alkanes and analyzing fatty acid metabolism. The results suggested that the twelve Alk proteins can be categorized into four groups based on their substrate specificity: Alk1p, Alk2p, Alk9p, and Alk10p, which have significant activities to hydroxylate n-alkanes; Alk4p, Alk5p, and Alk7p, which have significant activities to hydroxylate the ω-terminal end of dodecanoic acid; Alk3p and Alk6p, which have significant activities to hydroxylate both n-alkanes and dodecanoic acid; and Alk8p, Alk11p, and Alk12p, which showed faint or no activities to oxidize these substrates. The involvement of Alk proteins in the oxidation of fatty alcohols and fatty aldehydes was also analyzed by measuring viability of the mutant deleted for twelve ALK genes in medium containing dodecanol and by observing growth on dodecanal of a mutant strain, in which twelve ALK genes were deleted along with four fatty aldehyde dehydrogenase genes. It was suggested that ALK gene(s) is/are involved in the detoxification of dodecanol and the assimilation of dodecanal. These results imply that genes encoding CYP52-family P450s have undergone multiplication and diversification in Y. lipolytica for assimilation of various hydrophobic compounds.

  1. Comparison of Analysis Methods for 1-Methyl-2-pyrrolidinone Residual in Poly Urethane Leather by GC-MS and HPLC-PDA%GC-MS和HPLC-PDA测定PU革中N-甲基吡咯烷酮残留的比较

    Institute of Scientific and Technical Information of China (English)

    王良贵; 杨明华

    2015-01-01

    分别建立PU革中N-甲基吡咯烷酮残留量的气-质联用法(GC-MS)和高效液相色谱-二极管阵列检测器(HPLC-PDA)检测法,并比较了2种方法在实际检测过程中的优缺点,2种方法均可满足生态纺织品标准(Oeko-Tex Standard 100)对NMP检测要求,但中等极性色谱柱的GC-MS法的灵敏度和色谱峰分离度均好于HPLC-PDA法.%Two methods for 1-methyl-2-pyrrolidinone ( NMP ) analysis in the poly urethane leather were developed by gas chromatography with mass spectrometry detector ( GC - MS ) and high performance liquid chromatography with photodiode array detector ( HPLC-PDA ) , respectively. The virtues and limitations of the above approaches were compared during the actual application. Both testing methods can meet the demand for determination of NMP residual in poly urethane leather according to Oeko-Tex Standard 100. The GC-MS on a column of medium polarity had higher sensitivity and better separating resolution for chromatographic peak of NMP with other peaks than HPLC-PDA.

  2. PDA对我国外文电子期刊资源联合采购的影响研究%Study on the Inlfuence of Patron Driven Acquisition(PDA)on the Joint Purchase of the Foreign Electronic Periodical Resources Libraries

    Institute of Scientific and Technical Information of China (English)

    吴进琼

    2016-01-01

    Patron driven Acquisition,PDA(读者决策采购)在国外图书馆电子图书联合采购中效益非常明显。如果把它引进我国高校图书馆电子期刊文献资源特别是外文电子期刊联合采购中,将会对我国的电子期刊文献资源建设起到非常重要的作用。本文主要对把读者决策采购PDA模式对我国高校图书馆外文电子期刊文献资源联合采购的影响进行论述。%The Benefit of Patron-driven Acquisition(PDA)is very obvious in the foreign library electronic book purchase.PDA will play an very important role to our country's electronic resources construction especially foreign electronic journal if it is introduced into the electronic journal literature resources joint purchase in our country university libraries.This article mainly discusses the influence of the PDA mode on the purchase of the foreign electronic journals of University Libraries in China.

  3. Ligand "Brackets" for Ga-Ga Bond.

    Science.gov (United States)

    Fedushkin, Igor L; Skatova, Alexandra A; Dodonov, Vladimir A; Yang, Xiao-Juan; Chudakova, Valentina A; Piskunov, Alexander V; Demeshko, Serhiy; Baranov, Evgeny V

    2016-09-06

    The reactivity of digallane (dpp-Bian)Ga-Ga(dpp-Bian) (1) (dpp-Bian = 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene) toward acenaphthenequinone (AcQ), sulfur dioxide, and azobenzene was investigated. The reaction of 1 with AcQ in 1:1 molar ratio proceeds via two-electron reduction of AcQ to give (dpp-Bian)Ga(μ2-AcQ)Ga(dpp-Bian) (2), in which diolate [AcQ](2-) acts as "bracket" for the Ga-Ga bond. The interaction of 1 with AcQ in 1:2 molar ratio proceeds with an oxidation of the both dpp-Bian ligands as well as of the Ga-Ga bond to give (dpp-Bian)Ga(μ2-AcQ)2Ga(dpp-Bian) (3). At 330 K in toluene complex 2 decomposes to give compounds 3 and 1. The reaction of complex 2 with atmospheric oxygen results in oxidation of a Ga-Ga bond and affords (dpp-Bian)Ga(μ2-AcQ)(μ2-O)Ga(dpp-Bian) (4). The reaction of digallane 1 with SO2 produces, depending on the ratio (1:2 or 1:4), dithionites (dpp-Bian)Ga(μ2-O2S-SO2)Ga(dpp-Bian) (5) and (dpp-Bian)Ga(μ2-O2S-SO2)2Ga(dpp-Bian) (6). In compound 5 the Ga-Ga bond is preserved and supported by dithionite dianionic bracket. In compound 6 the gallium centers are bridged by two dithionite ligands. Both 5 and 6 consist of dpp-Bian radical anionic ligands. Four-electron reduction of azobenzene with 1 mol equiv of digallane 1 leads to complex (dpp-Bian)Ga(μ2-NPh)2Ga(dpp-Bian) (7). Paramagnetic compounds 2-7 were characterized by electron spin resonance spectroscopy, and their molecular structures were established by single-crystal X-ray analysis. Magnetic behavior of compounds 2, 5, and 6 was investigated by superconducting quantum interference device technique in the range of 2-295 K.

  4. Characterizing mixed phosphonic acid ligand capping on CdSe/ZnS quantum dots using ligand exchange and NMR spectroscopy.

    Science.gov (United States)

    Davidowski, Stephen K; Lisowski, Carmen E; Yarger, Jeffery L

    2016-03-01

    The ligand capping of phosphonic acid functionalized CdSe/ZnS core-shell quantum dots (QDs) was investigated with a combination of solution and solid-state (31) P nuclear magnetic resonance (NMR) spectroscopy. Two phosphonic acid ligands were used in the synthesis of the QDs, tetradecylphosphonic acid and ethylphosphonic acid. Both alkyl phosphonic acids showed broad liquid and solid-state (31) P NMR resonances for the bound ligands, indicative of heterogeneous binding to the QD surface. In order to quantify the two ligand populations on the surface, ligand exchange facilitated by phenylphosphonic acid resulted in the displacement of the ethylphosphonic acid and tetradecylphosphonic acid and allowed for quantification of the free ligands using (31) P liquid-state NMR. After washing away the free ligand, two broad resonances were observed in the liquids' (31) P NMR corresponding to the alkyl and aromatic phosphonic acids. The washed samples were analyzed via solid-state (31) P NMR, which confirmed the ligand populations on the surface following the ligand exchange process. Copyright © 2015 John Wiley & Sons, Ltd.

  5. Phosphinothiolates as ligands for polyhydrido copper nanoclusters.

    Science.gov (United States)

    Huertos, Miguel A; Cano, Israel; Bandeira, Nuno A G; Benet-Buchholz, Jordi; Bo, Carles; van Leeuwen, Piet W N M

    2014-12-01

    The reaction of [CuI(HSC6 H4 PPh2 )]2 with NaBH4 in CH2 Cl2 /EtOH led to air- and moisture-stable copper hydride nanoparticles (CuNPs) containing phosphinothiolates as new ligands, one of which was isolated by crystallization. The X-ray crystal structure of [Cu18 H7 L10 I] (L=(-) S(C6 H4 )PPh2 ) shows unprecedented features in its 28-atom framework (18 Cu and 10 S atoms). Seven hydrogen atoms, in hydride form, are needed for charge balance and were located by density functional theory methods. H2 was released from the copper hydride nanoparticles by thermolysis and visible light irradiation.

