Sample records for garcia gonzalez reaction

  1. Biosourced polymetallic catalysts: an efficient means to synthesize underexploited platform molecules from carbohydrates.

    PubMed

    Escande, Vincent; Olszewski, Tomasz K; Petit, Eddy; Grison, Claude

    2014-07-01

    Polymetallic hyperaccumulating plants growing on wastes from former mining activity were used as the starting material in the preparation of novel plant-based Lewis acid catalysts. The preparation of biosourced Lewis acid catalysts is a new way to make use of mining wastes. These catalysts were characterized by X-ray fluorescence, X-ray diffraction, inductively coupled plasma mass spectrometry, and direct infusion electrospray ionization mass spectrometry. These analyses revealed a complex composition of metal species, present mainly as polymetallic chlorides. The catalysts proved to be efficient and recyclable in a solid-state version of the Garcia Gonzalez reaction, which has been underexploited until now in efforts to use carbohydrates from biomass. This methodology was extended to various carbohydrates to obtain the corresponding polyhydroxyalkyl furans in 38-98% yield. These plant-based catalysts may be a better alternative to classical Lewis acid catalysts that were previously used for the Garcia Gonzalez reaction, such as ZnCl2 , FeCl3 , and CeCl3 , which are often unrecyclable, require aqueous treatments, or rely on metals, the current known reserves of which will be consumed in the coming decades. Moreover, the plant-based catalysts allowed novel control of the Garcia Gonzalez reaction, as two different products were obtained depending on the reaction conditions. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Gonzalez Regimen (PDQ®)—Patient Version

    Cancer.gov

    The Gonzalez regimen is a complex treatment plan based on the role of enzymes, vitamins, minerals, and other dietary factors. The US Food and Drug Administration has not approved the Gonzalez regimen or any of its components as a cancer treatment. Learn more in this expert-reviewed summary.

  3. Gonzalez Regimen (PDQ)

    MedlinePlus

    ... were more active than the rats in the control group , which did not receive the enzyme. Have any ... was how well patients in the Gonzalez regimen group actually followed the ... or control or cure disease. Unlike conventional treatments for cancer, ...

  4. Knoevenagel Reaction of Unprotected Sugars

    NASA Astrophysics Data System (ADS)

    Scherrmann, Marie-Christine

    The Knoevenagel reaction of unprotected sugars was investigated in the 1950s using zinc chloride as promoter. The so-called Garcia Gonzalez reaction had been almost forgotten for 50 years, until the emergence of new water tolerant catalysts having Lewis acid behavior. The reaction was thus reinvestigated and optimal conditions have been found to prepare trihydroxylated furan derivatives from pentose or β-tetrahydrofuranylfuran from hexoses with non-cyclic β-keto ester or β-diketones. Other valuable compounds such as β-linked tetrahydrobenzofuranyl glycosides or hydroxyalkyl-3,3,6,6,-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione can be obtained using cyclic β-dicarbonylic derivatives. Apart from one report in the 1950s, the Knoevenagel reaction of unprotected carbohydrate in basic condition has been studied only in the mid-1980s to prepare C-glycosyl barbiturates from barbituric acids and, later on, from non-cyclic β-diketones, β-C-glycosidic ketones. The efficient method exploited to prepare such compounds has found an industrial development in cosmetics.

  5. Gonzalez Regimen (PDQ®)—Patient Version

    Cancer.gov

    Expert-reviewed information summary about the Gonzalez regimen as a treatment for people with cancer. Note: The information in this summary is no longer being updated and is provided for reference purposes only.

  6. Eric Garcia: Warrior with a Pen

    ERIC Educational Resources Information Center

    Briggs, Judith

    2013-01-01

    Eric Garcia's large-scale oil paintings, drawings, installations, prints, and political cartoons examine versions of American history that have been overlooked and whitewashed. Aware that dominant history reflects a strategy of power, Garcia embraces the confluence of history, culture, and politics to challenge historical mythologies and…

  7. Gonzalez Regimen (PDQ®)—Health Professional Version

    Cancer.gov

    The Gonzalez regimen is a specialized diet that uses enzymes, supplements, and other factors in cancer management. It is based on a theory that involves the use of pancreatic enzymes to help the body get rid of toxins that lead to cancer. Read about existing clinical data in this expert-reviewed summary.

  8. Garcia Development Corp. Information Sheet

    EPA Pesticide Factsheets

    Garcia Development Corp. (the Company) is located in St. Louis, Missouri. The settlement involves renovation activities conducted at properties constructed prior to 1978, located in St. Louis, Missouri.

  9. Antioxidant and antibacterial activity of Litsea garciae

    NASA Astrophysics Data System (ADS)

    Wulandari, I.; Kusuma, I. W.; Kuspradini, H.

    2018-04-01

    Litsea garciae is an evergreen tree growing up to 26 meters tall and useful tropical plant species. This plant have medicinal uses. The lightly burned bark can be used to cure caterpillar sting. The purpose of this study was to analyze the characteristics of secondary metabolite compounds, total phenolic and flavonoid content, antioxidant and antibacterial activity from leaf, bark and branch of L.itsea garciae plant extracts. Antioxidant activity was determined by using free radical method (1,1-diphenyl 2-picrylhydrazyl). Antibacterial activity against Propionibacterium acnes was assayed by 2,3,5-triphenyl tetrazolium chloride method. The sample extracts were obtained using a successive maceration method with n-hexane, ethyl acetate, and ethanol solvent. The result of phytochemical analysis on Litsea garciae extract positive contained several secondary metabolite compounds. Among the three sample extracts, the highest of total phenol content present in all three parts of ethanol extract with a value of 0.9-1.0 μg/mg GAE. The highest total flavonoid content was 10.1 μg/mg CE. The highest antioxidant activity was found in ethyl acetate stem extract (86% ± 0.00) at 100 ppm concentration, with IC50 at 41.54 ppm. The present work showed that L. garciae ethanol extract has potential to inhibit the growth of P. acnes bacteria.

  10. 76 FR 19373 - Cathryn Lyn Chatman (also known as Cathryn Lyn Garcia): Debarment Order

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-07

    ...] Cathryn Lyn Chatman (also known as Cathryn Lyn Garcia): Debarment Order AGENCY: Food and Drug... (also known as Cathryn Lyn Garcia) for 5 years from providing services in any capacity to a person that... Garcia) pleaded guilty to a misdemeanor offense of misbranding a drug. On August 14, 2006, the United...

  11. Speaking Personally--With Gilberto Garcia Batista

    ERIC Educational Resources Information Center

    García, Annette Hestres

    2017-01-01

    This article presents an interview with Gilberto Garcia Batista, who is professor at the University of Pedagogical Sciences. The interview is conducted by Annette Hestres García, a doctoral student at The Pennsylvania State University in the Dual-Title Lifelong Learning and Adult Education/Comparative & International Education and Women's,…

  12. Euthanasia and common sense: a reply to Garcia.

    PubMed

    Seay, Gary

    2011-06-01

    J. L. A. Garcia holds that my defense of voluntary euthanasia in an earlier paper amounts to an "assault on traditional common sense" about what medical ethics permits physicians to do, particularly insofar as I hold that a physician's duty to abstain from intentionally killing is only a defeasible duty, not an unconditional one. But I argue here that it is Garcia's views that are more at odds with common sense, and that voluntary euthanasia is in fact a humane alternative that respects patient autonomy and is consistent with the most fundamental moral duties of physicians. Among these is a duty to relieve suffering, which can sometimes outweigh the fundamental duty to conserve life.

  13. VizieR Online Data Catalog: Tori in AGNs through Spitzer/IRS spectra (Gonzalez-Martin+, 2017)

    NASA Astrophysics Data System (ADS)

    Gonzalez-Martin, O.; Masegosa, J.; Hernan-Caballero, A.; Marquez, I.; Almeida, C. R.; Alonso-Herrero, A.; Aretxaga, I.; Rodriguez-Espinosa, J. M.; Acosta-Pulido, J. A.; Hernandez-Garcia, L.; Esparza-Arredondo, D.; Martinez-Paredes, M.; Bonfini, P.; Pasetto, A.; Dultzin, D.

    2018-01-01

    The sample was originally presented by Gonzalez-Martin+ (2015, J/A+A/578/A74). The LINER sample is selected as those objects with reported X-ray luminosities from Gonzalez-Martin+ (2009A&A...506.1107G) with full coverage of the 5-30um range with the InfraRed Spectrograph (Spitzer/IRS) spectra. This guarantees that all of the LINERs have LX(2-10keV) measurements. Among the 48 LINERs with Spitzer/IRS spectra, 40 mid-infrared spectra were taken from the CASSIS atlas (Lebouteiller+ 2011ApJS..196....8L) and 8 from the SINGS database (Kennicutt+ 2003PASP..115..928K). We have included in our analysis mid-infrared spatially resolved images taken with CanariCam/GTC using the filter "Si6" centered at 11.5um. These observations are part of proprietary data of a sample of faint and Compton-thick LINERs observed with CanariCam/GTC (proposal ID GTC10-14A, P.I. Gonzalez-Martin). The summary of the observations used in this paper is reported in Table 4. See section 3.2 for further explanations. (5 data files).

  14. Education and Globalization: An Environmental Perspective. An Interview with Edgar Gonzalez-Gaudiano.

    ERIC Educational Resources Information Center

    McLaren, Peter L.

    1995-01-01

    Gonzalez-Gaudiano abandoned a professorship at the National Autonomous University of Mexico to tackle environmental education and indigenous education. In this interview, he explains the politics of overpopulation; the unsustainable nature of capitalism; and the interrelationships between environmental justice and human security and among poverty,…

  15. Viewing the Afro-Mexican Female Revolutionary: Francisco Rojas Gonzalez's "La negra Angustias"

    ERIC Educational Resources Information Center

    Kanost, Laura

    2010-01-01

    Francisco Rojas Gonzalez's 1944 novel "La negra Angustias" is recognized as the only novel of the Mexican Revolution that features a black woman military officer. Critics have observed that, although this semi-biographical novel portrays Angustias as a gender nonconformist who seeks justice for women and the poor, the conclusion ushers…

  16. Global Cancer Humanitarian Award

    Cancer.gov

    Pat Garcia-Gonzalez of the Max Foundation accepted the first annual NCI Global Cancer Medicine Humanitarian Award for her work in chronic myeloid leukemia at the NCI, Center for Global Health Symposium for Global Cancer Research, held in Boston on March 25, 2015.

  17. Early-career researchers: an interview with Paloma Gonzalez Bellido.

    PubMed

    2017-12-01

    Paloma Gonzalez Bellido is a Lecturer in the Department of Physiology, Development and Neuroscience at the University of Cambridge, where she investigates insect vision. She received her Bachelor's degree in Marine Biology from the University of Queensland, Australia, before moving to the University of Sheffield for her PhD with Mikko Juusola, which she completed in 2009. Paloma has been awarded a Cozzarelli Prize and her research has been recognised by the Society for Neuroethology and the Society for Experimental Biology. © 2017. Published by The Company of Biologists Ltd.

  18. Hector Garcia Middle School: A School's Design Aspires to Live Up to Its Name

    ERIC Educational Resources Information Center

    Brown, Peter

    2007-01-01

    Brown discusses the history of Hector Garcia, a Mexican immigrant who, as U.S. Army captain, worked diligently to assist minority servicemen in navigating the Veterans Administration, and found the GI Forum. Dr. Garcia's activism, through the Forum, was instrumental in desegregating hospitals, swimming pools, schools and cemeteries. Brown's case…

  19. The Making and Breaking of Language Ideology: Language Ideologies in Spanish Departments

    ERIC Educational Resources Information Center

    Carreira, Maria M.

    2011-01-01

    In their study of language ideology, Valdes, Gonzalez, Lopez Garcia, and Marquez (2003) found evidence of a pervasive monolingualist ideology or "discourse of monolingualism" in college-level Spanish departments. This discourse, which mirrors national language ideologies in the United States, is premised on notions of nationalism, linguistic…

  20. Two Distinct Exploratory Behaviors in Decisions from Experience: Comment on Gonzalez and Dutt (2011)

    ERIC Educational Resources Information Center

    Hills, Thomas T.; Hertwig, Ralph

    2012-01-01

    Gonzalez and Dutt (2011) recently reported that trends during sampling, prior to a consequential risky decision, reveal a gradual movement from exploration to exploitation. That is, even when search imposes no immediate costs, people adopt the same pattern manifest in costly search: early exploration followed by later exploitation. From this…

  1. Pre-clinical and Clinical Development of Low Dose Methamphetamine for the Treatment of Traumatic Brain Injury

    DTIC Science & Technology

    2014-12-01

    Aim 3: Secure FDA approval of a phase I/II clinical trial plan and obtain an amended IND in preparation for initiating human clinical testing in TBI...Neurology 6:193–201. Raineri M, Gonzalez B, Goitia B, Garcia-Rill E, Krasnova IN, Cadet JL, Urbano FJ, Bisagno V. 2012. Modafinil abrogates

  2. Rankings, Standards, and Competition: Task vs. Scale Comparisons

    ERIC Educational Resources Information Center

    Garcia, Stephen M.; Tor, Avishalom

    2007-01-01

    Research showing how upward social comparison breeds competitive behavior has so far conflated local comparisons in "task" performance (e.g. a test score) with comparisons on a more general "scale" (i.e. an underlying skill). Using a ranking methodology (Garcia, Tor, & Gonzalez, 2006) to separate task and scale comparisons, Studies 1-2 reveal that…

  3. Implosion Source Development and Diego Garcia Reflections

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

    Harben, P E; Boro, C

    2001-06-01

    Calibration of hydroacoustic stations for nuclear explosion monitoring is important for increasing monitoring capability and confidence from newly installed stations and from existing stations. Past work at Ascension Island has shown that ship-towed airguns can be effectively used for local calibrations such as sensor location, amplitude and phase response, and T-phase coupling in the case of T-phase stations. At regional and ocean-basin distances from a station, the calibration focus is on acoustic travel time, transmission loss, bathymetric shadowing, diffraction, and reflection as recorded at a particular station. Such station calibrations will lead to an overall network calibration that seeks tomore » maximize detection, location, and discrimination capability of events with acoustic signatures. Active-source calibration of hydroacoustic stations at regional and ocean-basin scales has not been attempted to date, but we have made significant headway addressing how such calibrations could be accomplished. We have developed an imploding sphere source that can be used instead of explosives on research and commercial vessels without restriction. The imploding sphere has been modeled using the Lawrence Livermore National Laboratory hydrodynamic code CALE and shown to agree with field data. The need for boosted energy in the monitoring band (2-100 Hz) has led us to develop a 5-sphere implosion device that was tested in the Pacific Ocean earlier this year. Boosting the energy in the monitoring band can be accomplished by a combination of increasing the implosion volume (i.e. the 5-sphere device) and imploding at shallower depths. Although active source calibrations will be necessary at particular locations and for particular objectives, the newly installed Diego Garcia station in the Indian Ocean has shown that earthquakes can be used to help understand regional blockages and the locations responsible for observed hydroacoustic reflections. We have analyzed several

  4. VizieR Online Data Catalog: Nearby Seyfert galaxies FIR emissions (Garcia-Gonzalez+, 2016)

    NASA Astrophysics Data System (ADS)

    Garcia-Gonzalez, J.; Alonso-Herrero, A.; Hernan-Caballero, A.; Pereira-Santaella, M.; Ramos-Almeida, C.; Acosta-Pulido, J. A.; Diaz-Santos, T.; Esquej, P.; Gonzalez-Martin, O.; Ichikawa, K.; Lopez-Rodriguez, E.; Povic, M.; Roche, P. F.; Sanchez-Portal, M.