  6. Investigating silver coordination to mixed chalcogen ligands.

    Science.gov (United States)

    Knight, Fergus R; Randall, Rebecca A M; Wakefield, Lucy; Slawin, Alexandra M Z; Woollins, J Derek

    2012-11-08

    Six silver(I) coordination complexes have been prepared and structurally characterised. Mixed chalcogen-donor acenaphthene ligands L1-L3 [Acenap(EPh)(E'Ph)] (Acenap = acenaphthene-5,6-diyl; E/E' = S, Se, Te) were independently treated with silver(I) salts (AgBF₄/AgOTf). In order to keep the number of variables to a minimum, all reactions were carried out using a 1:1 ratio of Ag/L and run in dichloromethane. The nature of the donor atoms, the coordinating ability of the respective counter-anion and the type of solvent used in recrystallisation, all affect the structural architecture of the final silver(I) complex, generating monomeric, silver(I) complexes {[AgBF₄(L)₂] (1 L = L1; 2 L = L2; 3 L = L3), [AgOTf(L)₃] (4 L = L1; 5 L = L3), [AgBF₄(L)₃] (2a L = L1; 3a L = L3)} and a 1D polymeric chain {[AgOTf(L3)](n) 6}. The organic acenaphthene ligands L1-L3 adopt a number of ligation modes (bis-monodentate μ₂-η²-bridging, quasi-chelating combining monodentate and η⁶-E(phenyl)-Ag(I) and classical monodentate coordination) with the central silver atom at the centre of a tetrahedral or trigonal planar coordination geometry in each case. The importance of weak interactions in the formation of metal-organic structures is also highlighted by the number of short non-covalent contacts present within each complex.

  7. Investigating Silver Coordination to Mixed Chalcogen Ligands

    Directory of Open Access Journals (Sweden)

    J. Derek Woollins

    2012-11-01

    Full Text Available Six silver(I coordination complexes have been prepared and structurally characterised. Mixed chalcogen-donor acenaphthene ligands L1–L3 [Acenap(EPh(E'Ph] (Acenap = acenaphthene-5,6-diyl; E/E' = S, Se, Te were independently treated with silver(I salts (AgBF4/AgOTf. In order to keep the number of variables to a minimum, all reactions were carried out using a 1:1 ratio of Ag/L and run in dichloromethane. The nature of the donor atoms, the coordinating ability of the respective counter-anion and the type of solvent used in recrystallisation, all affect the structural architecture of the final silver(I complex, generating monomeric, silver(I complexes {[AgBF4(L2] (1 L = L1; 2 L = L2; 3 L = L3, [AgOTf(L3] (4 L = L1; 5 L = L3, [AgBF4(L3] (2a L = L1; 3a L = L3} and a 1D polymeric chain {[AgOTf(L3]n 6}. The organic acenaphthene ligands L1-L3 adopt a number of ligation modes (bis-monodentate μ2-η2-bridging, quasi-chelating combining monodentate and η6-E(phenyl-Ag(I and classical monodentate coordination with the central silver atom at the centre of a tetrahedral or trigonal planar coordination geometry in each case. The importance of weak interactions in the formation of metal-organic structures is also highlighted by the number of short non-covalent contacts present within each complex.

  8. 艾森曼格综合征的动脉导管未闭患者能否行介入手术?%Can PDA patient in early stage of Eisenmenger syndrome accept interventional surgery ?

    Institute of Scientific and Technical Information of China (English)

    尚小珂; Zhong Liang; 张刚成; 彭婷; 李丁扬; 卢蓉; 邓晓娴; 周红梅

    2014-01-01

    目的:探讨在艾森曼格综合征早期能否行动脉导管未闭(PDA)介入手术治疗。方法3例患者术前1周内按照注册研究规定行临床评估和肺动脉高压相关检查及登记。行右心导管检查以及肺血管扩张试验(面罩吸入万他维1支),测量试验前后肺动脉压力、降主动脉压力、肺体循环血流量比、肺体压力比、肺毛细血管嵌压[均≤15 mmHg(1 mmHg=0.133 kPa)]等,明确肺血管扩张试验结果后行试封堵试验,如为阳性,与家属沟通同意后释放封堵器;如为阴性,快速撤出封堵器并根据患者临床症状对症处理。结果病例1肺血管扩张试验阴性,试封堵试验阳性,即刻手术效果理想,经家属同意释放封堵器。病例2、病例3肺血管扩张试验阴性,试封堵试验阴性,未释放封堵器。结论部分早期艾森曼格综合征动脉导管未闭患者可行介入封堵,试封堵试验可能是一个预测预后的重要指标。%Objective To explore whether the PDA patients in the early stage of Eisenmenger syndrome can accept interventional surgery. Methods Three patients were choose from the “National Multicenter Prospective Registration Study on Pulmonary Artery Hypertension”, Clinical assessment, as well as examinations and registrations associated with PAH, was conducted in accordance with relevant provisions of the registration study within 1 wk prior to surgery. The way of the interventional treatment were right heart catheterization and pulmonary vasodilator testing (a capsule of iloprost solution for inhalation), and measurement of the pulmonary arterial pressure, descending aortic pressure, ratio of pulmonary to systemic blood flow, ratio of pulmonary to systemic blood pressure, pulmonary capillary wedge pressure [mean≤15 mmHg(1 mmHg=0.133 kPa)], before and after testing. After clear the results of pulmonary vasodilator test all patients underwent transcatheter closure testing

  9. Development and Application of Ligand-Exchange Reaction Method ...

    African Journals Online (AJOL)

    Erah

    Methods: The method is based on ligand-exchange reaction. ... Clonazepam, Ligand-exchange reaction, Kinetic spectrometry, Validation, Pharmaceutical ... sensitive and selective analytical method for ... does not need sophisticated instruments or ..... of clonazepam in human serum ("Lytorol N) by standard addition method.

  10. Polymerization catalysts containing electron-withdrawing amide ligands

    Science.gov (United States)

    Watkin, John G.; Click, Damon R.

    2002-01-01

    The present invention describes methods of making a series of amine-containing organic compounds which are used as ligands for group 3-10 and lanthanide metal compounds. The ligands have electron-withdrawing groups bonded to them. The metal compounds, when combined with a cocatalyst, are catalysts for the polymerization of olefins.

  11. Functionalized pyrazines as ligands for minor actinide extraction and catalysis

    NARCIS (Netherlands)

    Nikishkin, N.

    2013-01-01

    The research presented in this thesis concerns the design of ligands for a wide range of applications, from nuclear waste treatment to catalysis. The strategies employed to design actinide-selective extractants, for instance, comprise the fine tuning of the ligand electronic properties as well as

  12. a review of cyclopentadienyl type ligands in group 4 metallocene ...

    African Journals Online (AJOL)

    Neil Grimmer

    metal, ligand and bridge choice has on polymerisation activity and the physical properties of the polymer ... It is the ligands bonded to a metal atom(s) that strongly influence the course of a ...... The indenyl framework also lends itself to .... capable of producing an amorphous polymer.151,162 The reason is proposed to relate.

  13. Soluble CD40 ligand in acute coronary syndromes

    NARCIS (Netherlands)

    C. Heeschen (Christopher); S. Dimmeler (Stefanie); C.W. Hamm (Christian); A.M. Zeiher (Andreas); M.L. Simoons (Maarten); M.J.B.M. van den Brand (Marcel); H. Boersma (Eric)

    2003-01-01

    textabstractBACKGROUND: CD40 ligand is expressed on platelets and released from them on activation. We investigated the predictive value of soluble CD40 ligand as a marker for clinical outcome and the therapeutic effect of glycoprotein IIb/IIIa receptor inhibition in patients with acute coronary syn

  14. Functionalized pyrazines as ligands for minor actinide extraction and catalysis

    NARCIS (Netherlands)

    Nikishkin, N.