    2017-06-01

    We selected a sample of 33 nearby (distances DL<70Mpc, Table 1) Seyfert galaxies from the RSA catalogue (Sandage & Tammann 1987, Cat. VII/51) with Herschel/PACS imaging observations in at least two bands and SPIRE imaging observations from our own programmes and from the archive (see Table 3). (6 data files).

  5. VizieR Online Data Catalog: Warm ISM in the Sagittarius A Complex (Garcia+, 2016)

    NASA Astrophysics Data System (ADS)

    Garcia, P.; Simon, R.; Stutzki, J.; Gusten, R.; Requena-Torres, M. A.; Higgins, R.

    2016-03-01

    Files contain the observations of CI 1-0 and CI 2-1, NII 1-0, and CII 3/2-1/2 observed with Herschel-HIFI and 12CO 4-3 observed with NANTEN2/SMART telescope of the SgrA Complex in the GC. The data analysis was done via GILDAS-CLASS, where raw data are processed to obtain regularly sampled data. ************************* IMPORTANT NOTE ************************ These data sets will be blocked until 31.12.16 as agreed on with the A&A Editor. Access to channel maps of all observed transitions is immediately available in electronic format in the link provided in the paper, https://www.astro.uni-koeln.de/online-data/GarciaPSgrA_AA588/. For contact information refer to Dr. Pablo Garcia e-mail: pgarcia@iram.es ******************************************************************* (1 data file).

  6. Manual versus Automated Rodent Behavioral Assessment: Comparing Efficacy and Ease of Bederson and Garcia Neurological Deficit Scores to an Open Field Video-Tracking System.

    PubMed

    Desland, Fiona A; Afzal, Aqeela; Warraich, Zuha; Mocco, J

    2014-01-01

    Animal models of stroke have been crucial in advancing our understanding of the pathophysiology of cerebral ischemia. Currently, the standards for determining neurological deficit in rodents are the Bederson and Garcia scales, manual assessments scoring animals based on parameters ranked on a narrow scale of severity. Automated open field analysis of a live-video tracking system that analyzes animal behavior may provide a more sensitive test. Results obtained from the manual Bederson and Garcia scales did not show significant differences between pre- and post-stroke animals in a small cohort. When using the same cohort, however, post-stroke data obtained from automated open field analysis showed significant differences in several parameters. Furthermore, large cohort analysis also demonstrated increased sensitivity with automated open field analysis versus the Bederson and Garcia scales. These early data indicate use of automated open field analysis software may provide a more sensitive assessment when compared to traditional Bederson and Garcia scales.

  7. The Necessity of the Literary Tradition: Gabriel Garcia Marquez's "One-Hundred Years of Solitude."

    ERIC Educational Resources Information Center

    Jupp, James C.

    2000-01-01

    Argues that literature from other countries, taught as multicultural literature, must be taught in the context of its own literary tradition in order to provide high-quality academic instruction. Offers an example with Gabriel Garcia Marquez's "One-Hundred Years of Solitude" to show how teaching multicultural literature can live up to…

  8. Survey of Diego Garcia (BIOT) as a Remote Client for Telemedical Services

    DTIC Science & Technology

    1996-05-28

    4.1 4.2 PICASSO Still-Image Phone ........................................................................... 4.1 4.3 Enhanced CU- SeeMe ...PICASSO sites. Page 4.2 CHAPTER FOUR: Current Telemedical Resources on Diego Garcia 4.3 Enhanced CU- SeeMe A Connectix QuickCam digital camera, the latest...White Pine version of Enhanced CU- SeeMe software and a US Robotics 14.4kbps/28.8 kbps modem were provided to the staff of the Health Services

  9. Canonizing Latin American Literature: Gabriel Garcia Marquez and Mario Vargas Llosa Enter the English Curriculum.

    ERIC Educational Resources Information Center

    Cellini, Alva V.

    As Latin American literature progressively enters into the English curriculum, two writers deserve special commentary for their representative contribution to the literary world. Through their works, the Columbian author, Gabriel Garcia Marquez, and the Peruvian author, Mario Vargas Llosa clearly convey the Latin American writer's desire to be…

  10. Dr. Diego Gonzalez Rivas’ trip to the Philippines in November 2015

    PubMed Central

    2016-01-01

    Video-assisted thoracoscopic surgery (VATS) was introduced in the Philippines in 1992. Initially, multiport VATS was utilized for lung resections in 2012. In 2015, after attending a couple of Asian uniportal VATS workshops, where one of the lecturers/surgeons was Dr. Diego Gonzalez-Rivas, Filipino surgeons were able to do uniportal VATS for a lobectomy in 2015. In November 2015, Dr. Rivas went to the Philippines to give lectures and conduct a VATS pre-congress workshop during the 25th Clinical Congress of the Association of Thoracic and Cardiovascular Surgeons of Asia (ATCSA). He then went to the Lung Center of the Philippines (LCP) where he delivered a lecture and performed a uniportal VATS lobectomy on a 64-year-old male patient who had Adenocarcinoma of the left lower lobe. Anesthetic and surgical techniques are described. Uniportal VATS is a safe procedure and oncologic results are comparable with resections done using open thoracotomy. The patients’ quality of life is better because of significantly less pain after the procedure. PMID:29078509

  11. Reconstruction of Mammary Gland Structure Using Three-Dimensional Computer-Based Microscopy

    DTIC Science & Technology

    2001-08-01

    Segmentation of Mammary Gland Ductal Structure Using Geometric Methods. P.l.’s Malladi R . and Ortiz de Solorzano C. Submitted to the LBNL Laboratory...mammary gland biology". Fernandez-Gonzalez, R ., Jones A., Garcia-Rodriguez E., Knowles D., Sudar D. Ortiz de Solorzano, C. Proceedings of Microscopy...the text. 25 3DRcn4rclr FieC4 eto m oosOtosMCUCP suto 5 2 3p4 eto 6 ’lw r 26o W ~Fl. Case Section Area Tools Opt~ons Micoscope

  12. VizieR Online Data Catalog: Globular cluster candidates in NGC4258 (Gonzalez-Lopezlira+, 2017)

    NASA Astrophysics Data System (ADS)

    Gonzalez-Lopezlira, R. A.; Lomeli-Nunez, L.; Alamo-Martinez, K.; Ordenes-Briceno, Y.; Loinard, L.; Georgiev, I. Y.; Munoz, R. P.; Puzia, T. H.; Bruzual, G. A.; Gwyn, S.

    2017-08-01

    All data for the present work were obtained with the Canada-France-Hawaii-Telescope (CFHT). The optical images of NGC 4258 are all archival, and were acquired with MegaCam. Images were originally secured through programs 08BH55, 09AH42, 09AH98, 09BH95 (P.I. E. Magnier, u*-band); 09AC04 (P.I. R. Lasker, u* and i' filters); 10AT01 (P.I. C. Ngeow, g', r', and i' bands), and 11AC08 (P.I. G. Harris, g' and i' data) spanning 2008 Dec to 2011 Mar. The Ks-band images of NGC 4258 were acquired on 2013 March 27 UT, through proposal 13AC98 (P.I. R. Gonzalez-Lopezlira), with the Wide-field InfraRed Camera (WIRCam). (2 data files).

  13. Land, Life, and Security: An Interview with Edgardo Garcia, Secretary General of the Association of Farm Workers in Nicaragua.

    PubMed

    Scammell, Madeleine K; Gonzalez, Marvin

    2016-08-01

    This is an interview with Edgardo Garcia, Secretary General of the Association of Farm Workers in Nicaragua and Oscar Berríos from the Nicaraguan National Engineering University. The interview was conducted in Nicaragua in October 2013. Garcia and Berríos address the importance of organizing among formal workers and informal workers, and the shared conditions of both in Nicaragua. They highlight the history and context of the agricultural workers who began organizing during the national armed revolutionary war, the role of government to create conditions for healthy and safe work, and the need for workers to organize and advocate for themselves. Finally, they highlight the importance of solidarity among workers and the need for alliances with unions and technical assistance providers around the world. © The Author(s) 2016.

  14. Capillaria hepatica infection in black rats (Rattus rattus) on Diego Garcia, British Indian Ocean Territory.

    PubMed

    Berentsen, Are R; Vogt, Scott; Guzman, Antenor N; Vice, Daniel S; Pitt, William C; Shiels, Aaron B; Spraker, Terry R

    2015-03-01

    Rats (Rattus spp.) are among the most damaging invasive species worldwide. The accidental introduction of rats has caused significant detriment to native flora and fauna, crops, structures, and human livelihoods. Rats are vectors of disease and carriers of various zoonotic parasites. Capillaria hepatica (syn. Callodium hepaticum) is a parasitic nematode found primarily in rodents but is known to infect over 140 mammal species, including human beings and several species of domestic animals. In this case study, the presence of C. hepatica infection in black rats on Diego Garcia, British Indian Ocean Territory, is reported. Liver samples from 20 black rats (Rattus rattus) were collected during a concurrent population density estimation study. Histology revealed 15 (75%) of the rats sampled had a current or previous infection with C. hepatica. In addition, a larval cestode compatible in size and shape with Cysticercus fasciolaris, the larval stage of Taenia taeniaeformis of cats, was found in 3 (15%) of the rats sampled. The high prevalence of C. hepatica infection in rats on Diego Garcia has implications for human health given the high population density of rats found on the island. © 2015 The Author(s).

  15. Keith Haring, Felix Gonzalez-Torres, Wolfgang Tillmans, and the AIDS Epidemic: The Use of Visual Art in a Health Humanities Course.

    PubMed

    Smith, Jason A

    2018-02-23

    Contemporary art can be a powerful pedagogical tool in the health humanities. Students in an undergraduate course in the health humanities explore the subjective experience of illness and develop their empathy by studying three artists in the context of the AIDS epidemic: Keith Haring, Felix Gonzalez-Torres, and Wolfgang Tillmans. Using assignments based in narrative pedagogy, students expand their empathic response to pain and suffering. The role of visual art in health humanities pedagogy is discussed.

  16. Comments on Anthony Bruton, Miguel Garcia Lopez, and Raquel Esquiliche Mesa's "Incidental L2 Vocabulary Learning: An Impracticable Term?"

    ERIC Educational Resources Information Center

    Reynolds, Barry Lee

    2012-01-01

    Anthony Bruton, Miguel Garcia Lopez, and Raquel Esquiliche Mesa's "Incidental L2 Vocabulary Learning: An Impracticable Term?" (2011) offers some constructive criticism regarding the conventional terminology used in second language (L2) acquisition research and language pedagogy. Although the author finds much of their evidence reasonable and is…

  17. VizieR Online Data Catalog: NGC 6302 CO emission SHAPE model (Santander-Garcia+, 2017)

    NASA Astrophysics Data System (ADS)

    Santander-Garcia, M.; Bujarrabal, V.; Alcolea, J.; Castro-Carrizo, A.; Sanchez Contreras, C.; Quintana-Lacaci, G.; Corradi, R. L. M.; Neri, R.

    2016-08-01

    SHAPE model of the 12CO and 13CO J=3-2 emission o nebula NGC 6302, to be matched to ALMA observations as described in the paper. The file is intended to be loaded with SHAPE v5 (http://www.astrosen.unam.mx/shape/) and makes use of the SHAPEMOL plugin to achieve the radiative transfer in CO species (i.e. The CO data tables in http://www.astrosen.unam.mx/shape/v5/Downloads/SHAPE_INSTALLERS/index. html must be downloaded and pointed at within SHAPE). For additional details on how to work with SHAPE+SHAPEMOL, see Santander-Garcia et al. (2015, Cat. J/A+A/573/A56). (1 data file).

  18. Quantum dynamics study of H+NH3-->H2+NH2 reaction.

    PubMed

    Zhang, Xu Qiang; Cui, Qian; Zhang, John Z H; Han, Ke Li

    2007-06-21

    We report in this paper a quantum dynamics study for the reaction H+NH3-->NH2+H2 on the potential energy surface of Corchado and Espinosa-Garcia [J. Chem. Phys. 106, 4013 (1997)]. The quantum dynamics calculation employs the semirigid vibrating rotor target model [J. Z. H. Zhang, J. Chem. Phys. 111, 3929 (1999)] and time-dependent wave packet method to propagate the wave function. Initial state-specific reaction probabilities are obtained, and an energy correction scheme is employed to account for zero point energy changes for the neglected degrees of freedom in the dynamics treatment. Tunneling effect is observed in the energy dependency of reaction probability, similar to those found in H+CH4 reaction. The influence of rovibrational excitation on reaction probability and stereodynamical effect are investigated. Reaction rate constants from the initial ground state are calculated and are compared to those from the transition state theory and experimental measurement.

  19. "This Is My Body Which Will Be Given up for You": Federico Garcia Lorca's "Amor de Don Perlimplin" and the "Auto Sacramental" Tradition

    ERIC Educational Resources Information Center

    Badenes, Jose Ignacio

    2009-01-01

    "Amor de Don Perlimplin con Belisa en su jardin" is one of Federico Garcia Lorca's shortest plays as well as one of his deepest. Its theme is love, particularly the interaction between spiritual longing and carnal desire, body and soul, humanity and divinity. These are aspects found in Roman Catholic Eucharistic theology which the…

  20. The advertisement call of Bokermannohyla flavopicta Leite, Pezzuti & Garcia, 2012 (Anura: Hylidae) from the mountains of Chapada Diamantina, Bahia, Brazil.