    2013-01-01

    The research presented in this thesis concerns the design of ligands for a wide range of applications, from nuclear waste treatment to catalysis. The strategies employed to design actinide-selective extractants, for instance, comprise the fine tuning of the ligand electronic properties as well as us

  15. 1,8-Dimethylnaphthalene-bridged diphosphine ligands

    DEFF Research Database (Denmark)

    Bellabarba, Ronan M; Hammond, Colin; Forman, Grant S

    2006-01-01

    The synthesis of a new series of ligands with a 1,8-dimethylnaphthalene backbone is reported, 1,8-(R2PCH2)2C10H6, where R = (t)Bu 1 (dbpn), (i)Pr 2 (dippn), Cy 3 (dchpn) and Ph 4 (dphpn). The ligand 1 is structurally characterised by X-ray crystallography. A comparative structural study...

  16. Dynamic Ligand Reactivity in a Rhodium Pincer Complex

    NARCIS (Netherlands)

    Tang, Zhou; Otten, Edwin; Reek, Joost N H; van der Vlugt, Jarl Ivar; de Bruin, Bas

    2015-01-01

    Ligand cooperativity provides (transition) metal complexes with new reactivities in substrate activation and catalytic reactions, but usually the ligand acts as an internal (Brønsted) base, while the metal acts as a (Lewis) acid. We describe the synthesis and stepwise activation of a new phosphane-p

  17. Ligand-modified metal clusters for gas separation and purification

    Energy Technology Data Exchange (ETDEWEB)

    Okrut, Alexander; Ouyang, Xiaoying; Runnebaum, Ron; Gates, Bruce C.; Katz, Alexander

    2017-02-21

    Provided is an organic ligand-bound metal surface that selects one gaseous species over another. The species can be closely sized molecular species having less than 1 Angstrom difference in kinetic diameter. In one embodiment, the species comprise carbon monoxide and ethylene. Such organic ligand-bound metal surfaces can be successfully used in gas phase separations or purifications, sensing, and in catalysis.

  18. Interaction of calreticulin with CD40 ligand, TRAIL and Fas ligand.

    Science.gov (United States)

    Duus, K; Pagh, R T; Holmskov, U; Højrup, P; Skov, S; Houen, G

    2007-11-01

    The molecular chaperone calreticulin has been shown to bind C1q and mannan-binding lectin (MBL), which are constituents of the innate immune defence system. C1q and MBL do not share a large sequence identity but have a similar overall molecular architecture: an N-terminal triple-helical collagen-like domain and a C-terminal globular domain with ligand-binding properties. C1q is a hetero-trimer, while MBL is a homo-trimer, but due to the presence of N-terminal cysteines they both form higher order oligomers of trimers, which are the mature functional molecules. The same molecular architecture is utilized by many other functionally diverse molecules and in this work the interaction of calreticulin with C1q and structurally similar molecules was investigated. In addition to C1q and MBL, CD40 ligand (CD40L), tumour necrosis factor-related apoptosis-inducing ligand (TRAIL) and Fas ligand (FasL) were found to bind calreticulin strongly. A low level or no binding was observed for adiponectin, tumour necrosis factor-alpha (TNF-alpha), CD30L, surfactant protein-A and -D and collagen VIII. The interaction with calreticulin required a conformational change in CD40L, TRAIL and FasL and showed the same characteristics as calreticulin's interaction with C1q and MBL: a time-dependent saturable binding to immobilized protein, which was initially sensitive to salt but gradually developed into a salt-insensitive interaction. Thus, the interaction requires a structural change in the interaction partner and leads to a conformational change in calreticulin itself. The implications of these results are that calreticulin may function as a general response modifier for a whole group of immunologically important proteins.

  19. A retrospective evaluation of the quality of malaria case management at twelve health facilities in four districts in Zambia

    Institute of Scientific and Technical Information of China (English)

    Pascalina Chanda-Kapata; Emmanuel Chanda; Freddie Masaninga; Annette Habluetzel; Felix Masiye; Ibrahima Soce Fall

    2014-01-01

    Objective: To establish the appropriateness of malaria case management at health facility level in four districts in Zambia. Methods: This study was a retrospective evaluation of the quality of malaria case management at health facilities in four districts conveniently sampled to represent both urban and rural settings in different epidemiological zones and health facility coverage. The review period was from January to December 2008. The sample included twelve lower level health facilities from four districts. The Pearson Chi-square test was used to identify characteristics which affected the quality of case management.Results:Out of 4891 suspected malaria cases recorded at the 12 health facilities, more than 80% of the patients had a temperature taken to establish their fever status. About 67% (CI95 66.1-68.7) were tested for parasitemia by either rapid diagnostic test or microscopy, whereas the remaining 22.5% (CI95 21.3.1-23.7) were not subjected to any malaria test. Of the 2247 malaria cases reported (complicated and uncomplicated), 71% were parasitologically confirmed while 29% were clinically diagnosed (unconfirmed). About 56% (CI95 53.9-58.1) of the malaria cases reported were treated with artemether-lumefantrine (AL), 35% (CI95 33.1-37.0) with sulphadoxine-pyrimethamine, 8% (CI95 6.9-9.2) with quinine and 1% did not receive any anti-malarial. Approximately 30% of patients WHO were found negative for malaria parasites were still prescribed an anti-malarial, contrary to the guidelines. There were marked inter-district variations in the proportion of patients in WHOm a diagnostic tool was used, and in the choice of anti-malarials for the treatment of malaria confirmed cases. Association between health worker characteristics and quality of case malaria management showed that nurses performed better than environmental health technicians and clinical officers on the decision whether to use the rapid diagnostic test or not. Gender, in service training on malaria

  20. Enthalpy of ligand substitution in cis organopalladium complexes with monodentate ligands.

    Science.gov (United States)

    Salas, Gorka; Casares, Juan A; Espinet, Pablo

    2009-10-21

    The enthalpy for the substitution reaction cis-[PdRf(2)(THF)(2)] + 2 L -->cis-[PdRf(2)L(2)] + 2THF (THF = tetrahydrofuran) has been measured in THF by calorimetric methods for Rf = 3,5-dichloro-2,4,6-trifluorophenyl, L = PPh(3), AsPh(3), SbPh(3), PMePh(2), PCyPh(2), PMe(3), AsMePh(2), or L(2) = dppe (1,2-bis(diphenylphosphino)ethane), dppf (1,1'-bis(diphenylphosphino)ferrocene). The values determined show that the substitution enthalpy has a strong dependence on the electronic and steric properties of the ligand. The study of the consecutive substitution reactions cis-[PdRf(2)(THF)(2)] + L -->cis-[PdRf(2)L(THF)] + THF, and cis-[PdRf(2)L(THF)] + L -->cis-[PdRf(2)L(2)] + THF has been carried our for L = PPh(3) and L = PCyPh(2). The first substitution is clearly more favorable for the bulkier leaving ligand, but the second gives practically the same DeltaH value for both cases, indicating that the differences in steric hindrance happen to compensate the electronic differences for both ligands. The X-ray structures of cis-[PdRf(2)(PMePh(2))(2)], cis-[PdRf(2)(dppe)] and cis-[PdRf(2)(dppf)] are reported.

  1. Ligand-Induced Stability of Gold Nanoclusters: Thiolate versus Selenolate.

    Science.gov (United States)

    Kurashige, Wataru; Yamaguchi, Masaki; Nobusada, Katsuyuki; Negishi, Yuichi

    2012-09-20

    Thiolate-protected gold nanoclusters have attracted considerable attention as building blocks for new functional materials and have been extensively researched. Some studies have reported that changing the ligand of these gold nanoclusters from thiolate to selenolate increases cluster stability. To confirm this, in this study, we compare the stabilities of precisely synthesized [Au25(SC8H17)18](-) and [Au25(SeC8H17)18](-) against degradation in solution, thermal dissolution, and laser fragmentation. The results demonstrate that changing the ligand from thiolate to selenolate increases cluster stability in reactions involving dissociation of the gold-ligand bond but reduces cluster stability in reactions involving intramolecular dissociation of the ligand. These results reveal that using selenolate ligands makes it possible to produce gold clusters that are more stable against degradation in solution than thiolate-protected gold nanoclusters.

  2. Development of chiral sulfoxide ligands for asymmetric catalysis.

    Science.gov (United States)

    Trost, Barry M; Rao, Meera

    2015-04-20

    Nitrogen-, phosphorus-, and oxygen-based ligands with chiral backbones have been the historic workhorses of asymmetric transition-metal-catalyzed reactions. On the contrary, sulfoxides containing chirality at the sulfur atom have mainly been used as chiral auxiliaries for diastereoselective reactions. Despite several distinct advantages over traditional ligand scaffolds, such as the proximity of the chiral information to the metal center and the ability to switch between S and O coordination, these compounds have only recently emerged as a versatile class of chiral ligands. In this Review, we detail the history of the development of chiral sulfoxide ligands for asymmetric catalysis. We also provide brief descriptions of metal-sulfoxide bonding and strategies for the synthesis of enantiopure sulfoxides. Finally, insights into the future development of this underutilized ligand class are discussed.

  3. Polypharmacology: in silico methods of ligand design and development.

    Science.gov (United States)

    McKie, Samuel A

    2016-04-01

    How to design a ligand to bind multiple targets, rather than to a single target, is the focus of this review. Rational polypharmacology draws on knowledge that is both broad ranging and hierarchical. Computer-aided multitarget ligand design methods are described according to their nested knowledge level. Ligand-only and then receptor-ligand strategies are first described; followed by the metabolic network viewpoint. Subsequently strategies that view infectious diseases as multigenomic targets are discussed, and finally the disease level interpretation of medicinal therapy is considered. As yet there is no consensus on how best to proceed in designing a multitarget ligand. The current methodologies are bought together in an attempt to give a practical overview of how polypharmacology design might be best initiated.

  4. Predicting protein-ligand affinity with a random matrix framework.

    Science.gov (United States)

    Lee, Alpha A; Brenner, Michael P; Colwell, Lucy J

    2016-11-29

    Rapid determination of whether a candidate compound will bind to a particular target receptor remains a stumbling block in drug discovery. We use an approach inspired by random matrix theory to decompose the known ligand set of a target in terms of orthogonal "signals" of salient chemical features, and distinguish these from the much larger set of ligand chemical features that are not relevant for binding to that particular target receptor. After removing the noise caused by finite sampling, we show that the similarity of an unknown ligand to the remaining, cleaned chemical features is a robust predictor of ligand-target affinity, performing as well or better than any algorithm in the published literature. We interpret our algorithm as deriving a model for the binding energy between a target receptor and the set of known ligands, where the underlying binding energy model is related to the classic Ising model in statistical physics.

  5. Patent ductus arteriosis (PDA) - series (image)

    Science.gov (United States)

    ... mediastinum) while the child is deep asleep and pain-free (under general anesthesia). For some heart defect repairs, the incision is made on the side of the chest, between the ribs (thoracotomy) instead of through the breastbone. Heart-lung ...

  6. Gas adsorption and gas mixture separations using mixed-ligand MOF material

    Science.gov (United States)

    Hupp, Joseph T.; Mulfort, Karen L.; Snurr, Randall Q.; Bae, Youn-Sang

    2011-01-04

    A method of separating a mixture of carbon dioxiode and hydrocarbon gas using a mixed-ligand, metal-organic framework (MOF) material having metal ions coordinated to carboxylate ligands and pyridyl ligands.

  7. Regulation mechanisms of the FLT3-ligand after irradiation; Mecanismes de regulation du FLT3-ligand apres irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Prat-Lepesant, M

    2005-06-15

    The hematopoietic compartment is one of the most severely damaged after chemotherapy, radiotherapy or accidental irradiations. Whatever its origin, the resulting damage to the bone marrow remains difficult to evaluate. Thus, it would be of great interest to get a biological indicator of residual hematopoiesis in order to adapt the treatment to each clinical situation. Recent results indicated that the plasma Flt3 ligand concentration was increased in patients suffering from either acquired or induced aplasia, suggesting that Flt3 ligand might be useful as a biological indicator of bone marrow status. We thus followed in a mouse model as well as in several clinical situations the variations in plasma Flt3 ligand concentration, after either homogeneous or heterogeneous irradiations. These variations were correlated to the number of hematopoietic progenitors and to other parameters such as duration and depth of pancytopenia. The results indicated that the concentration of Flt3 ligand in the blood reflects the bone marrow status, and that the follow-up of plasma Flt3 ligand concentration could give predictive information about the bone marrow function and the duration and severity of pancytopenia and thrombocytopenia. Nevertheless, the clinical use of Flt3 ligand as a biological indicator of bone marrow damage require the knowledge of the mechanisms regulating the variations in plasma Flt3 ligand concentration. We thus developed a study in the mouse model. The results indicated that the variations in plasma Flt3 ligand variations were not solely due to a balance between its production by lymphoid cells and its consumption by hematopoietic cells. Moreover, we showed that T lymphocytes are not the main regulator of plasma Flt3 ligand concentration as previously suggested, and that other cell types, possibly including bone marrow stromal cells, might be strongly implicated. These results also suggest that the Flt3 ligand is a main systemic regulator of hematopoiesis

  8. Discussion the Theory of "Shi's Twelve Word Life Cultivation Skill"%“施氏十二字养生功”的基础理论探讨

    Institute of Scientific and Technical Information of China (English)

    胡志俊; 王世伟; 施杞; 叶秀兰; 唐占英

    2011-01-01

    目的:探讨施氏十二字养生功理论渊源及作用原理.方法:通过发掘古代医学文献对导引的论述并结合现代医学理论来探讨施氏十二字养生功的作用机理.结果:施氏十二字养生功是在中医传统导引理论指导下通过长期的临床实践创建的养生功,对以颈椎病为主的骨退行性病变引起的疼痛不适等有良好疗效.结论:施氏十二字养生功是防治颈椎病有效方法之一.%Objective: Discussion the origin of "Shi's twelve word life cultivation skill " theory and principle. Methods: To explore the ancient medical literature through the discussion on the guidance and combined with modern medical theory of health work Discussion the theory of "Shi's twelve word life cultivation skill" and it's mechanism. Results: "Shi's twelve word life cultivation skill" is guided in the theory of traditional Chinese medicine under the guidance of clinical practice through long-term work to create the health of the cervical degenerative bone disease mainly caused such pain and discomfort have a good effect. Conclusion: "Shi's twelve-word life-cultivation skill" is an effective method for prevention and treatment of cervical spondylosis.

  9. Flies from L.A., The Sequel: A further twelve new species of Megaselia (Diptera: Phoridae) from the BioSCAN Project in Los Angeles (California, USA)

    OpenAIRE

    Hartop, Emily; Brown, Brian; Disney,R. Henry

    2016-01-01

    Presented are continued results from the BioSCAN Project, an urban biodiversity study sampling primarily from private backyards in Los Angeles, California (USA). Presented are continued results from the BioSCAN Project, an urban biodiversity study sampling primarily from private backyards in Los Angeles, California (USA). Twelve new species of Megaselia (Diptera: Phoridae) are described: M. baileyae, M. friedrichae, M. gonzalezorum, M. joanneae, M. losangelensis, M. phyllissunae, M. p...

  10. The Twelve Promises of Alcoholics Anonymous: psychometric measure validation and mediational testing as a 12-step specific mechanism of behavior change.