    PubMed

    Rocha, Pedro Carvalho; Thompson, Julia Resende; Leite, Felipe Sá Fortes; Garcia, Paulo Christiano De Anchietta

    2016-01-07

    Bokermannohyla Faivovich, Haddad, Garcia, Frost, Campbell & Wheeler (2005) is a Brazilian treefrog genus currently composed of 32 species (Brandão et al. 2012; Leite et al. 2012; Frost 2015). The genus comprehends four, putatively monophyletic, species groups: B. circumdata, B. claresignata, B. martinsi, and B. pseudopseudis (sensu Faivovich et al. 2005). The B. pseudopseudis group includes nine species: B. alvarengai (Bokermann 1956), B. flavopicta Leite et al. 2012, B. ibitiguara (Cardoso 1983), B. itapoty Lugli & Haddad 2006a, B. oxente Lugli & Haddad 2006b, B. pseudopseudis (Miranda-Ribeiro 1937), B. sagarana Leite et al. 2011, B. sapiranga Brandão et al. 2012, and B. saxicola (Bokermann 1964).

  1. Violent Star Formation in NGC 2363: Erratum

    NASA Astrophysics Data System (ADS)

    Gonzalez-Delgado, Rosa M.; Perez, Enrique; Tenorio-Tagle, Guillermo; Vilchez, Jose M.; Terlevich, Elena; Terlevich, Roberto; Telles, Eduardo; Rodríguez Espinosa, Jose M.; Mas-Hesse, Miguel; Garcia-Vargas, Maria Luisa; Diaz, Angeles I.; Cepa, Jordi; Castaneda, Hector

    1996-12-01

    In the paper "Violent Star Formation in NGC 2363" by Rosa M. Gonzalez- Delgado, Enrique Perez, Guillermo Tenorio-Tagle, Jose M. Vilchez, Elena Terlevich, Roberto Terlevich, Eduardo Telles, Jose M. Rodriguez-Espinosa, Miguel Mas-Hesse, Maria Luisa Garcia-Vargas, Angeles I. Diaz, Jordi Cepa, and Hector Castaneda (ApJ, 437,239 [1994)), there are three errors in Section 5.4. The Paschen discontinuity in knot A is (0.82 +/- 0.19) x 10^-16^ ergs s^-1^ cm^-2^ A^-1^, the coefficient in the formula in page 258 is 2.445 x 10^11^, and the units in the ordinate axis of Figure 16 are 10^-15^ ergs cm^-2^ s^-1^ A^-1^. These are typographical errors, and they do not affect the determination of the electron temperature using the Paschen jump and the discussion and conclusions in this paper.

  2. [The Arabic influence in the "Colóquios dos simples e drogas da India" of Garcia da Orta].

    PubMed

    Ricordel, Joëlle

    2015-09-01

    The "Colóquios dos simples e drogas he cousas medicinais de Índia" (Conversations on the simples, drugs and medicinal substances of India) (1563) of Garcia da Orta is a botanical and pharmacognosy book. The author is a Portuguese physician who studied in the Spanish universities and practiced medicine mainly in India. He studies in short chapters presented in the form of dialogues about sixty simples. Sources to which he refers are indicative of a "classical" training, but also the mark of a curious and open mind to different cultures. The Arabic sources are numerous and mainly concern the identification of substances by abundant synonyms of their names in foreign languages and different medicinal uses that may have been done by the ancient physicians. However, Da Orta is critical with respect to these sources, seeking contradictions and differences of opinion among authors. He confronts them with the oral information collected thanks to a wide network of contacts.

  3. The Conversion of Starch and Sugars into Branched C10 and C11 Hydrocarbons.

    PubMed

    Sutton, Andrew D; Kim, Jin K; Wu, Ruilian; Hoyt, Caroline B; Kimball, David B; Silks, Louis A; Gordon, John C

    2016-09-08

    Oligosaccharides, such as starch, cellulose, and hemicelluloses, are abundant and easily obtainable bio-derived materials that can potentially be used as precursors for fuels and chemical feedstocks. To access the pertinent molecular building blocks (i.e., 5- or 6-carbon containing sugar units) located within these biopolymers and transform them into useful fuel precursors, oligosaccharide depolymerization followed by chain extension is required. This chain extension can readily be performed via a Garcia-Gonzalez-like approach using β-diketones under mild conditions to provide fuel precursors containing an increased carbon atom content that meets fuel requirements. In a subsequent step, ring opening and hydrodeoxygenation chemistry of these species allows for the preparation of branched alkanes under relatively mild conditions. This approach can be applied to monomeric sugars (glucose and xylose), oligosaccharides (starch), and potentially to hydrolyzed dedicated energy crops to allow the conversion of real biomass into fuel type molecules. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. A METHODOLOGY FOR THE EVALUATION OF PROCESS SUSTAINABILITY

    EPA Science Inventory

    The twelve principles of green chemistry (Anastas and Warner, 1998) provide a foundation and pathway which allows researchers to incorporate greenness into existing reactions or when developing new technologies. Research from our laboratory (Gonzalez and Becker, 2002) has adopted...

  5. [Prevalence of reactions secundary to mosquito bites Aedes aegypti at en el Regional Center of Allergy and Clinical Immunology, University Hospital, de Monterrey, Nuevo Leon].

    PubMed

    González Diaz, Sandra Nora; Cruz, Alfredo Arias; Sedó Mejía, Giovanni A; Rojas Lozano, Antonio A; Valenzuela, Enrique Avitia; Vidaurri Ojeda, Alma C

    2010-01-01

    although systemic reactions resulting from hymenoptera stings have been studied extensively, the prevalence of allergic reactions to mosquitoes is unknown. to investigate the prevalence of allergic reactions to Aedes aegypti bites in patients seeking treatment at the Allergy and Clinical Immunology Regional Center of Jose E Gonzalez University Hospital in Monterrey, Mexico. we carried out a cross-sectional, descriptive study that included patients receiving skin tests for aeroallergens; skin sensitivity to mosquito bites was also tested. A questionnaire was used to obtain information about previous allergic reactions to mosquito bites. a total of 482 patients between 2 and 60 years of age were included; 53% were female, 407 (84.4%) had a history of local reactions to mosquito bites. Twelve patients (2.4%) stated a history of large local reaction; three (0.6%) of them with a positive skin prick test, one (0.2%) of those had systemic reaction history to mosquito. Eighty five (17.6%) patients had a positive mosquito skin test and 307 (63.6%) had a positive skin test for at least one aeroallergen. Seventy-eight (91.7%) of the 85 patients with a positive mosquito skin test had a history of local skin reactions to mosquito bite (odds ratio: 2.303 [confidence interval (CI) 1.037-5.10]. There was no statistically significance association between allergic diseases and mosquito allergy. adverse reactions and allergic reactions to mosquito bites occur frequently. However mosquito allergy is low. Further studies are required to determine the prevalence of mosquito allergy in the general population.

  6. Direct Density Functional Energy Minimization using an Tetrahedral Finite Element Grid

    NASA Astrophysics Data System (ADS)

    Vaught, A.; Schmidt, K. E.; Chizmeshya, A. V. G.

    1998-03-01

    We describe an O(N) (N proportional to volume) technique for solving electronic structure problems using the finite element method (FEM). A real--space tetrahedral grid is used as a basis to represent the electronic density, of a free or periodic system and Poisson's equation is solved as a boundary value problem. Nuclear cusps are treated using a local grid consisting of radial elements. These features facilitate the implementation of complicated energy functionals and permit a direct (constrained) energy minimization with respect to the density. We demonstrate the usefulness of the scheme by calculating the binding trends and polarizabilities of a number of atoms and molecules using a number of recently proposed non--local, orbital--free kinetic energy functionals^1,2. Scaling behavior, computational efficiency and the generalization to band--structure will also be discussed. indent 0 pt øbeylines øbeyspaces skip 0 pt ^1 P. Garcia-Gonzalez, J.E. Alvarellos and E. Chacon, Phys. Rev. B 54, 1897 (1996). ^2 A. J. Thakkar, Phys.Rev.B 46, 6920 (1992).

  7. SANTA LUCIA WILDERNESS, AND GARCIA MOUNTAIN, BLACK MOUNTAIN, LA PANZA, MACHESNA MOUNTAIN, LOS MACHOS HILLS, BIG ROCKS, AND STANLEY MOUNTAIN ROADLESS AREAS, CALIFORNIA.

    USGS Publications Warehouse

    Frizzell, Virgil A.; Kuizon, Lucia

    1984-01-01

    The Santa Lucia Wilderness Area and Garcia Mountain, Black Mountain, La Panza, Machesna Mountain, Los Machos Hills, Big Rocks, and Stanley Mountain Roadless Areas together occupy an area of about 218 sq mi in the Los Padres National Forest, California. On the basis of a mineral-resource evaluation a small area in the Black Mountain Roadless Area has a probable mineral-resource potential for uranium, and a small area in the Stanley Mountain Roadless Area has probable potential for low-grade mercury resources. Although petroleum resources occur in rocks similar to those found in the study area, no potential for petroleum resources was identified in the wilderness or any of the roadless areas. No resource potential for other mineral resources was identified in any of the areas. Detailed geologic mapping and geochemical sampling probably would increase knowledge about distribution and modes of occurrence of uranium and cinnabar in those areas, respectively.

  8. GREEN CATALYZED OXIDATION OF HYDROCARBONS IN ALTERNATIVE SOLVENT SYSTEMS GENERATED BY PARIS II DECHEMA; GREEN SOLVENTS FOR CATALYSIS - ENVIRONMENTALLY BENIGN REACTION MEDIA

    EPA Science Inventory

    Green catalyzed oxidation of hydrocarbons in alternative solvent systems generated by PARIS II
    Thomas M. Becker, Michael A. Gonzalez, Paul F. Harten; Sustainable Technology Division, Office of Research and Development; United States Environmental Protection Agency, 26 West Mar...

  9. Circular geodesic of Bardeen and Ayon-Beato-Garcia regular black-hole and no-horizon spacetimes

    NASA Astrophysics Data System (ADS)

    Stuchlík, Zdeněk; Schee, Jan

    2015-12-01

    In this paper, we study circular geodesic motion of test particles and photons in the Bardeen and Ayon-Beato-Garcia (ABG) geometry describing spherically symmetric regular black-hole or no-horizon spacetimes. While the Bardeen geometry is not exact solution of Einstein's equations, the ABG spacetime is related to self-gravitating charged sources governed by Einstein's gravity and nonlinear electrodynamics. They both are characterized by the mass parameter m and the charge parameter g. We demonstrate that in similarity to the Reissner-Nordstrom (RN) naked singularity spacetimes an antigravity static sphere should exist in all the no-horizon Bardeen and ABG solutions that can be surrounded by a Keplerian accretion disc. However, contrary to the RN naked singularity spacetimes, the ABG no-horizon spacetimes with parameter g/m > 2 can contain also an additional inner Keplerian disc hidden under the static antigravity sphere. Properties of the geodesic structure are reflected by simple observationally relevant optical phenomena. We give silhouette of the regular black-hole and no-horizon spacetimes, and profiled spectral lines generated by Keplerian rings radiating at a fixed frequency and located in strong gravity region at or nearby the marginally stable circular geodesics. We demonstrate that the profiled spectral lines related to the regular black-holes are qualitatively similar to those of the Schwarzschild black-holes, giving only small quantitative differences. On the other hand, the regular no-horizon spacetimes give clear qualitative signatures of their presence while compared to the Schwarschild spacetimes. Moreover, it is possible to distinguish the Bardeen and ABG no-horizon spacetimes, if the inclination angle to the observer is known.

  10. The {sup 17}F(p,{gamma}){sup 18}Ne3{sup +} resonance state studied with the {sup 16}O({sup 3}He,n){sup 18}Ne reaction

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

    Parpottas, Y.; Grimes, S.M.; Brune, C.R.

    2005-08-01

    The astrophysically important 3{sup +} resonance of the {sup 17}F(p,{gamma}){sup 18}Ne reaction has been studied with the {sup 16}O({sup 3}He,n){sup 18}Ne reaction. High-resolution measurements were carried out for three different kinematic configurations. We find an excitation energy of 4527(4) keV and a proton width of 17(4) keV for the 3{sup +} state. Measured differential cross sections were compared with Hauser-Feshbach predictions to assign the spin of the 4527-keV state and confirm the spin assignments of the two known levels in this region. Our results differ from the earlier {sup 16}O({sup 3}He,n){sup 18}Ne findings of Garcia et al. [Phys. Rev. Cmore » 43, 2012 (1991)], but they agree well with the {sup 17}F(p,p){sup 17}F measurements of Bardayan et al. [Phys. Rev. C 62, 055804 (2002)].« less

  11. Three-Dimensional Control of Self-Assembled Quantum Dot Configurations

    DTIC Science & Technology

    2010-06-17

    Lateral Quantum Dot Molecules Around Self-Assembled Nanoholes . Appl. Phys. Lett. 2003, 82, 2892–2894. 7. Alonso-Gonzalez, P.; Martin-Sanchez, J.; Gonzalez...Y.; Alen, B.; Fuster, D.; Gonzalez, L. Formation of Lateral Low Density In(Ga)As Quantum Dot Pairs in GaAs Nanoholes . Cryst. Growth Des. 2009, 9

  12. SU-E-T-35: A General Fill Factor Definition Serving to Characterise the MLC Misalignment Detection Capabilities of Two-Dimensional Detector Arrays

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

    Stelljes, T.S.; Looe, H.K.; Poppe, B.