    Science.gov (United States)

    Kelly, John F; Greene, M Claire

    2013-12-01

    Empirical support for the recovery utility of 12-step mutual-help organizations (MHOs) has led to increased investigation of how such organizations confer benefit. The Twelve Promises of Alcoholics Anonymous (AA) feature prominently in 12-step philosophy and culture and are one of the few documented explications of the cognitive, affective, and behavioral benefits that members might accrue. This study investigated the psychometric properties of a measure of AA's Twelve Promises and examined whether it mediated the effect of 12-step participation on abstinence. Young adults (N=302, M age 20.4 [1.6], range 18-25; 27% female; 95% White) enrolled in an addiction treatment effectiveness study completed assessments at intake and 3-, 6-, and 12-months post treatment including a 26-item, Twelve Promises Scale (TPS). Factor analyses examined the TPS' psychometrics and lagged mediational analyses tested the TPS as a mechanism of behavior change. Robust principal axis factoring extraction with Varimax rotation revealed a 2-factor solution explaining 45-58% of the variance across three administrations ("Psychological Wellbeing"=26-39%; "Freedom from Craving=17-21%); internal consistency was high (alpha=.83-.93). Both factors were found to increase in relation to greater 12-step participation, but significant mediation was found only for the Freedom from Craving factor explaining 21-34% of the effect of 12-step participation in increasing abstinence. The TPS shows potential as a conceptually relevant, and psychometrically sound measure and may be useful in helping elucidate the extent to which the Twelve Promises emerge as an independent benefit of 12-step participation and/or explain SUD remission and recovery. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  11. Electronic spectra and photophysics of platinum(II) complexes with alpha-diimine ligands - Solid-state effects. I - Monomers and ligand pi dimers

    Science.gov (United States)

    Miskowski, Vincent M.; Houlding, Virginia H.

    1989-01-01

    Two types of emission behavior for Pt(II) complexes containing alpha-diimine ligands have been observed in dilute solution. If the complex also has weak field ligands such as chloride, ligand field (d-d) excited states become the lowest energy excited states. If only strong field ligands are present, a diimine 3(pi-pi/asterisk/) state becomes the lowest. In none of the cases studied did metal-to-ligand charge transfer excited state lie lowest.

  12. Ultra pressure liquid chromatography-negative electrospray ionization mass spectrometry determination of twelve halobenzoquinones at ng/L levels in drinking water.

    Science.gov (United States)

    Huang, Rongfu; Wang, Wei; Qian, Yichao; Boyd, Jessica M; Zhao, Yuli; Li, Xing-Fang

    2013-05-01

    We report here the characterization of twelve halobenzoquinones (HBQs) using electrospray ionization (ESI) high resolution quadrupole time-of-flight mass spectrometry. The high resolution negative ESI spectra of the twelve HBQs formed two parent ions, [M + H(+) + 2e(-)], and the radical M(-•). The intensities of these two parent ions are dependent on their chemical structures and on instrumental parameters such as the source temperature and flow rate. The characteristic ions of the HBQs were used to develop an ultra pressure liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) method. At the UPLC flow rate (400 μL/min) and under the optimized ESI conditions, eleven HBQs showed the stable and abundant transitions [M + H(+) + 2e(-)] → X(-) (X(-) representing Cl(-), Br(-), or I(-)), while dibromo-dimethyl-benzoquinone (DBDMBQ) showed only the transition of M(-•) → Br(-). The UPLC efficiently separates all HBQs including some HBQ isomers, while the MS/MS offers exquisite limits of detection (LODs) at subng/mL levels for all HBQs except DBDMBQ. Combined with solid phase extraction (SPE), the method LOD is down to ng/L. The results from analysis of authentic samples demonstrated that the SPE-UPLC-MS/MS method is reliable, fast, and sensitive for the identification and quantification of the twelve HBQs in drinking water.

  13. Blood-letting punctures at twelve Jing-Well points of the hand can treat cerebral ischemia in a similar manner to mannitol

    Institute of Scientific and Technical Information of China (English)

    Xuan Lu; Zelin Chen; Yi Guo; Liang Gao; Liyuan Jiang; Zhongzheng Li; Jianqiao Fang

    2013-01-01

    A rat model of middle cerebral artery permanent occlusion was established using the modified Longa method. Successfully established model animals were treated by blood-letting puncture at twelve Jing-Well points of the hand, and/or by injecting mannitol into the caudal vein twice daily. Brain tissue was collected at 24, 48 and 72 hours after modeling, and blood was collected through the retinal vein before Evans blue was injected, approximately 1 hour prior to harvesting of brain tissue. Results showed that Evans blue leakage into brain tissue and serum nitric oxide synthase activity were significantly increased in model rats. Treatment with blood-letting punctures at twelve Jing-Well points of the hand and/or injection of mannitol into the caudal vein reduced the amount of Evans blue leakage into the brain tissue and serum nitric oxide synthase activity to varying degrees. There was no significant difference between single treatment and combined treatment. Experimental findings indicate that blood-letting punctures at twelve Jing-Well points of the hand can decrease blood-brain barrier permeability and serum nitric oxide synthase activity in rats following middle cerebral artery occlusion, and its effect is similar to that of mannitol injection alone and Jing-Well points plus mannitol injection.

  14. Effect of Blood-letting Puncture at Twelve Well-Points of Hand on Consciousness and Heart Rate in Patients with Apoplexy

    Institute of Scientific and Technical Information of China (English)

    Guo Yi; Wang Xiuyun; Xu Tangping; Dai Zhihua; Li Yunchen

    2005-01-01

    Objective: To observe the effect of blood-letting puncture at Twelve Well-Points of Hand on consciousness and heart rate in patients with early apoplexy. Method: Under observation were patients with disturbance of consciousness within 3 days after the apoplectic seizure. The patients were divided into a large injury team, a moderate injury team and a mild injury team. Each team was again randomly divided into a puncture group and a control group, with routine treatment in both groups but bloodletting puncture only in the puncture group. Quantitative changes in consciousness, blood pressure and heart rate of the patients were observed. Result: Blood-letting puncture at Twelve Well-Points of Hand can improve the consciousness and raise the systolic pressure in patients of the mild injury team, and accelerate the heart rate in all the patients in the puncture group. Conclusion: Blood-letting puncture at Twelve Well-Points of Hand can improve the consciousness of patients with brain injury in small area.

  15. A Comparison of the Twelve Core Values of Thai People Defined by the Head of the National Council for Peace and Order (NCPO) Found in Thai Private and Public University Students

    Science.gov (United States)

    Ngammuk, Patariya

    2016-01-01

    This study aims to examine the twelve core values of Thai people found in Thai university students. The twelve values consist of the following attributes: 1.Upholding the nation, the religions and the Monarchy 2. Being honest, sacrificial and patient with positive attitude for the common good of the public 3. Being grateful to the parents,…

  16. Identification of Soft Matter Binding Peptide Ligands Using Phage Display.

    Science.gov (United States)

    Günay, Kemal Arda; Klok, Harm-Anton

    2015-10-21

    Phage display is a powerful tool for the selection of highly affine, short peptide ligands. While originally primarily used for the identification of ligands to proteins, the scope of this technique has significantly expanded over the past two decades. Phage display nowadays is also increasingly applied to identify ligands that selectively bind with high affinity to a broad range of other substrates including natural and biological polymers as well as a variety of low-molecular-weight organic molecules. Such peptides are of interest for various reasons. The ability to selectively and with high affinity bind to the substrate of interest allows the conjugation or immobilization of, e.g., nanoparticles or biomolecules, or generally, facilitates interactions at materials interfaces. On the other hand, presentation of peptide ligands that selectively bind to low-molecular-weight organic materials is of interest for the development of sensor surfaces. The aim of this article is to highlight the opportunities provided by phage display for the identification of peptide ligands that bind to synthetic or natural polymer substrates or to small organic molecules. The article will first provide an overview of the different peptide ligands that have been identified by phage display that bind to these "soft matter" targets. The second part of the article will discuss the different characterization techniques that allow the determination of the affinity of the identified ligands to the respective substrates.