    Purpose: To present a general definition of the fill factor realistically characterizing the “field coverage”, i.e. the MLC misalignment detection capabilities of a detector array. Methods: According to Gago-Arias et al.{sup 1} the fill factor of a 2D array is defined as the ratio of the area enclosed by the FWHM of the fluence response function KM(x) of a single detector and its cell area defined by the detector spacing. More generally - accounting also for the possible overlap between FWHM’s of neighboured detectors - the fill factor is here defined as that fraction of the sum of the detectormore » cell areas in which a defined MLC misalignment is detectable when the induced percentage signal changes exceed a detection threshold d. Ideally the generalized fill factor may reach 100 %. With user code EGS-chamber and a 2 MeV photon slit beam 0.25 mm wide, both types of the fill factor were calculated for an array with total cell area 100 cm{sup 2} for chamber widths 1–9 mm, using =1mm, d=5%. Results: For single chamber width 5 mm, fill factors were 0.49 (FWHM) and 0.61 (generalized). For chamber width 2 mm the FWHM fill factor was 0.13 whereas the generalized fill factor was 0.32. For chamber widths above 7 mm, the FWHM fill factor exceeds unity, and the general fill factor is exactly 1.00. Conclusions: An updated fill factor definition is introduced which, as a generalization of the FWHM-based definition, more closely estimates the performance of small array chambers and gives a realistic value in the case of overlapping sensitive areas of neighboured chambers. References:{sup 1}A. Gago-Arias, L. Brualla-Gonzalez, D.M. Gonzalez-Castano, F. Gomez, M.S. Garcia, V.L. Vega, J.M. Sueiro, J. Pardo-Montero, “Evaluation of chamber response function influence on IMRT verification using 2D commercial detector arrays,” Phys. Med. Biol. 57, 2005–2020 (2012)« less

  13. Vitrinite reflectance data for the Greater Green River basin, southwestern Wyoming, northwestern Colorado, and northeastern Utah

    USGS Publications Warehouse

    Pawlewicz, Mark J.; Finn, Thomas M.

    2002-01-01

    The Greater Green River Basin is a large Laramide (Late Cretaceous through Eocene) structural and sedimentary basin that encompasses about 25,000 square miles in southwestern Wyoming, northwestern Colorado, and northeastern Utah (fig. 1). Important conventional oil and gas resources have been discovered and produced from reservoirs ranging in age from Cambrian through Tertiary (Law, 1996). In addition, an extensive overpressured basin - centered gas accumulation has also been identified in Cretaceous and Tertiary reservoirs by numerous researchers including Law (1984a, 1996), Law and others (1980, 1989), McPeek (1981), and Spencer (1987). The purpose of this report is to present new vitrinite reflectance data to be used in support of the U.S Geological Survey assessment of undiscovered oil and gas resources of the Greater Green River Basin. One hundred eighty-six samples were collected from Cretaceous and Tertiary coalbearing strata (figs. 1 and 2) in an effort to better understand and characterize the thermal maturation and burial history of potential source rocks. Two samples were from core, one from outcrop, and the remainder from well cuttings. These data were collected to supplement previously published data by Law (1984b), Pawlewicz and others (1986), Merewether and others (1987), and Garcia-Gonzalez and Surdam (1995) and are presented in table 1.

  14. Subcutaneous (SQ) injections

    MedlinePlus

    ... education/pepubs/subq.pdf . Accessed January 2, 2018. Smith SF, Duell DJ, Martin BC, Gonzalez L, Aebersold M. Medication administration. In: Smith SF, Duell DJ, Martin BC, Gonzalez L, Aebersold ...

  15. Optimized Hyperthermia Treatment of Prostate Cancer Using a Novel Intracavitary Ultrasound Array

    DTIC Science & Technology

    2006-01-01

    Overgaard J, Gonzalez GD, Hulshof MC, Arcangeli G, Dahl O, Mella O, et al. 1995. Randomised trial of hyperthermia as adjuvant to radiotherapy for...Gonzalez, G. D., Hulshof , M. C., Arcangeli, G., Dahl, O., Mella, O., and Bentzen, S. M., "Hyperthermia as an adjuvant to radiation therapy of recurrent or...25 pp. 79-85, 1993. 9. Overgaard, J., Gonzalez, G. D., Hulshof , M. C., Arcangeli, G., Dahl, O., Mella, O., and Bentzen, S. M.: Hyperthermia as an

  16. Biomechanical Factors in the Etiology of Tibial Stress Fractures

    DTIC Science & Technology

    2002-08-01

    structures will control the kinematics of the runner. A "stiff runner will spend less time in contact with the ground (Farley and Gonzalez, 1996 ) and will...a SF are in agreement with Farley and Gonzalez ( 1996 ) and suggest that lower extremity stiffness and knee kinematics are highly correlated and may...stressfracture in male runners. Med Sei Sports Exercise 31(8), 1088-1093. Farley CT, Gonzalez O. ( 1996 ) Leg stiffness and stride frequency in human running. J

  17. 77 FR 64989 - Notice of Administrative Settlement Agreement for Recovery of Past Response Costs Pursuant to the...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-10-24

    ... of the Proposed Agreement may be obtained from Jefferie E. Garcia (3RC42), Senior Assistant Regional... forwarded to Jefferie E. Garcia at the above address. FOR FURTHER INFORMATION CONTACT: Jefferie E. Garcia...-2697; garcia[email protected] . Dated: October 17, 2012. Ronald Borsellino, Director, Hazardous Site...

  18. Turning patients over in bed

    MedlinePlus

    ... 25732278 www.ncbi.nlm.nih.gov/pubmed/25732278 . Smith SF, Duell DJ, Martin BC, Gonzalez L, Aebersold M. Body mechanics and positioning. In: Smith SF, Duell DJ, Martin BC, Gonzalez L, Aebersold ...

  19. Peripherally inserted central catheter - insertion

    MedlinePlus

    ... ed. Philadelphia, PA: Elsevier Saunders; 2014:chap 26. Smith SF, Duell DJ, Martin BC, Gonzalez L, Aebersold M. Central vascular access devices. In: Smith SF, Duell DJ, Martin BC, Gonzalez L, Aebersold ...

  20. Bathing a patient in bed

    MedlinePlus

    ... ed. American National Red Cross; 2013:chap 13. Smith SF, Duell DJ, Martin BC, Gonzalez L, Aebersold M. Bathing, bedmaking, and maintaining skin integrity. In: Smith SF, Duell DJ, Martin BC, Gonzalez L, Aebersold ...

  1. Seeking Justice in San Francisco

    ERIC Educational Resources Information Center

    Pascopella, Angela

    2010-01-01

    This article discusses the life of Carlos A. Garcia, superintendent at the San Francisco Unified School District. Garcia was born in Chicago, but his parents shortly thereafter moved back to their homeland of Mexico for a few years. When Garcia was almost 5, his family moved to Los Angeles, where his parents worked in factories and Garcia was…

  2. Reactions of Ions with Ionic Liquid Vapors by Selected-Ion Flow Tube Mass Spectrometry

    DTIC Science & Technology

    2011-03-04

    Internet at http://pubs.acs.org. References (1) Emel’yanenko, V. N.; Verevkin, S. P.; Heintz, A.; Corfield, J.-A.; Deyko, A.; Lovelock , K. R. J...Spectrometry, and ab Initio Calculations J. Phys. Chem. B 2008, 112, 11734-11742. (2) Lovelock , K. R. J.; Deyko, A.; Licence, P.; Jones, R. G. Vaporisation of...Licence, P.; Lovelock , K. R. J.; Satterly, C. J.; Villar-Garcia, I. J. Vapourisation of ionic liquids PCCP 2007, 9, 982-990. (14) Chiu, Y.-H

  3. The impact of large-scale circulation patterns on summer crop yields in IP

    NASA Astrophysics Data System (ADS)

    Capa Morocho, Mirian; Rodríguez Fonseca, Belén; Ruiz Ramos, Margarita

    2014-05-01

    Large-scale circulations patterns (ENSO, NAO) have been shown to have a significant impact on seasonal weather, and therefore on crop yield over many parts of the world(Garnett and Khandekar, 1992; Aasa et al., 2004; Rozas and Garcia-Gonzalez, 2012). In this study, we analyze the influence of large-scale circulation patterns and regional climate on the principal components of maize yield variability in Iberian Peninsula (IP) using reanalysis datasets. Additionally, we investigate the modulation of these relationships by multidecadal patterns. This study is performed analyzing long time series of maize yield, only climate dependent, computed with the crop model CERES-maize (Jones and Kiniry, 1986) included in Decision Support System for Agrotechnology Transfer (DSSAT v.4.5). To simulate yields, reanalysis daily data of radiation, maximum and minimum temperature and precipitation were used. The reanalysis climate data were obtained from National Center for Environmental Prediction (20th Century and NCEP) and European Centre for Medium-Range Weather Forecasts (ECMWF) data server (ERA 40 and ERA Interim). Simulations were run at five locations: Lugo (northwestern), Lerida (NE), Madrid (central), Albacete (southeastern) and Córdoba (S IP) (Gabaldón et al., 2013). From these time series standardized anomalies were calculated. Afterwards, time series were time filtered to focus on the interannual-to-multiannual variability, splitting up in two components: low frequency (LF) and high frequency (HF) time scales. The principal components of HF yield anomalies in IP were compared with a set of documented patterns. These relationships were compared with multidecadal patterns, as Atlanctic Multidecadal Oscillations (AMO) and Interdecadal Pacific Oscillations (IPO). The results of this study have important implications in crop forecasting. In this way, it may have a positive impact on both public (agricultural planning) and private (decision support to farmers, insurance

  4. Status of ground-water resources at U.S. Navy Support Facility, Diego Garcia; summary of hydrologic and climatic data, 1991-93

    USGS Publications Warehouse

    Torikai, J.D.

    1995-01-01

    This report contains hydrologic and climatic data that describe the status of ground-water resources at U.S. Navy Support Facility, Diego Garcia. Data are presented from January 1991 through December 1993. This report concentrates on data from fourth quarter 1993, and references historic data from 1991 and 1992. Total rainfall for 1993 was 95 inches which is 10 percent below the mean annual rainfall of 106 inches. In comparison, total rainfalls in 1992 and 1991 were 93 inches and 130 inches, respectively. Ground-water withdrawal has averaged 954,000 gallons per day during 1993, while with- drawals in 1992 and 1991 averaged 936,000 gallons per day and 927,000 gallons per day, respectively. In each of the five areas of ground-water produc- tion, withdrawals have remained steady since 1991. At the end of December 1993, the chloride concen- tration of the composite water supply was 36 milligrams per liter, well below the 250 milligrams per liter secondary drinking water standard established by the U.S. Environmental Protection Agency. Chloride concentrations of the composite water supply during the last quarter (October through December 1993) ranged between 35 and 75 milligrams per liter. Chloride concentrations in monitoring wells at Cantonment and Air Operations decreased during the last quarter (October through December 1993) after having risen progressively during the previous quarter (July through September 1993). There has been a general trend of increasing chloride concentrations in the deeper monitoring wells since the 1992 dry season, which began in March 1992. A fuel spill at Air Operations caused the shutdown of ten wells in May 1991. Four of the wells resumed pumping for water supply purposes in April 1992. The remaining six wells are being used to hydraulically contain and divert fuel migration.

  5. Describe Your Favorite Teacher.

    ERIC Educational Resources Information Center

    Dill, Isaac; Dill, Vicky

    1993-01-01

    A third grader describes Ms. Gonzalez, his favorite teacher, who left to accept a more lucrative teaching assignment. Ms. Gonzalez' butterflies unit covered everything from songs about social butterflies to paintings of butterfly wings, anatomy studies, and student haiku poems and biographies. Students studied biology by growing popcorn plants…

  6. A Critical Examination of Diverse Students' Funds of Knowledge Inclusion in High School Mathematics: A Mixed Methods Study

    ERIC Educational Resources Information Center

    McNeil, Celethia Keith

    2015-01-01

    This study characterizes teaching practices that involve students' funds of knowledge ([FoK], Gonzalez, 1995; Moll, 1992; Moll, Amanti, Neff, & Gonzalez, 1992). FoK may be defined as bodies of knowledge, skills, language, and experiences found in students' homes and communities for potential use in formal learning. I investigated how high…

  7. 78 FR 77769 - Data Collection Available for Public Comments

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-24

    ... comments to Amy Garcia, Program Analyst, Office of Government Contracting, Small Business Administration, 409 3rd Street, 7th Floor, Washington, DC 20416. FOR FURTHER INFORMATION CONTACT: Amy Garcia, Program Analyst, 202-205- 6842, amy.garcia@sba.gov , or Curtis B. Rich, Management Analyst, 202- 205-7030, curtis...

  8. Determination of Patients’ Breast Tumor-Specific Immunity and Its Enhancement with In Vitro Stimulation and Gene Therapy

    DTIC Science & Technology

    1998-03-01

    cancer therapy. Am. J. Clin. Oncol., 22:368-380. Overgaard, J., Gonzalez Gonzalez, D., Hulshof , M.C.C.M., Arcangeli, G., Dahl, O., Mella, O., and... Hulshof , M.C.C.M., Arcangeli, G., Dahl, O., Mella, O., and Bentzen, S.M. (1996) Hyperthermia as an adjuvant to radiation therapy of recurrent or

  9. 75 FR 1662 - Small Business Size Standards: Waiver of the Nonmanufacturer Rule

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-01-12

    ... Garcia, Program Analyst, U.S. Small Business Administration, Office of Government Contracting, 409 3rd Street, SW., Suite 8800, Washington, DC 20416. FOR FURTHER INFORMATION CONTACT: Amy Garcia, by telephone at (202) 205- 6842; by FAX at (202) 481-1630; or by e-mail at Amy.garcia@sba.gov . SUPPLEMENTARY...

  10. 77 FR 49795 - Notice of Administrative Settlement Agreement for Recovery of Past Response Costs Pursuant to the...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-08-17

    ..., Philadelphia, PA 19103. A copy of the Proposed Agreement may be obtained from Jefferie E. Garcia (3RC42... should be forwarded to Jefferie E. Garcia at the above address. FOR FURTHER INFORMATION CONTACT: Jefferie E. Garcia (3RC42), U.S. Environmental Protection Agency, 1650 Arch Street, Philadelphia, PA 19103...

  11. On the ability of the Viking gas chromatograph-mass spectrometer to detect organic matter.

    PubMed

    Biemann, Klaus

    2007-06-19

    A recent paper by Navarro-Gonzalez et al. [Navarro-Gonzalez R, Navarro KF, de la Rosa J, Iniguez E, Molina P, Miranda LD, Morales P, Cienfuegos E, Coll P, Raulin F, et al. (2006) Proc Natl Acad Sci USA 103:16089-16094] claims to show that the Viking GCMS (gas chromatograph-mass spectrometer) experiment, which carried out a search for organic matter at the surface of Mars in 1976, "may have been blind to low levels of organics." To rebut this assertion, the Viking experiment, test data, and results on Mars are reviewed, and the fallacies in the design, execution, and interpretation of the new experiments presented by Navarro-Gonzalez et al. are critically examined.

  12. Numerical Representations and Intuitions of Probabilities at 12 Months

    ERIC Educational Resources Information Center

    Téglás, Erno; Ibanez-Lillo, Alexandra; Costa, Albert; Bonatti, Luca L.

    2015-01-01

    Recent research shows that preverbal infants can reason about single-case probabilities without relying on observed frequencies, adapting their predictions to relevant dynamic parameters of the situation (Téglás, Vul, Girotto, Gonzalez, Tenenbaum & Bonatti, [Téglás, E., 2011]; Téglás, Girotto, Gonzalez & Bonatti, [Téglás, E., 2007]). Here…

  13. 75 FR 13330 - Bureau of Political-Military Affairs; Statutory Debarment Under the Arms Export Control Act and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-03-19

    .... District Court, Southern District of Texas, Case 7:08CR01610-001. (24) Reynol Garcia, June 12, 2009, U.S... Quilantan-Garcia, December 9, 2009, U.S. District Court, Southern District of Texas, Case 7:09CR00874-001... Texas, Case 7:09CR01019- 001. (28) Roberto Carlos Garcia-Salazar, January 31, 2009, U.S. District Court...

  14. Are the Guerrillas Gone? A Historical Political Economy and Social Analysis of the Rise and Demise of the Fuerzas Armadas Revolucionarias Colombianas (FARC), 1964-2010

    DTIC Science & Technology

    2009-12-01

    23 B. PLAN FOR PEACE WHILE PREPARING FOR WAR—THE PASTRANA ADMINISTRATION...in Santa fé de Bogotá, a group of native Colombians, asked for the loan of a vase from the Spaniard Jose Gonzalez Llorente. Gonzalez Llorente...Camilo Torres. With the victory against Spain, Simon Bolivar was declared president of the Republic of Gran Colombia and Francisco de Paula Santander

  15. On the ability of the Viking gas chromatograph–mass spectrometer to detect organic matter

    PubMed Central

    Biemann, Klaus

    2007-01-01

    A recent paper by Navarro-Gonzalez et al. [Navarro-Gonzalez R, Navarro KF, de la Rosa J, Iniguez E, Molina P, Miranda LD, Morales P, Cienfuegos E, Coll P, Raulin F, et al. (2006) Proc Natl Acad Sci USA 103:16089–16094] claims to show that the Viking GCMS (gas chromatograph–mass spectrometer) experiment, which carried out a search for organic matter at the surface of Mars in 1976, “may have been blind to low levels of organics.” To rebut this assertion, the Viking experiment, test data, and results on Mars are reviewed, and the fallacies in the design, execution, and interpretation of the new experiments presented by Navarro-Gonzalez et al. are critically examined. PMID:17548829

  16. Activation of Two Sequential H-transfers in the Thymidylate Synthase Catalyzed Reaction

    PubMed Central

    Islam, Zahidul; Strutzenberg, Timothy S.; Ghosh, Ananda K.; Kohen, Amnon

    2015-01-01

    Thymidylate synthase (TSase) catalyzes the de novo biosynthesis of thymidylate, a precursor for DNA, and is thus an important target for chemotherapeutics and antibiotics. Two sequential C-H bond cleavages catalyzed by TSase are of particular interest: a reversible proton abstraction from the 2′-deoxy-uridylate substrate, followed by an irreversible hydride transfer forming the thymidylate product. QM/MM calculations of the former predicted a mechanism where the abstraction of the proton leads to formation of a novel nucleotide-folate intermediate that is not covalently bound to the enzyme (Wang, Z.; Ferrer, S.; Moliner, V.; Kohen, A. Biochemistry 2013, 52, 2348–2358). Existence of such intermediate would hold promise as a target for a new class of drugs. Calculations of the subsequent hydride transfer predicted a concerted H-transfer and elimination of the enzymatic cysteine (Kanaan, N.; Ferrer, S.; Marti, S.; Garcia-Viloca, M.; Kohen, A.; Moliner, V. J. Am. Chem. Soc. 2011, 133, 6692–6702). A key to both C-H activations is a highly conserved arginine (R166) that stabilizes the transition state of both H-transfers. Here we test these predictions by studying the R166 to lysine mutant of E. coli TSase (R166K) using intrinsic kinetic isotope effects (KIEs) and their temperature dependence to assess effects of the mutation on both chemical steps. The findings confirmed the predictions made by the QM/MM calculations, implicate R166 as an integral component of both reaction coordinates, and thus provide critical support to the nucleotide-folate intermediate as a new target for rational drug design. PMID:26576323

  17. HLA-A, -B, -C, -DRB1 and -DQB1 alleles and haplotypes in 951 Southeast Asia Malays from Peninsular Malaysia.

    PubMed

    Tan, Lay-Kim; Mohd-Farid, Baharin; Salsabil, Sulaiman; Heselynn, Hussein; Wahinuddin, Sulaiman; Lau, Ing-Soo; Gun, Suk-Chyn; Nor-Suhaila, Sharil; Eashwary, M; Mohd-Shahrir, Mohamed Said; Ainon, Mohd-Mokhtar; Azmillah, Rosman; Muhaini, Othman; Shahnaz, Murad; Too, Chun-Lai

    2016-10-01

    A total of 951 Southeast Asia Malays from Peninsular Malaysia were genotyped for HLA-A, -B, -C -DRB1, and -DQB1 loci using polymerase chain reaction sequence-specific oligonucleotide probe hybridization methods. In this report, there were significant deviation from Hardy-Weinberg proportions for the HLA-A (p<0.0001), -B (p<0.0001), -DRB1 (p<0.0001) and -DQB1 (p<0.01) loci. Minor deviations from HWEP were detected for HLA-C (p=0.01). This genotype data was available in Allele Frequencies Network Database (AFND) Gonzalez-Galarza et al. (2015). Copyright © 2016. Published by Elsevier Inc.

  18. The role of the CN vibration in the activated dynamics of LiNC<−>LiCN isomerization in an argon solvent at high temperatures.

    PubMed

    Garcia-Muller, Pablo L; Hernandez, Rigoberto; Benito, R M; Borondo, F

    2014-08-21

    The isomerization between CN-Li and Li-CN in an argon bath provides a paradigmatic example of a reaction in a solvent with tunable coupling. In previous work, we found that the rates exhibited a turnover with the density of the argon bath in the limit that the CN bond was held fixed [P. L. Garcia-Muller, R. Hernandez, R. M. Benito, and F. Borondo, J. Chem. Phys. 137, 204301 (2012)]. Here, we report the effect of the CN bond vibration on the dynamics and the persistence of the turnover. As hypothesized earlier, the CN bond is indeed weakly coupled with the reaction path despite the presence of the argon cage.

  19. Integrating Trends in Decision-Making Research

    DTIC Science & Technology

    2016-03-01

    Address correspondence to Cleotilde Gonzalez, Department of Social and Decision Sciences, Dynamic Decision Making Lab, Carnegie Mellon University...Cleotilde Gonzalez, Carnegie Mellon University, and Joachim Meyer, Tel-Aviv University Journal of Cognitive Engineering and Decision Making 201X, Volume XX...Number X, Month 2016, pp. 1 –3 DOI: 10.1177/1555343416655256 Copyright © 2016, Human Factors and Ergonomics Society. at CARNEGIE MELLON UNIV LIBRARY

  20. Evaluation of Efficient XML Interchange (EXI) for Large Datasets and as an Alternative to Binary JSON Encodings

    DTIC Science & Technology

    2015-03-01

    fall in the lossy category (Gonzalez, Woods , & Eddins, 2009, p. 420). For the textual or numeric data in XML, however, lossy compression is...7/1,337 > Professional Notes Being Efficient with Bandwidth By Lieutenant Commander Steve Debich, Lieutenant Bruce Hill, Captain Scot Miller (Retired...2005). XML Binary Characterization. Retrieved from http://www.w3.org/TR/xbc-characterization/ Gonzalez, R., Woods , R., & Eddins, S. (2009

  1. Status of ground-water resources at U.S. Navy Support Facility, Diego Garcia; summary of hydrologic and climatic data, January 1993 through June 1995

    USGS Publications Warehouse

    Torikai, J.D.

    1995-01-01

    This report contains hydrologic and climatic data that describe the status of ground-water resources at U.S. Navy Support Facility, Diego Garcia. Data presented are from January 1993 through June 1995, although the report focuses on hydrologic events from April through June 1995. Cumulative rainfall for April through June 1995 was about 14 inches which is 70 percent of the mean cumulative rainfall of about 20 inches for the same 3 months in a year. April through June is within the annual dry season. Rainfall for each month was below average from the respective mean monthly rainfall. All mean rainfall values are calculated for the fixed base period 1951-90. Ground-water withdrawal during April through June 1995 averaged 833,700 gallons per day. Withdrawal for the same 3 months in 1994 averaged 950,000 gallons per day. At the end of June 1995, the chloride concentration of the composite water supply was 57 milligrams per liter, well below the 250 milligrams per liter secondary drinking-water standard established by the U.S. Environmental Protection Agency. Chloride concentrations of the composite water supply from April through June 1995 ranged between 26 and 62 milligrams per liter. Chloride concentration of ground water in monitoring wells at Cantonment and Air Operations increased since April 1995, with water from the deepest monitoring wells increasing in chloride concentra- tion by about 1000 milligrams per liter. A fuel leak at Air Operations caused the shutdown of ten wells in May 1991. Four of the wells resumed pumping for water-supply purposes in April 1992. The remaining six wells are being used to hydraulically contain and divert fuel migration away from water-supply wells by recirculating about 150,000 gallons of water each day.

  2. Status of ground-water resources at U.S. Navy Support Facility, Diego Garcia; summary of hydrologic and climatic data, January 1993 through March 1995

    USGS Publications Warehouse

    Torikai, J.D.

    1995-01-01

    This report contains hydrologic and climatic data that describe the status of ground-water resources at U.S. Navy Support Facility, Diego Garcia. Data presented are from January 1993 through March 1995, although the report focuses on hydrologic events from January through March 1995. Cumulative rainfall for January through March 1995 was about 42 inches which is higher than the mean cumulative rainfall of about 33 inches for the same 3 months in a year. January and February are part of the annual wet season and March is the start of the annual dry season. Rainfall for each month was above average from the respective mean monthly rainfall. Ground- water withdrawal during January through March 1995 averaged 894,600 gallons per day. Withdrawal for the same 3 months in 1994 averaged 999,600 gallons per day. At the end of March 1995, the chloride concentration of the composite water supply was 26 milligrams per liter, well below the 250 milligrams per liter secondary drinking-water standard established by the U.S. Environmental Protection Agency. Chloride concentrations of the composite water supply from January through March 1995 ranged between 19 and 49 milligrams per liter. Chloride concentration of ground water in monitoring wells at Cantonment and Air Operations decreased since November 1994. The deepest monitoring wells show declines in chloride concentration by as much as 4,000 milligrams per liter. A fuel leak at Air Operations caused the shutdown of ten wells in May 1991. Four of the wells resumed pumping for water- supply purposes in April 1992. The remaining six wells are being used to hydraulically contain and divert fuel migration by recirculating about 150,000 gallons of water each day.

  3. Status of ground-water resources at U.S. Navy Support Facility, Diego Garcia; summary of hydrologic and climatic data, January 1992 through September 1994

    USGS Publications Warehouse

    Torikai, J.D.

    1995-01-01

    This report contains hydrologic and climatic data that describe the status of ground-water resources at U.S. Navy Support Facility, Diego Garcia. Data are presented from January 1992 through September 1994. This report concentrates on data from July through September 1994, and references historic data from 1992 through June 1994. Total rainfall for the first nine months of 1994 was about 77 inches which is 72 percent of the mean annual rainfall of 106 inches. In comparison, total rainfall for the first nine months of 1992 and 1993 was 67 inches and 69 inches, respectively. Annual rainfall totals in 1992 and 1993 were 93 inches and 95 inches, respectively. Ground-water withdrawal during July through September 1994 has averaged 919,400 gallons per day, while annual withdrawals in 1992 and 1993 averaged 935,900 gallons per day and 953,800 gallons per day, respectively. At the end of September 1994, the chloride concentration of the composite water supply was 56 milligrams per liter, well below the 250 milligrams per liter secondary drinking-water standard established by the U.S. Environmental Protection Agency. Chloride concentrations of the composite water supply from July through September 1994 ranged between 51 and 78 milligrams per liter. Chloride concentration of ground water in monitoring wells at Cantonment and Air Operations increased in July and August, but have leveled off or decreased in September. There has been a general trend of increasing chloride concentrations in the deeper monitoring wells since the 1992 dry season, which began in March 1992. A fuel leak at Air Operations caused the shutdown of ten wells in May 1991. Four of the wells resumed pumping for water-supply purposes in April 1992. The remaining six wells are being used to hydraulically contain and divert fuel migration by recirculating 150,000 gallons of water each day.

  4. Status of ground-water resources at U.S. Navy Support Facility, Diego Garcia; summary of hydrologic and climatic data, January 1993 through September 1995

    USGS Publications Warehouse

    Torikai, J.D.

    1996-01-01

    This report contains hydrologic and climatic data that describe the status of ground-water resources at U.S. Navy Support Facility, Diego Garcia. Data presented are from January 1993 through September 1995, although the report focuses on hydrologic events from July through September 1995. Cumulative rainfall for July through September 1995 was about 15 inches which is 32 percent less than the mean cumulative rainfall of about 22 inches for July through September. July and August are within the annual dry season, while September is the start of the annual wet season. Mean cumulative rainfall is calculated for the fixed base period 1951-90. Ground-water withdrawal during July through September 1995 averaged 888,500 gallons per day. Withdrawal for the same 3 months in 1994 averaged 919,400 gallons per day. Patterns of withdrawal during the third quarter of 1995 did not change significantly since 1993 at all five ground-water production areas. At the end of September 1995, the chloride concentration of the composite water supply was 51 milligrams per liter, well below the 250 milligrams per liter secondary drinking-water standard established by the U.S. Environmental Protection Agency. Chloride concentrations of the composite water supply from July through September 1995 ranged between 42 and 68 milligrams per liter. Chloride concentration of ground water in monitoring wells at Cantonment and Air Operations continued to increase since April 1995, with water from the deepest monitoring wells increasing in chloride concentration by as much as 2,000 milligrams per liter. A fuel leak at Air Operations caused the shutdown of ten wells in May 1991. Four of the wells resumed pumping for water-supply purposes in April 1992. The remaining six wells are being used to hydraulically divert fuel migration away from water-supply wells by recirculating about 150,000 gallons of water each day.