  17. Review of the Spirobolida on Madagascar, with descriptions of twelve new genera, including three genera of 'fire millipedes' (Diplopoda

    Directory of Open Access Journals (Sweden)

    Thomas Wesener

    2009-09-01

    Full Text Available Twelve new genera and 37 new species of Spirobolida are described: Corallobolus cruentus gen. n., sp. n., Sanguinobolus maculosus gen. n., sp. n., Colossobolus semicyclus gen. n., sp. n., C. oblongopedus sp. n., C. giganteus sp. n., C. minor sp. n., C. litoralis sp. n., C. aculeatus sp. n., C. pseudoaculeatus sp. n., Zehntnerobolus gen. n., Flagellobolus pauliani gen. n., sp. n., Riotintobolus mandenensis gen. n., sp. n., R. minutus sp. n., R. aridus sp. n., R. anomalus sp. n., Pseudocentrobolus aureus gen. n., sp. n., P. vohibasiensis sp. n., Granitobolus endemicus gen. n., sp. n., G. andohahelensis sp. n., Caprobolus andringitra gen. n., sp. n., Alluviobolus laticlavius gen. n., sp. n., A. tsimelahy sp. n., A. antanosy sp. n., Ostinobolus rufus gen. n., sp. n., O. stellaris sp. n., O. montanus sp. n., O. subterraneus sp. n., and Hylekobolus brachiosauroides gen. n., sp. n., H. rufus sp. n., H. griseus sp. n., H. albicollaris sp. n., H. goodmani sp. n., H. montanus sp. n., H. analavelona sp. n., H. latifrons sp. n., H. andasibensis sp. n., H. marojejy sp. n., H. anjanaharibe sp. n. All genera and species are endemic to Madagascar. Hylekobolus belongs to the family Spirobolellidae, while all other Malagasy genera of Spirobolida belong to the Pachybolidae. Among them, only Zehntnerobolus gen. n. is based on a previously described species: Spirobolus rubripes de Saussure & Zehntner, 1897, whereas the remaining 11 new genera altogether contain (a total of 37 new species. Three of the new genera are large-bodied “fire millipedes” (>100 mm long with striking red/black colour patterns. The new discoveries increase the number of endemic Malagasy genera of Spirobolida more than fivefold (from 3 to 15. The number of endemic species recorded from Madagascar has more than doubled (to 61. Body length of the new species varies greatly (between 23 and 170 mm. Keys to all Malagasy Spirobolida families, genera, as well as the newly described species

  18. Ligand-based identification of environmental estrogens

    Energy Technology Data Exchange (ETDEWEB)

    Waller, C.L. [Environmental Protection Agency, Research Triangle Park, NC (United States); Oprea, T.I. [Los Alamos National Lab., NM (United States); Chae, K. [National Institute of Environmental Health Sciences, Research Triangle Park, NC (United States)] [and others

    1996-12-01

    Comparative molecular field analysis (CoMFA), a three-dimensional quantitative structure-activity relationship (3D-QSAR) paradigm, was used to examine the estrogen receptor (ER) binding affinities of a series of structurally diverse natural, synthetic, and environmental chemicals of interest. The CoMFA/3D-QSAR model is statistically robust and internally consistent, and successfully illustrates that the overall steric and electrostatic properties of structurally diverse ligands for the estrogen receptor are both necessary and sufficient to describe the binding affinity. The ability of the model to accurately predict the ER binding affinity of an external test set of molecules suggests that structure-based 3D-QSAR models may be used to supplement the process of endocrine disrupter identification through prioritization of novel compounds for bioassay. The general application of this 3D-QSAR model within a toxicological framework is, at present, limited only by the quantity and quality of biological data for relevant biomarkers of toxicity and hormonal responsiveness. 28 refs., 12 figs., 9 tabs.

  19. Database of ligand-induced domain movements in enzymes

    Directory of Open Access Journals (Sweden)

    Hayward Steven

    2009-03-01

    Full Text Available Abstract Background Conformational change induced by the binding of a substrate or coenzyme is a poorly understood stage in the process of enzyme catalysed reactions. For enzymes that exhibit a domain movement, the conformational change can be clearly characterized and therefore the opportunity exists to gain an understanding of the mechanisms involved. The development of the non-redundant database of protein domain movements contains examples of ligand-induced domain movements in enzymes, but this valuable data has remained unexploited. Description The domain movements in the non-redundant database of protein domain movements are those found by applying the DynDom program to pairs of crystallographic structures contained in Protein Data Bank files. For each pair of structures cross-checking ligands in their Protein Data Bank files with the KEGG-LIGAND database and using methods that search for ligands that contact the enzyme in one conformation but not the other, the non-redundant database of protein domain movements was refined down to a set of 203 enzymes where a domain movement is apparently triggered by the binding of a functional ligand. For these cases, ligand binding information, including hydrogen bonds and salt-bridges between the ligand and specific residues on the enzyme is presented in the context of dynamical information such as the regions that form the dynamic domains, the hinge bending residues, and the hinge axes. Conclusion The presentation at a single website of data on interactions between a ligand and specific residues on the enzyme alongside data on the movement that these interactions induce, should lead to new insights into the mechanisms of these enzymes in particular, and help in trying to understand the general process of ligand-induced domain closure in enzymes. The website can be found at: http://www.cmp.uea.ac.uk/dyndom/enzymeList.do

  20. Synthesis of symmetrical and non-symmetrical bivalent neurotransmitter ligands

    DEFF Research Database (Denmark)

    Stuhr-Hansen, Nicolai; Andersen, Jacob; Thygesen, Mikkel Boas

    2016-01-01

    A novel procedure for synthesis of bivalent neurotransmitter ligands was developed by reacting O-benzyl protected N-nosylated dopamine and serotonin with alkyl- or PEG-linked diols under Fukuyama-Mitsunobu conditions in the presence of DIAD/PPh3 generating three different bivalent neurotransmitter...... ligands in a one-pot reaction. The methodol. establishes a facile route towards bivalent neurotransmitter ligands, and libraries of in total 40 sym. and non-sym. bivalent and monovalent dopamine and serotonin compds. linked through alkyl or PEG spacers of varying length were prepd. Interestingly...

  1. Ligands recognizing the minor groove of DNA: development and applications.

    Science.gov (United States)

    Wemmer, D E

    Polyamide ligands comprised of pyrrole, imidazole and hydroxypyrrole rings have been developed over the past decade which can be used to target many different, predetermined DNA sequences through recognition of functional groups in the minor groove. The design principles for these ligands are described with a description of the characterization of their binding. Variations containing linked recognition modules have been described which allow high affinity and specificity recognition of DNA sequences of over 15 base pairs. Recent applications of these ligands in affecting biological response through competition with proteins for DNA binding sites are reviewed. Copyright 2001 John Wiley & Sons, Inc.

  2. Ligands targeting the excitatory amino acid transporters (EAATs).

    Science.gov (United States)

    Dunlop, John; Butera, John A

    2006-01-01

    This review provides an overview of ligands for the excitatory amino acid transporters (EAATs), a family of high-affinity glutamate transporters localized to the plasma membrane of neurons and astroglial cells. Ligand development from the perspective of identifying novel and more selective tools for elucidating transporter subtype function, and the potential of transporter ligands in a therapeutic setting are discussed. Acute pharmacological modulation of EAAT activity in the form of linear and conformationally restricted glutamate and aspartate analogs is presented, in addition to recent strategies aimed more toward modulating transporter expression levels, the latter of particular significance to the development of transporter based therapeutics.

  3. Role of ligand-dependent GR phosphorylation and half-life in determination of ligand-specific transcriptional activity.

    Science.gov (United States)

    Avenant, Chanel; Ronacher, Katharina; Stubsrud, Elisabeth; Louw, Ann; Hapgood, Janet P

    2010-10-07

    A central question in glucocorticoid mechanism of action via the glucocorticoid receptor (GR) is what determines ligand-selective transcriptional responses. Using a panel of 12 GR ligands, we show that the extent of GR phosphorylation at S226 and S211, GR half-life and transcriptional response, occur in a ligand-selective manner. While GR phosphorylation at S226 was shown to inhibit maximal transcription efficacy, phosphorylation at S211 is required for maximal transactivation, but not for transrepression efficacy. Both ligand-selective GR phosphorylation and half-life correlated with efficacy for transactivation and transrepression. For both expressed and endogenous GR, in two different cell lines, agonists resulted in the greatest extent of phosphorylation and the greatest extent of GR downregulation, suggesting a link between these functions. However, using phosphorylation-deficient GR mutants we established that phosphorylation of the GR at S226 or S211 does not determine the rank order of ligand-selective GR transactivation. These results are consistent with a model whereby ligand-selective GR phosphorylation and half-life are a consequence of upstream events, such as ligand-specific GR conformations, which are maintained in the phosphorylation mutants.

  4. Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach

    Science.gov (United States)

    Lam, Polo C.-H.; Abagyan, Ruben; Totrov, Maxim

    2017-09-01

    Ligand docking to flexible protein molecules can be efficiently carried out through ensemble docking to multiple protein conformations, either from experimental X-ray structures or from in silico simulations. The success of ensemble docking often requires the careful selection of complementary protein conformations, through docking and scoring of known co-crystallized ligands. False positives, in which a ligand in a wrong pose achieves a better docking score than that of native pose, arise as additional protein conformations are added. In the current study, we developed a new ligand-biased ensemble receptor docking method and composite scoring function which combine the use of ligand-based atomic property field (APF) method with receptor structure-based docking. This method helps us to correctly dock 30 out of 36 ligands presented by the D3R docking challenge. For the six mis-docked ligands, the cognate receptor structures prove to be too different from the 40 available experimental Pocketome conformations used for docking and could be identified only by receptor sampling beyond experimentally explored conformational subspace.

  5. Riding the Wave of Monodentate Ligand Revival: From the A/B Concept to Noncovalent Interactions.

    Science.gov (United States)

    Pignataro, Luca; Gennari, Cesare

    2016-12-01

    The rediscovery of chiral monodentate ligands made in the period 1999-2003 had important consequences in enantioselective transition-metal catalysis, such as the introduction of the A/B concept (i.e., use of monodentate ligand mixtures) and, later, a renewed interest in supramolecular ligands capable of ligand-ligand and ligand-substrate interactions. This Personal Account summarizes the contributions made by our research group in this area in the period 2004-2015, which reflect the abovementioned developments. Within this area, we introduced some original concepts, such as 1) the use of chiral tropos ligand mixtures; 2) the development of new strategies to maximize heterocomplex formation from combinations of simple monodentate ligands; 3) the investigation of new ligand-ligand interactions to achieve selective heterocomplex formation; and 4) the development of highly efficient and synthetically accessible supramolecular ligands. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. The Foundations of Protein-Ligand Interaction

    Science.gov (United States)

    Klebe, Gerhard

    For the specific design of a drug we must first answer the question: How does a drug achieve its activity? An active ingredient must, in order to develop its action, bind to a particular target molecule in the body. Usually this is a protein, but also nucleic acids in the form of RNA and DNA can be target structures for active agents. The most important condition for binding is at first that the active agent exhibits the correct size and shape in order to optimally fit into a cavity exposed to the surface of the protein, the "bindingpocket". It is further necessary for the surface properties of the ligand and protein to be mutually compatible to form specific interactions. In 1894 Emil Fischer compared the exact fit of a substrate for the catalytic centre of an enzyme with the picture of a "lock-and-key". Paul Ehrlich coined in 1913 "Corpora non agunt nisi fixata", literally "bodies do not work when they are not bound". He wanted to imply that active agents that are meant to kill bacteria or parasites must be "fixed" by them, i.e. linked to their structures. Both concepts form the starting point for any rational concept in the development of active pharmaceutical ingredients. In many respects they still apply today. A drug must, after being administered, reach its target and interact with a biological macromolecule. Specific agents have a large affinity and sufficient selectivity to bind to the macromolecule's active site. This is the only way they can develop the desired biological activity without side-effects.

  7. Enantioselective catalysis with tropos ligands in chiral ionic liquids.

    Science.gov (United States)

    Schmitkamp, Mike; Chen, Dianjun; Leitner, Walter; Klankermayer, Jürgen; Franciò, Giancarlo

    2007-10-21

    Enantioselective homogeneous rhodium-catalysed hydrogenation using tropoisomeric biphenylphosphine ligands was accomplished in readily available chiral ionic liquids and the catalytic system could be reused after extraction with scCO(2).

  8. Synthesis and Catalytic Activity of Two New Cyclic Tetraaza Ligands

    Directory of Open Access Journals (Sweden)

    Burkhard König

    2003-05-01

    Full Text Available Two new chiral cyclic tetraaza ligands were synthesized and characterized. Their catalytic activity was tested in the asymmetric addition of diethylzinc to benzaldehyde. The expected secondary alcohol was obtained in moderate yields, but with very low enantioselectivity.

  9. Ligand Binding to Macromolecules: Allosteric and Sequential Models of Cooperativity.

    Science.gov (United States)

    Hess, V. L.; Szabo, Attila

    1979-01-01

    A simple model is described for the binding of ligands to macromolecules. The model is applied to the cooperative binding by hemoglobin and aspartate transcarbamylase. The sequential and allosteric models of cooperative binding are considered. (BB)

  10. Observations on the ligand selectivity of the melanocortin 2 receptor.

    Science.gov (United States)

    Veo, Kristopher; Reinick, Christina; Liang, Liang; Moser, Emily; Angleson, Joseph K; Dores, Robert M

    2011-05-15

    The melanocortin 2 receptor (MC2R) is unique in terms of ligand selectivity and in vitro expression in mammalian cell lines as compared to the other four mammalian MCRs. It is well established that ACTH is the only melanocortin ligand that can activate the ACTH receptor (i.e., melanocortin 2 receptor). Recent studies have provided new insights into the presence of a common binding site for the HFRW motif common to all melanocortin ligands. However, the activation of the melanocortin 2 receptor requires an additional amino acid motif that is only found in the sequence of ACTH. This mini-review will focus on these two topics and provide a phylogenetic perspective on the evolution of MC2R ligand selectivity.

  11. Unique advantages of organometallic supporting ligands for uranium complexes

    Energy Technology Data Exchange (ETDEWEB)

    Diaconescu, Paula L. [Univ. of California, Los Angeles, CA (United States); Garcia, Evan [Univ. of California, Los Angeles, CA (United States)

    2014-05-31

    The objective of our research project was to study the reactivity of uranium complexes supported by ferrocene-based ligands. In addition, this research provides training of graduate students as the next generation of actinide scientists.

  12. Fluorescent ligand for human progesterone receptor imaging in live cells.

    Science.gov (United States)

    Weinstain, Roy; Kanter, Joan; Friedman, Beth; Ellies, Lesley G; Baker, Michael E; Tsien, Roger Y

    2013-05-15

    We employed molecular modeling to design and then synthesize fluorescent ligands for the human progesterone receptor. Boron dipyrromethene (BODIPY) or tetramethylrhodamine were conjugated to the progesterone receptor antagonist RU486 (Mifepristone) through an extended hydrophilic linker. The fluorescent ligands demonstrated comparable bioactivity to the parent antagonist in live cells and triggered nuclear translocation of the receptor in a specific manner. The BODIPY labeled ligand was applied to investigate the dependency of progesterone receptor nuclear translocation on partner proteins and to show that functional heat shock protein 90 but not immunophilin FKBP52 activity is essential. A tissue distribution study indicated that the fluorescent ligand preferentially accumulates in tissues that express high levels of the receptor in vivo. The design and properties of the BODIPY-labeled RU486 make it a potential candidate for in vivo imaging of PR by positron emission tomography through incorporation of (18)F into the BODIPY core.

  13. Specific activity of radioiodine-labelled human chorionic gonadotropin ligand

    Energy Technology Data Exchange (ETDEWEB)

    Crespi, M. (South African Inst. for Medical Research, Sandringham. National Inst. for Virology); Kay, G.W.; Van der Walt, L.A. (South African Inst. for Medical Research, Johannesburg. Dept. of Pathology)

    1983-10-01

    The article deals with the determination of the specific activity of radioiodine-labelled human chorionic gonadotropin ligand. The iodiation of human chorionic gonadotropin and the counting efficiency of /sup 125/I are discussed.