  5. Influence of Snail on Integrin Beta l Expression/Activity in Breast Carcinoma

    DTIC Science & Technology

    2008-09-01

    sensitive for this purpose (data not shown). Next, we tested the ability of a monoclonal Snail-1 antibody from our collaborator, Dr. Antonio Garcia de...monoclonal antibody from our collaborator, Dr. Antonio Garcia de Herreros (commercially- available antibodies were not of sufficient sensitivity...expression/function in breast tumor cells. Breast Cancer Res. Treat. In Press. 2. Wanami, L.S., Chen, H., Peiro, S., Garcia de Herreros, A., and

  6. Influence of Snail on Integrin Beta 1 Expression/Activity in Breast Carcinoma

    DTIC Science & Technology

    2008-09-01

    sensitive for this purpose (data not shown). Next, we tested the ability of a monoclonal Snail-1 antibody from our collaborator, Dr. Antonio Garcia de...monoclonal antibody from our collaborator, Dr. Antonio Garcia de Herreros (commercially- available antibodies were not of sufficient sensitivity...expression/function in breast tumor cells. Breast Cancer Res. Treat. In Press. 2. Wanami, L.S., Chen, H., Peiro, S., Garcia de Herreros, A., and

  7. A Novel Hand-Held Optical Imager with Real-Time Coregistration Facilities Toward Diagnostic Mammography

    DTIC Science & Technology

    2011-01-01

    Journal Publications (1) S.J. Erickson, S.L. Martinez, J. Gonzalez, L. Caldera , and A. Godavarty. “Improved detection limits using a hand-held...Erickson, S. Martinez, J. Gonzalez, L. Caldera , and A. Godavarty. “Non- invasive Diagnostic Breast Imaging using a Hand-held Optical Imager...Proceedings of the 14th World Multi-Conference on Systems, Cybernetics and Informatics, 2010. (4) S.J. Erickson, S. Martinez, L. Caldera , and A

  8. Physiological Level: Plants in Climate Change Impacts on Florida's Biodiversity and Ecology

    NASA Technical Reports Server (NTRS)

    Foster, Tammy Elaine

    2016-01-01

    Plants grown under elevated concentrations of CO2 use resources more efficiently than plants growing at ambient CO2 (Drake, Gonzalez-Meler, and Long 1997). Photosynthesis is often stimulated while stomatal conductance and leaf nitrogen are reduced resulting in greater water-use and nitrogen-use efficiency (Drake, Gonzalez-Meler, and Long 1997, Ainsworth and Long 2005). Growth and biomass production are also often stimulated by CO2 (Ainsworth and Long 2005).

  9. Identifying Insurgent Infrastructure

    DTIC Science & Technology

    1990-01-07

    104, Underorounds. 7. DA PAM 550-104, Underoroundag p. 52. 8. DA PAM 550-106, Communist Insuroent InfragtructurA, p. 145. Also, LTC Rolando Garcia ...1985), p. 6-2. 30. LTC Rolando Garcia , Philippine Constabulary, interviews by author, 7 and 13 November 1989, Fort Leavenworth, KS. The CPP model was...Assistant U.S. Attorney, U.S. Department of Justice, Western District of Missouri. Inter-view by author. Kansas City, Missouri. 16 October 1989. Garcia

  10. Intraseasonal Wind Variability in the Equatorial Mesosphere and Lower Thermosphere: Long-Term Observations From the Central Pacific

    DTIC Science & Technology

    1997-01-01

    UARS instruments may Inc[\\ for her administrative support and to Rolando Garcia for comments[provide information on these and other questions that...that this varia! circulation "e[g[\\ Lieberman et al[\\ 0882^ Palo and bility in many ways resembled intraseasonal oscil! Avery\\ 0882^ Garcia et al[\\ 0886...series in Fig[ example\\ that the _rst westward phase of the 4[ Despite the interannual variability evident within MLTSAO is usually stronger "e[g[\\ Garcia

  11. Development of a Free-Electron Laser Center and Research in Medicine, Biology and Materials Science,

    DTIC Science & Technology

    1992-05-14

    Elastin Production in Tissue Culture", Debra A.Gonzalez MD, David L. Zealear, PhD., J.M. Davidson, PhD., Robert H. Ossoff, MD, DMD , August 1990...Otolaryngoloty-Head and Neck Surgery. K. "CO2 Laser Micromanipulator Parallax Error Resolved, Jay Werkhaven,MD, Jerri Tribble, and Robert H. Ossoff, MD, DMD ...of the Upper Aerodigestive Tract, Robert H. Ossoff, MD, DMD , Al Aly, MD, Nick Houchin, AAS, and Debra Gonzalez, MD, Vanderbilt University, Nashville

  12. Biomechanical Factors in the Etiology of Tibial Stress Fractures

    DTIC Science & Technology

    2006-08-01

    stiffness in these runners. A “stiff” runner will spend less time in contact with the ground (Farley and Gonzalez, 1996 ) and will attenuate less shock...between the leg and the head (McMahon et al., 1987). This is in agreement with the findings of Farley and Gonzalez ( 1996 ) who suggested lower...Army Natick Research and Development Laboratories. Brukner, P., Bradshaw, C., Khan, K., White, S. and Crossley, K. ( 1996 ) Stress fractures: a

  13. USMA Foreign Cadet Program -- A Case Study

    DTIC Science & Technology

    1981-05-04

    USMA 1920) -- Garcia (USMA 1923) -- Gepte (USMA 1940) 7 13 ’!f -II - many served in significant national roles, e.g.: -- several in the creation and...PMA. He was to be followed as Super-Iintendent by Colonel Rafael Garcia , another Filipino USMA graduate (USMA 1916). In December 1941, with the...1915 3. Rafael Garcia 1916 4. Louis Salvosa Apr 1917 5. Fidel Segundo Aug 1917 6. Salvador Reyes Aug 1917 7. Eustaquio Baclig Nov 1918 8. Pastor

  14. Role of the QBO in Modulating the Influence of the 11 Year Solar Cycle on the Atmosphere Using Constant Forcings

    DTIC Science & Technology

    2010-09-21

    Rolando R. Garcia ,3 Douglas E. Kinnison,3 Fabrizio Sassi,4 and Stacy Walters3 Received 26 August 2009; revised 15 April 2010; accepted 27 April 2010...constant sea surface temperatures, are discussed. Citation: Matthes, K., D. R. Marsh, R. R. Garcia , D. E. Kinnison, F. Sassi, and S. Walters (2010...Smith and Matthes, 2008] or to aliasing effects with tropical SSTs [Austin et al., 2008] and ENSO [Marsh and Garcia , 2007]. Note, however, that ENSO

  15. 78 FR 21603 - Change in Bank Control Notices; Acquisitions of Shares of a Bank or Bank Holding Company

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-04-11

    ..., LP, Mexicio City, Mexico and Rogelio Barrenechea Banzalez, Mexico City, Mexico; Constructora Maiz Mier, S.A. de C.V, Jose Sebastian Maiz Garcia, Carlos Francisco Maiz Garcia and Ricardo Javier Maiz...

  16. 77 FR 75106 - Agency Information Collection Activities: Proposed Collection; Comment Request-Summer Food...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-12-19

    ... collection techniques or other forms of information technology. Comments may be sent to Jon Garcia, Program... additional information or copies of this information collection should be directed to Jon Garcia, Program...

  17. 76 FR 42612 - Approval and Promulgation of Air Quality Implementation Plans; Vermont; Reasonably Available...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-19

    ... INFORMATION CONTACT: Ariel Garcia, Air Quality Planning Unit, U.S. Environmental Protection Agency, EPA New...., telephone number (617) 918-1660, fax number (617) 918- 0660, e-mail garcia[email protected] . SUPPLEMENTARY...

  18. Mechanisms of Intraductal Tumor Spread

    DTIC Science & Technology

    2004-08-01

    59 (2): 119-127, 2002. "• "A geometric model for image analysis in cytology" Ortiz de Solorzano C., R . Malladi , Lockett S. In: Geometric methods in...gland tissue sections". Fernandez-Gonzalez R ., Deschamps T., Idica A.K., Malladi R ., Ortiz de Solorzano C. Journal of Biomedical Optics 9(3):445-453...normal and neoplastic mammary gland tissue sections". Fernandez-Gonzalez R ., Deschamps T., Idica A.K., Malladi R ., Ortiz de Solorzano C., Proceedings

  19. Biomechanical Factors in Tibial Stress Fractures

    DTIC Science & Technology

    2005-08-01

    runners. A "stiff’ runner will spend less time in contact with the ground (Farley and Gonzalez, 1996 ) and will attenuate less shock between the leg and the...head (McMahon et al., 1987). This is in agreement with the findings of Farley and Gonzalez ( 1996 ) who suggested lower extremity stiffness and knee...83/026). Natick, MA: U.S. Army Natick Research and Development Laboratories. Brukner, P., Bradshaw, C., Khan, K., White, S. and Crossley, K. ( 1996

  20. Biomechanical Factors in Tibial Stress Fractures

    DTIC Science & Technology

    2004-08-01

    these runners. A "stiff’ runner will spend less time in contact with the ground (Farley and Gonzalez, 1996 ) and will attenuate less shock between the...leg and the head (McMahon et al., 1987). This is in agreement with the findings of Farley and Gonzalez ( 1996 ) who suggested lower extremity stiffness...Crossley, K. ( 1996 ) Stress fractures: a review of 180 cases. Clin. J. Sport Med. 6, 85-89. Brudvig, T., Grudger, T. and Obermeyer, L. (1983) Stress

  1. Iterated reaction graphs: simulating complex Maillard reaction pathways.

    PubMed

    Patel, S; Rabone, J; Russell, S; Tissen, J; Klaffke, W

    2001-01-01

    This study investigates a new method of simulating a complex chemical system including feedback loops and parallel reactions. The practical purpose of this approach is to model the actual reactions that take place in the Maillard process, a set of food browning reactions, in sufficient detail to be able to predict the volatile composition of the Maillard products. The developed framework, called iterated reaction graphs, consists of two main elements: a soup of molecules and a reaction base of Maillard reactions. An iterative process loops through the reaction base, taking reactants from and feeding products back to the soup. This produces a reaction graph, with molecules as nodes and reactions as arcs. The iterated reaction graph is updated and validated by comparing output with the main products found by classical gas-chromatographic/mass spectrometric analysis. To ensure a realistic output and convergence to desired volatiles only, the approach contains a number of novel elements: rate kinetics are treated as reaction probabilities; only a subset of the true chemistry is modeled; and the reactions are blocked into groups.

  2. Status of ground-water resources at U.S. Navy Support Facility, Diego Garcia; summary of hydrologic and climatic data, January 1993 through December 1995

    USGS Publications Warehouse

    Torikai, J.D.

    1996-01-01

    This report contains hydrologic and climatic data that describe the status of ground-water resources at U.S. Navy Support Facility, Diego Garcia. Data presented are from January 1993 through December 1995, although the report focuses on hydrologic events from October through December 1995 (fourth quarter of 1995). Cumulative rainfall for October through December 1995 was about 41 inches, which is 32 percent more than the mean cumulative rainfall of about 31 inches for October through December. The period October through December is within the annual wet season. Mean cumulative rainfall is calculated for the fixed base period 1951-90. Ground-water withdrawal during October through December 1995 averaged 931,000 gallons per day. Withdrawal for the same 3 months in 1994 averaged 902,900 gallons per day. Patterns of withdrawal during the fourth quarter of 1995 did not change significantly since 1993 at all five ground-water production areas. At the end of December 1995, the chloride concentration of the composite water supply was 60 milligrams per liter, well below the 250 milligrams per liter secondary drinking-water standard established by the U.S. Environmental Protection Agency. Chloride concentrations of the composite water supply from October through December 1995 ranged between 28 and 67 milligrams per liter. Chloride concentration of ground water in monitoring wells at Cantonment and Air Operations continued to decrease during the fourth quarter of 1995, with water from the deepest monitoring wells decreasing in chloride concentration by as much as 2,000 milligrams per liter. This trend follows increases in chloride concentration during the first half of 1995. A fuel leak at Air Operations caused the shutdown of ten wells in May 1991. Four of the wells resumed pumping for water-supply purposes in April 1992. The remaining six wells are being used to hydraulically divert fuel migration away from water-supply wells by recirculating about 150,000 gallons of water

  3. Status of ground-water resources at U.S. Navy Support Facility, Diego Garcia; summary of hydrologic and climatic data, January 1992 through December 1994

    USGS Publications Warehouse

    Torikai, J.D.

    1995-01-01

    This report contains hydrologic and climatic data that describe the status of ground-water resources at U.S. Navy Support Facility, Diego Garcia. Data presented are from January 1992 through December 1994. This report concentrates on data from October through December 1994, and references previous data from 1992 through 1994. Cumulative rainfall for October through December 1994 was 55 inches which is higher than the mean cumulative rainfall of about 31 inches for the same 3 months. Total rainfall for 1994 was 131 inches which is 24 percent higher than the mean annual rainfall of 106 inches. In com- parison, total rainfall in 1992 and 1993 were 93 inches and 95 inches, respectively. Ground-water withdrawal during October through December 1994 averaged 903,000 gallons per day, while the annual withdrawal in 1994 was 942,700 gallons per day. Annual withdrawals in 1992 and 1993 averaged 935,900 gallons per day and 953,800 gallons per day, respectively. At the end of December 1994, the chloride concentration of the composite water supply was 28 milligrams per liter, well below the 250 milligrams per liter secondary drinking-water standard established by the U.S. Environmental Protection Agency. Chloride concentrations of the composite water supply from October through December 1994 ranged between 28 and 86 milligrams per liter. Chloride concentration of ground water in monitoring wells at Cantonment and Air Operations decreased in November and December, and seems to have leveled off by the end of the year. Although chloride concen- trations have decreased during the fourth quarter of 1994, there has been a general trend of increasing chloride concentrations in the deeper monitoring wells since the 1992 dry season, which began in March 1992. A fuel leak at Air Operations caused the shutdown of ten wells in May 1991. Four of the wells resumed pumping for water-supply purposes in April 1992. The remaining six wells are being used to hydraulically contain and divert fuel

  4. Status of ground-water resources at U.S. Navy Support Facility, Diego Garcia; summary of hydrologic and climatic data, January 1994 through June 1996

    USGS Publications Warehouse

    Torikai, J.D.

    1996-01-01

    This report describes the status of ground-water resources at U.S. Navy Support Facility, Diego Garcia. Data presented are from January 1994 through June 1996, with a focus on data from April through June 1996 (second quarter of 1996). A complete database of ground-water withdrawals and chloride-concentration records since 1985 is maintained by the U.S. Geological Survey. Cumulative rainfall for April through June 1996 was 22.64 inches, which is 12 percent more than the mean cumulative rainfall of 20.21 inches for April through June. The period April through June is part of the annual dry season. Ground-water withdrawal during April through June 1996 averaged 1,048,000 gallons per day. Withdrawal for the same 3 months in 1995 averaged 833,700 gallons per day. Withdrawal patterns during the second quarter of 1996 did not change significantly since 1991, with the Cantonment and Air Operations areas supplying about 99 percent of total islandwide pumpage. At the end of June 1996, the chloride concentration of water from the elevated tanks at Cantonment and Air Operations were 52 and 80 milligrams per liter, respectively. The chloride data from all five production areas showed no significant upward or downward trends throughout the second quarter of 1996. Potable levels of chloride concentrations have been maintained by adjusting individual pumping rates, and also because of the absence of long-term droughts. Chloride concentration of ground water in monitoring wells at Cantonment and Air Operations also showed no significant trends throughout the second quarter of 1996. Chloride concentrations have been about the same since the last quarter of 1995. A fuel-pipeline leak at Air Operations in May 1991 decreased total islandwide withdrawals by 15 percent. This lost pumping capacity is being offset by increased pumpage at Cantonment. Six wells do not contribute to the water supply because they are being used to hydraulically divert fuel migration away from water

  5. Status of ground-water resources at U.S. Navy Support Facility, Diego Garcia; summary of hydrologic and climatic data, January 1994 through September 1996

    USGS Publications Warehouse

    Torikai, J.D.

    1996-01-01

    This report describes the status of ground-water resources at U.S. Navy Support Facility, Diego Garcia. Data presented are from January 1994 through September 1996, with a focus on data from July through September 1996 (third quarter of 1996). A complete database of ground-water withdrawals and chloride-concentration records since 1985 is maintained by the U.S. Geological Survey. Total rainfall for the period July through September 1996 was 8.94 inches, which is 60 percent less than the mean rainfall of 22.23 inches for the period July through September. July and August are part of the annual dry season, while September is the start of the annual wet season. Ground-water withdrawal during July through September 1996 averaged 1,038,300 gallons per day. Withdrawal for the same 3 months in 1995 averaged 888,500 gallons per day. Ground-water withdrawals have steadily increased since about April 1995. At the end of September 1996, the chloride concentration of water from the elevated tanks at Cantonment and Air Operations were 68 and 150 milligrams per liter, respectively. The chloride concentration from all five production areas increased throughout the third quarter of 1996, and started the upward trend in about April 1995. Chloride concentration of ground water in monitoring wells at Cantonment and Air Operations also increased throughout the third quarter of 1996, with the largest increases from water in the deepest monitoring wells. Chloride concentrations have not been at this level since the dry season of 1994. A fuel-pipeline leak at Air Operations in May 1991 decreased total islandwide withdrawals by 15 percent. This lost pumping capacity is being offset by increased pumpage at Cantonment. Six wells do not contribute to the water supply because they are being used to hydraulically divert fuel migration away from water-supply wells by a program of ground-water withdrawal and injection.

  6. Status of ground-water resources at U.S. Navy Support Facility, Diego Garcia; summary of hydrologic and climatic data, January 1994 through March 1996

    USGS Publications Warehouse

    Torikai, J.D.

    1996-01-01

    This report describes the status of ground-water resources at U.S. Navy Support Facility, Diego Garcia. Data presented are from January 1994 through March 1996, with a focus on data from January through March 1996 (first quarter of 1996). A complete database of ground-water withdrawals and chloride-concentration records since 1985 is maintained by the U.S. Geological Survey. Cumulative rainfall for January through March 1996 was about 30 inches, which is 9 percent less than the mean cumulative rainfall of about 33 inches for January through March. The period January through February is the end of the annual wet season, while March marks the start of the annual dry season. Ground-water withdrawal during January through March 1996 averaged 970,300 gallons per day. Withdrawal for the same 3 months in 1995 averaged 894,600 gallons per day. With- drawal patterns during the first quarter of 1996 did not change significantly since 1991, with the Cantonment and Air Operations areas supplying about 99 percent of total islandwide pumpage. At the end of March 1996, the chloride concentration of water from the elevated tanks at Cantonment and Air Operations were 47 and 80 milligrams per liter, respectively. The chloride data from all five production areas showed no significant upward or downward trends throughout the first quarter of 1996. Potable levels of chloride concentrations have been maintained by adjusting individual pumping rates, and also because of the absence of long-term droughts. Chloride concentration of ground water in monitoring wells at Cantonment and Air Operations also showed no significant trends throughout the first quarter of 1996. Chloride concentrations have been about the same since the last quarter of 1995. A fuel-pipeline leak at Air Operations in May 1991 decreased total islandwide withdrawals by 15 percent. This lost pumping capacity is being offset by increased pumpage at Cantonment. Six wells do not contribute to the water supply because they

  7. DOJ News Release: Boise Couple Sentenced for Defrauding Idaho DEQ

    EPA Pesticide Factsheets

    Jorge Garcia and Karen Damberg Garcia were sentenced today for conspiring to defraud the Idaho Department of Environmental Quality of federal grant funds that were to be used to install diesel emission reduction equipment on Idaho school buses.

  8. 77 FR 54911 - Ocean Transportation Intermediary License Applicants

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-09-06

    ...: Jorge L. Garcia, President (QI), Nora Garcia, Vice President, Application Type: New OFF Ocean World... FEDERAL MARITIME COMMISSION Ocean Transportation Intermediary License Applicants The Commission gives notice that the following applicants have filed an application for an Ocean Transportation...

  9. Dry Acid Deposition and Accumulation on the Surface of Mars and in the Atacama Desert, Chile

    NASA Technical Reports Server (NTRS)

    Quinn, R. C.; Zent, A. P.; Ehrenfruend, P.; Taylor, C. L.; McKay, C. P.; Garry, J. R. C.

    2005-01-01

    It has been discovered recently that soils from certain regions of the Chilean Atacama Desert have some characteristics that are similar to the surface materials tested by the Viking Landers. Navarro-Gonzalez et al. demonstrated that the quantity and diversity of heterotrophic bacteria increase as a function of local water availability in the Atacama, and that for some soil samples collected in the driest regions, no culturable bacteria could be isolated. Additionally, Navarro-Gonzalez et al. reported that pyrolysis-GCMS analysis of soils collected from these regions revealed extremely low levels of organic matter. Although the mechanism resulting in the low level of organics in these regions was not established by Navarro-Gonzalez, the condition of organic-depleted, near-sterile soil offers an interesting Earth analog of the martian surface material, as the Viking Gas Exchange (GEx) experiment and Labeled Release (LR) experiment were unable to demonstrate the presence of culturable bacteria, and the Viking pyrolysis- GCMS was unable to detect organic compounds.

  10. Management of bleeding from an abnormally located S6 arterial branch in a common origin with S2 branch during live surgery.

    PubMed

    Abu Akar, Firas; Gonzalez-Rivas, Diego; Fink, Daniel

    2016-01-01

    In 24 th /03/2016 we organized the first uniportal video-assisted thoracic surgery (VATS) live surgery workshop in Jerusalem at our institution with our special guest Dr. Diego Gonzalez-Rivas, more than 30 participants attended this workshop from Israeli and the Palestinian territories (cardiothoracic and vascular surgeons, general surgeons, anesthesiologists and nurses). During the workshop Dr. Gonzalez operated two complex cases while the first case was an anatomical S1 segmentectomy, the second case (the one which we are reporting in this paper) was bilobectomy of right middle and lower lobes, during this case a profuse bleeding appeared while introducing the stapler in the interlobar fissure, the source of this bleeding was an abnormally located arterial branch, however the bleeding managed perfectly by Dr. Gonzalez-Rivas, although this surgery kept all of us in a state, all the attendees were happy to see the way how this bleeding managed and everybody was satisfied with the final result.

  11. Management of bleeding from an abnormally located S6 arterial branch in a common origin with S2 branch during live surgery

    PubMed Central

    Gonzalez-Rivas, Diego; Fink, Daniel

    2016-01-01

    In 24th/03/2016 we organized the first uniportal video-assisted thoracic surgery (VATS) live surgery workshop in Jerusalem at our institution with our special guest Dr. Diego Gonzalez-Rivas, more than 30 participants attended this workshop from Israeli and the Palestinian territories (cardiothoracic and vascular surgeons, general surgeons, anesthesiologists and nurses). During the workshop Dr. Gonzalez operated two complex cases while the first case was an anatomical S1 segmentectomy, the second case (the one which we are reporting in this paper) was bilobectomy of right middle and lower lobes, during this case a profuse bleeding appeared while introducing the stapler in the interlobar fissure, the source of this bleeding was an abnormally located arterial branch, however the bleeding managed perfectly by Dr. Gonzalez-Rivas, although this surgery kept all of us in a state, all the attendees were happy to see the way how this bleeding managed and everybody was satisfied with the final result. PMID:29399474

  12. Reaction time for trimolecular reactions in compartment-based reaction-diffusion models

    NASA Astrophysics Data System (ADS)

    Li, Fei; Chen, Minghan; Erban, Radek; Cao, Yang

    2018-05-01

    Trimolecular reaction models are investigated in the compartment-based (lattice-based) framework for stochastic reaction-diffusion modeling. The formulae for the first collision time and the mean reaction time are derived for the case where three molecules are present in the solution under periodic boundary conditions. For the case of reflecting boundary conditions, similar formulae are obtained using a computer-assisted approach. The accuracy of these formulae is further verified through comparison with numerical results. The presented derivation is based on the first passage time analysis of Montroll [J. Math. Phys. 10, 753 (1969)]. Montroll's results for two-dimensional lattice-based random walks are adapted and applied to compartment-based models of trimolecular reactions, which are studied in one-dimensional or pseudo one-dimensional domains.

  13. The Seventh Data Release of the Sloan Digital Sky Survey

    DTIC Science & Technology

    2009-05-18

    Gilmore17, Belinda Gonzalez2, Carlos F. Gonzalez2, Eva K . Grebel43, James E. Gunn11, Zsuzsanna Györy29, Patrick B . Hall44, Paul Harding45...131, 2332 Gustafsson, B ., Edvardsson, B ., Eriksson, K ., Jørgensen, U. G., Nordlund, Å., & Plez, B . 2008, A&A, 486, 951 Holtzman, J. A., et al. 2008, AJ...Shara, M. M. 2007, ApJ, 669, 1235 Lilly, S., et al. 2007, ApJS, 172, 70 Lisker, T., Grebel, E. K ., Binggeli, B ., & Glatt, K . 2007, ApJ, 660, 1186

  14. Electrochromic Adaptive Infrared Camouflage

    DTIC Science & Technology

    2005-12-01

    H.M. van Driel, Nature 405 (2000) 437. [14] M. Holgado , F. Garcia-Santamaria, A.Blanco, M. Ibisate, A. Cintas, H. Miguez, C.J...Quantum Electronics 34: 27-36, 2002. [20] A. Reynolds, F. Lopez-Tejeira, D. Cassagne, F.J. Garcia-Vidal, C. Jouanin, J. Sanchez

  15. VizieR Online Data Catalog: S4G disk galaxies stellar mass distribution (Diaz-Garcia+, 2016)

    NASA Astrophysics Data System (ADS)

    Diaz-Garcia, S.; Salo, H.; Laurikainen, E.

    2016-08-01

    We provide the tabulated radial profiles of mean stellar mass density in bins of total stellar mass (M*, from Munoz-Mateos et al., 2015ApJS..219....3M) and Hubble stage (T, from Buta et al., 2015, Cat. J/ApJS/217/32). We used the 3.6um imaging for the non-highly inclined galaxies (i<65° in Salo et al., 2015, Cat. J/ApJS/219/4) in the Spitzer Survey of Stellar Structure in Galaxies (Sheth et al., 2010, Cat. J/PASP/122/1397). We also provide the averaged stellar contribution to the circular velocity, computed from the radial force profiles of individual galaxies (from Diaz-Garcia et al., 2016A&A...587A.160D). Besides, we provide the FITS files of the bar synthetic images (2D) obtained by stacking images rescaled to a common frame determined by the bar parameters (from Herrera-Endoqui et al., 2015A&A...582A..86H) in bins of M*, T, and galaxy family (from Buta et al. 2015). For the bar stacks, we also tabulate the azimuthally averaged luminosity profiles, the tangential-to-radial forces (Qt), the m=2,4 Fourier amplitudes (A2,A4), and the radial profiles of ellipticity and b4 parameter. The fits files (.fit) of the bar stacks, in units of flux (MJy/sr). The pixel size is 0.02 x rbar, where rbar refers to the bar radius. The images are cut at a radius of 3 x rbar. In every folder, the terminology used to label the ".dat" and ".fit" files, in relation to their content, is the following: a) The term "starmass" is used when the binning of the sample was based on the total stellar mass of the galaxy, from Munoz-Mateos et al. (2015ApJS..219....3M). We indicate the common logarithm of the boundaries: (8.5,9.9.5,10,10.5,11). b) The term "ttype" is used when the binning of the sample was based on the Hubble stage of the galaxy (-3,0,3,5,8,11), from Buta et al. (2015, Cat. J/ApJS/217/32) c) The term "family" is used when the binning of the sample was based on the morphological family of the galaxy (AB,AB,AB,B), from Buta et al. (2015, Cat. J/ApJS/217/32). d) The term "hr" is

  16. Reaction Decoder Tool (RDT): extracting features from chemical reactions.

    PubMed

    Rahman, Syed Asad; Torrance, Gilliean; Baldacci, Lorenzo; Martínez Cuesta, Sergio; Fenninger, Franz; Gopal, Nimish; Choudhary, Saket; May, John W; Holliday, Gemma L; Steinbeck, Christoph; Thornton, Janet M

    2016-07-01

    Extracting chemical features like Atom-Atom Mapping (AAM), Bond Changes (BCs) and Reaction Centres from biochemical reactions helps us understand the chemical composition of enzymatic reactions. Reaction Decoder is a robust command line tool, which performs this task with high accuracy. It supports standard chemical input/output exchange formats i.e. RXN/SMILES, computes AAM, highlights BCs and creates images of the mapped reaction. This aids in the analysis of metabolic pathways and the ability to perform comparative studies of chemical reactions based on these features. This software is implemented in Java, supported on Windows, Linux and Mac OSX, and freely available at https://github.com/asad/ReactionDecoder : asad@ebi.ac.uk or s9asad@gmail.com. © The Author 2016. Published by Oxford University Press.