  14. Steered molecular dynamics simulations of protein-ligand interactions

    Institute of Scientific and Technical Information of China (English)

    XU; Yechun; SHEN; Jianhua; LUO; Xiaomin; SHEN; Xu; CHEN; Ka

    2004-01-01

    Studies of protein-ligand interactions are helpful to elucidating the mechanisms of ligands, providing clues for rational drug design. The currently developed steered molecular dynamics (SMD) is a complementary approach to experimental techniques in investigating the biochemical processes occurring at microsecond or second time scale, thus SMD may provide dynamical and kinetic processes of ligand-receptor binding and unbinding, which cannot be accessed by the experimental methods. In this article, the methodology of SMD is described, and the applications of SMD simulations for obtaining dynamic insights into protein-ligand interactions are illustrated through two of our own examples. One is associated with the simulations of binding and unbinding processes between huperzine A and acetylcholinesterase, and the other is concerned with the unbinding process of α-APA from HIV-1 reverse transcriptase.

  15. CD40 ligand immunotherapy in cancer: an efficient approach.

    Science.gov (United States)

    Kuwashima, N; Kageyama, S; Eto, Y; Urashima, M

    2001-01-01

    Cancer cells do not elicit a clinically sufficient anti-tumor immune response that results in tumor rejection. Recently, many investigators have been trying to enhance anti-tumor immunity and encouraging results have been reported. This review will discuss current anti-cancer immunotherapy; interleukin-2 therapy, tumor vaccine secreting Granulocyte macrophage-colony stimulating factor, dendritic cells fused with tumor cells, and CD40 ligand immunotherapy. Moreover, we introduce our two kinds of CD40 ligand immuno-genetherapy; (1) oral CD40 ligand gene therapy against lymphoma using attenuated Salmonella typhimurium (published in BLOOD 2000), (2) cancer vaccine transfected with CD40 ligand ex vivo for neuroblastoma (unpublished). Both approaches resulted in a high degree of protection against the tumor progression and they are simple and safe in the murine system.

  16. Tetrapyrroles as Endogenous TSPO Ligands in Eukaryotes and Prokaryotes: Comparisons with Synthetic Ligands

    Directory of Open Access Journals (Sweden)

    Leo Veenman

    2016-06-01

    Full Text Available The 18 kDa translocator protein (TSPO is highly 0conserved in eukaryotes and prokaryotes. Since its discovery in 1977, numerous studies established the TSPO’s importance for life essential functions. For these studies, synthetic TSPO ligands typically are applied. Tetrapyrroles present endogenous ligands for the TSPO. Tetrapyrroles are also evolutionarily conserved and regulate multiple functions. TSPO and tetrapyrroles regulate each other. In animals TSPO-tetrapyrrole interactions range from effects on embryonic development to metabolism, programmed cell death, response to stress, injury and disease, and even to life span extension. In animals TSPOs are primarily located in mitochondria. In plants TSPOs are also present in plastids, the nuclear fraction, the endoplasmic reticulum, and Golgi stacks. This may contribute to translocation of tetrapyrrole intermediates across organelles’ membranes. As in animals, plant TSPO binds heme and protoporphyrin IX. TSPO-tetrapyrrole interactions in plants appear to relate to development as well as stress conditions, including salt tolerance, abscisic acid-induced stress, reactive oxygen species homeostasis, and finally cell death regulation. In bacteria, TSPO is important for switching from aerobic to anaerobic metabolism, including the regulation of photosynthesis. As in mitochondria, in bacteria TSPO is located in the outer membrane. TSPO-tetrapyrrole interactions may be part of the establishment of the bacterial-eukaryote relationships, i.e., mitochondrial-eukaryote and plastid-plant endosymbiotic relationships.

  17. Tetrapyrroles as Endogenous TSPO Ligands in Eukaryotes and Prokaryotes: Comparisons with Synthetic Ligands.

    Science.gov (United States)

    Veenman, Leo; Vainshtein, Alex; Yasin, Nasra; Azrad, Maya; Gavish, Moshe

    2016-01-01

    The 18 kDa translocator protein (TSPO) is highly 0conserved in eukaryotes and prokaryotes. Since its discovery in 1977, numerous studies established the TSPO's importance for life essential functions. For these studies, synthetic TSPO ligands typically are applied. Tetrapyrroles present endogenous ligands for the TSPO. Tetrapyrroles are also evolutionarily conserved and regulate multiple functions. TSPO and tetrapyrroles regulate each other. In animals TSPO-tetrapyrrole interactions range from effects on embryonic development to metabolism, programmed cell death, response to stress, injury and disease, and even to life span extension. In animals TSPOs are primarily located in mitochondria. In plants TSPOs are also present in plastids, the nuclear fraction, the endoplasmic reticulum, and Golgi stacks. This may contribute to translocation of tetrapyrrole intermediates across organelles' membranes. As in animals, plant TSPO binds heme and protoporphyrin IX. TSPO-tetrapyrrole interactions in plants appear to relate to development as well as stress conditions, including salt tolerance, abscisic acid-induced stress, reactive oxygen species homeostasis, and finally cell death regulation. In bacteria, TSPO is important for switching from aerobic to anaerobic metabolism, including the regulation of photosynthesis. As in mitochondria, in bacteria TSPO is located in the outer membrane. TSPO-tetrapyrrole interactions may be part of the establishment of the bacterial-eukaryote relationships, i.e., mitochondrial-eukaryote and plastid-plant endosymbiotic relationships.

  18. Novel peptide ligand with high binding capacity for antibody purification

    DEFF Research Database (Denmark)

    Lund, L. N.; Gustavsson, P. E.; Michael, R.

    2012-01-01

    Small synthetic ligands for protein purification have become increasingly interesting with the growing need for cheap chromatographic materials for protein purification and especially for the purification of monoclonal antibodies (mAbs). Today, Protein A-based chromatographic resins are the most ......-aggregated IgG, indicating that the ligand could be used both as a primary purification step of IgG as well as a subsequent polishing step. (C) 2012 Elsevier B.V. All rights reserved....

  19. Predicting protein-ligand affinity with a random matrix framework

    OpenAIRE

    Lee, Alpha Albert; Brenner, MP; Colwell, Lucy Jane

    2016-01-01

    Rapid determination of whether a candidate compound will bind to a particular target receptor remains a stumbling block in drug discovery. We use an approach inspired by random matrix theory to decompose the known ligand set of a target in terms of orthogonal "signals" of salient chemical features, and distinguish these from the much larger set of ligand chemical features that are not relevant for binding to that particular target receptor. After removing the noise caused by finite sampling, ...

  20. Reversible Size Control of Silver Nanoclusters via Ligand-exchange

    KAUST Repository

    Bootharaju, Megalamane Siddaramappa

    2015-05-21

    The properties of atomically monodisperse noble metal nanoclusters (NCs) are intricately intertwined with their precise molecular formula. The vast majority of size-specific NC syntheses start from the reduction of the metal salt and thiol ligand mixture. Only in gold was it recently shown that ligand-exchange could induce the growth of NCs from one atomically precise species to another; a process of yet unknown reversibility. Here, we present a process for the ligand-exchange-induced growth of atomically precise silver NCs, in a biphasic liquid-liquid system, which is particularly of interest because of its complete reversibility and ability to occur at room temperature. We explore this phenomenon in-depth using Ag35(SG)18 [SG= glutathionate] and Ag44(4-FTP)30 [4-FTP= 4-fluorothiophenol] as model systems. We show that the ligand-exchange conversion of Ag35(SG)18 into Ag44(4-FTP)30 is rapid (< 5 min) and direct, while the reverse process proceeds slowly through intermediate cluster sizes. We adapt a recently developed theory of reverse Ostwald ripening to model the NCs’ interconvertibility. The model’s predictions are in good agreement with the experimental observations, and they highlight the importance of small changes in the ligand-metal binding energy in determining the final equilibrium NC size. Based on the insight provided by this model, we demonstrated experimentally that by varying the choice of ligands, ligand-exchange can be used to obtain different sized NCs. The findings in this work establish ligand-exchange as a versatile tool for tuning cluster sizes.