  17. Education Returns of Wage Earners and Self-Employed Workers: Rejoinder

    ERIC Educational Resources Information Center

    Jordahl, Henrik; Poutvaara, Panu; Tuomala, Juha

    2009-01-01

    In their reply to our comment, Garcia-Mainar and Montuenga-Gomez [Garcia-Mainar, I., & Montuenga-Gomez, V. M. (2009). A response to the comment on education returns of wage earners and self-employed workers. "Economics of Education Review"] did not address our fundamental criticism that they have not provided the information…

  18. Extent of reaction in open systems with multiple heterogeneous reactions

    USGS Publications Warehouse

    Friedly, John C.

    1991-01-01

    The familiar batch concept of extent of reaction is reexamined for systems of reactions occurring in open systems. Because species concentrations change as a result of transport processes as well as reactions in open systems, the extent of reaction has been less useful in practice in these applications. It is shown that by defining the extent of the equivalent batch reaction and a second contribution to the extent of reaction due to the transport processes, it is possible to treat the description of the dynamics of flow through porous media accompanied by many chemical reactions in a uniform, concise manner. This approach tends to isolate the reaction terms among themselves and away from the model partial differential equations, thereby enabling treatment of large problems involving both equilibrium and kinetically controlled reactions. Implications on the number of coupled partial differential equations necessary to be solved and on numerical algorithms for solving such problems are discussed. Examples provided illustrate the theory applied to solute transport in groundwater flow.

  19. ReactionMap: an efficient atom-mapping algorithm for chemical reactions.

    PubMed

    Fooshee, David; Andronico, Alessio; Baldi, Pierre

    2013-11-25

    Large databases of chemical reactions provide new data-mining opportunities and challenges. Key challenges result from the imperfect quality of the data and the fact that many of these reactions are not properly balanced or atom-mapped. Here, we describe ReactionMap, an efficient atom-mapping algorithm. Our approach uses a combination of maximum common chemical subgraph search and minimization of an assignment cost function derived empirically from training data. We use a set of over 259,000 balanced atom-mapped reactions from the SPRESI commercial database to train the system, and we validate it on random sets of 1000 and 17,996 reactions sampled from this pool. These large test sets represent a broad range of chemical reaction types, and ReactionMap correctly maps about 99% of the atoms and about 96% of the reactions, with a mean time per mapping of 2 s. Most correctly mapped reactions are mapped with high confidence. Mapping accuracy compares favorably with ChemAxon's AutoMapper, versions 5 and 6.1, and the DREAM Web tool. These approaches correctly map 60.7%, 86.5%, and 90.3% of the reactions, respectively, on the same data set. A ReactionMap server is available on the ChemDB Web portal at http://cdb.ics.uci.edu .

  20. Education Returns of Wage Earners and Self-Employed Workers: Comment

    ERIC Educational Resources Information Center

    Jordahl, Henrik; Poutvaara, Panu; Tuomala, Juha

    2009-01-01

    In a recent paper, Garcia-Mainar and Montuenga-Gomez [Garcia-Mainar, I. & Montuenga-Gomez, V. M. (2005). Education returns of wage earners and self-employed workers: Portugal vs. Spain. "Economics of Education Review, 24"(2), 161-170] apply the generalized IV model of Hausman and Taylor to estimate education returns of wage earners…

  1. Comments on "Radiofrequency electromagnetic fields and some cancers of unknown etiology: An ecological study".

    PubMed

    Mortazavi, S A R; Mortazavi, Ghazal; Mortazavi, S M J

    2017-12-31

    This correspondence refers to the Science of the Total Environment article by Gonzalez-Rubio et al. entitled "Radiofrequency electromagnetic fields and some cancers of unknown etiology: An ecological study". Authors of this paper have presented the findings of their preliminary epidemiological study which combined epidemiology, statistics and geographical information systems (GIS). Gonzalez-Rubio et al. have analyzed the possible link between exposure to Radiofrequency Electromagnetic Fields (RF-EMF) in the city of Albacete, Spain and the incidence of cancers such as lymphomas, and brain tumors. The shortcomings of this study are discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. FY11 Force Structure Announcement

    DTIC Science & Technology

    2010-01-01

    Rep H. Mitchell (D-5) Rep J. Flake (R-6) Rep R. Grijalva (D-7) Rep G. Giffords (D-8) 3 - MESA RegAF Military Reserve AGR Guard AGR Civilians...Edwards (D-17) Rep S. Jackson-Lee (D-18) Rep R. Neugebauer (R-19) Rep C. Gonzalez (D-20) Rep L. Smith (R-21) Rep P. Olson (R-22) Rep C. Rodriguez (D-23...Rep S. Jackson-Lee (D-18) Rep R. Neugebauer (R-19) Rep C. Gonzalez (D-20) Rep L. Smith (R-21) Rep P. Olson (R-22) Rep C. Rodriguez (D-23) Rep K

  3. Reaction Extrema: Extent of Reaction in General Chemistry

    ERIC Educational Resources Information Center

    Vandezande, Jonathon E.; Vander Griend, Douglas A.; DeKock, Roger L.

    2013-01-01

    Nearly 100 years ago de Donder introduced the term "extent of reaction", ?. We build on that work by defining the concept of reagent extrema for an arbitrary chemical reaction, aA + bB [reversible reaction] yY + zZ. The central equation is ?^[subscript i] = -n[subscript i,0]/?[subscript i]. The symbol ?^[subscript i] represents the…

  4. Reactive pathways of hydrogen and carbon removal from organosilicate glass low- κ films by F atoms

    NASA Astrophysics Data System (ADS)

    Voronina, Ekaterina N.; Mankelevich, Yuri A.; Rakhimova, Tatyana V.

    2017-07-01

    Direct molecular dynamic simulation on the base of the density functional theory (DFT) method is used to study some critical reactions of F atoms with organosilicate glass (OSG) low-κ films. Here static and dynamic DFT-based approaches are applied for a variety of reactive pathways of hydrogen and carbon removal in the form of volatile products (HF, CF2 and CF3 molecules) from initial SiCH3 surface groups. These reactions constitute an important part of the proposed multi-step mechanism of OSG films damage and etching by thermal F atoms. Two models (POSS and TMCTS macromolecules and their modifications) are used to illustrate the peculiarities and dynamics of the successive reactions of F atoms with the initial SiCH3 and appeared SiCHxFy (x + y ≤ 3) surface groups. Contribution to the Topical Issue "Dynamics of Molecular Systems (MOLEC 2016)", edited by Alberto Garcia-Vela, Luis Banares and Maria Luisa Senent.

  5. Assignment of EC Numbers to Enzymatic Reactions with Reaction Difference Fingerprints

    PubMed Central

    Hu, Qian-Nan; Zhu, Hui; Li, Xiaobing; Zhang, Manman; Deng, Zhe; Yang, Xiaoyan; Deng, Zixin

    2012-01-01

    The EC numbers represent enzymes and enzyme genes (genomic information), but they are also utilized as identifiers of enzymatic reactions (chemical information). In the present work (ECAssigner), our newly proposed reaction difference fingerprints (RDF) are applied to assign EC numbers to enzymatic reactions. The fingerprints of reactant molecules minus the fingerprints of product molecules will generate reaction difference fingerprints, which are then used to calculate reaction Euclidean distance, a reaction similarity measurement, of two reactions. The EC number of the most similar training reaction will be assigned to an input reaction. For 5120 balanced enzymatic reactions, the RDF with a fingerprint length at 3 obtained at the sub-subclass, subclass, and main class level with cross-validation accuracies of 83.1%, 86.7%, and 92.6% respectively. Compared with three published methods, ECAssigner is the first fully automatic server for EC number assignment. The EC assignment system (ECAssigner) is freely available via: http://cadd.whu.edu.cn/ecassigner/. PMID:23285222

  6. [Reactions to food].

    PubMed

    Halvorsen, R; Eggesb M; Botten, G

    1995-12-10

    Adverse reactions to food occur in about 1-2% of the population, but are reported more frequently by patients. Most reactions to food are not caused by allergy. IgE-mediated food reactions are well known and of major clinical significance owing to their potentially dangerous, even life-threatening character. Adverse reactions to food can also be caused by immunological mechanisms other than IgE-mediated reactions such as, enzyme deficiencies, active pharmacological substances in food and psychological mechanisms. Double-blind provocation is the only way to diagnose a positive reaction to a food item with some certainty. Regretably no objective measures for food reactions exist.

  7. The Social Ecology of Maternal Infant Care in Socially and Economically Marginalized Community in Southern Israel

    ERIC Educational Resources Information Center

    Daoud, Nihaya; O'Campo, Patricia; Anderson, Kim; Agbaria, Ayman K.; Shoham-Vardi, Ilana

    2012-01-01

    This study aims to better understand the social ecology of infant care (IC) as experienced and perceived by mothers living in a deprived Arab Bedouin community in Israel, where children's health indicators are poor. We used the integrative model of Garcia Coll et al. (Garcia Coll C, Lamberty G, Jenkins R "et al." An integrative model for…

  8. Reaction Event Counting Statistics of Biopolymer Reaction Systems with Dynamic Heterogeneity.

    PubMed

    Lim, Yu Rim; Park, Seong Jun; Park, Bo Jung; Cao, Jianshu; Silbey, Robert J; Sung, Jaeyoung

    2012-04-10

    We investigate the reaction event counting statistics (RECS) of an elementary biopolymer reaction in which the rate coefficient is dependent on states of the biopolymer and the surrounding environment and discover a universal kinetic phase transition in the RECS of the reaction system with dynamic heterogeneity. From an exact analysis for a general model of elementary biopolymer reactions, we find that the variance in the number of reaction events is dependent on the square of the mean number of the reaction events when the size of measurement time is small on the relaxation time scale of rate coefficient fluctuations, which does not conform to renewal statistics. On the other hand, when the size of the measurement time interval is much greater than the relaxation time of rate coefficient fluctuations, the variance becomes linearly proportional to the mean reaction number in accordance with renewal statistics. Gillespie's stochastic simulation method is generalized for the reaction system with a rate coefficient fluctuation. The simulation results confirm the correctness of the analytic results for the time dependent mean and variance of the reaction event number distribution. On the basis of the obtained results, we propose a method of quantitative analysis for the reaction event counting statistics of reaction systems with rate coefficient fluctuations, which enables one to extract information about the magnitude and the relaxation times of the fluctuating reaction rate coefficient, without a bias that can be introduced by assuming a particular kinetic model of conformational dynamics and the conformation dependent reactivity. An exact relationship is established between a higher moment of the reaction event number distribution and the multitime correlation of the reaction rate for the reaction system with a nonequilibrium initial state distribution as well as for the system with the equilibrium initial state distribution.

  9. Cycloaddition Reactions of Cobalt-Complexed Macrocyclic Alkynes: The Transannular Pauson-Khand Reaction.

    PubMed

    Karabiyikoglu, Sedef; Boon, Byron A; Merlic, Craig A

    2017-08-04

    The Pauson-Khand reaction is a powerful tool for the synthesis of cyclopentenones through the efficient [2 + 2 + 1] cycloaddition of dicobalt alkyne complexes with alkenes. While intermolecular and intramolecular variants are widely known, transannular versions of this reaction are unknown and the basis of this study. Macrocyclic enyne and dienyne complexes were readily synthesized by palladium(II)-catalyzed oxidative macrocyclizations of bis(vinyl boronate esters) or ring-closing metathesis reactions followed by complexation with dicobalt octacarbonyl. Several reaction modalities of these macrocyclic complexes were uncovered. In addition to the first successful transannular Pauson-Khand reactions, other intermolecular and transannular cycloaddition reactions included intermolecular Pauson-Khand reactions, transannular [4 + 2] cycloaddition reactions, intermolecular [2 + 2 + 2] cycloaddition reactions, and intermolecular [2 + 2 + 1 + 1] cycloaddition reactions. The structural and reaction requirements for each process are presented.

  10. Procedures for Decomposing a Redox Reaction into Half-Reaction

    ERIC Educational Resources Information Center

    Fishtik, Ilie; Berka, Ladislav H.

    2005-01-01

    A simple algorithm for a complete enumeration of the possible ways a redox reaction (RR) might be uniquely decomposed into half-reactions (HRs) using the response reactions (RERs) formalism is presented. A complete enumeration of the possible ways a RR may be decomposed into HRs is equivalent to a complete enumeration of stoichiometrically…

  11. Direct Monte Carlo simulation of chemical reaction systems: Simple bimolecular reactions

    NASA Astrophysics Data System (ADS)

    Piersall, Shannon D.; Anderson, James B.

    1991-07-01

    In applications to several simple reaction systems we have explored a ``direct simulation'' method for predicting and understanding the behavior of gas phase chemical reaction systems. This Monte Carlo method, originated by Bird, has been found remarkably successful in treating a number of difficult problems in rarefied dynamics. Extension to chemical reactions offers a powerful tool for treating reaction systems with nonthermal distributions, with coupled gas-dynamic and reaction effects, with emission and adsorption of radiation, and with many other effects difficult to treat in any other way. The usual differential equations of chemical kinetics are eliminated. For a bimolecular reaction of the type A+B→C+D with a rate sufficiently low to allow a continued thermal equilibrium of reactants we find that direct simulation reproduces the expected second order kinetics. Simulations for a range of temperatures yield the activation energies expected for the reaction models specified. For faster reactions under conditions leading to a depletion of energetic reactant species, the expected slowing of reaction rates and departures from equilibrium distributions are observed. The minimum sample sizes required for adequate simulations are as low as 1000 molecules for these cases. The calculations are found to be simple and straightforward for the homogeneous systems considered. Although computation requirements may be excessively high for very slow reactions, they are reasonably low for fast reactions, for which nonequilibrium effects are most important.

  12. Far Forward Battlefield Telemedicine: Ultrasonic Guidance in Diagnosis and Emergency Therapeutics

    DTIC Science & Technology

    2008-03-01

    Thomas JD, Garcia MJ. Planimetric assessment of anatomic valve area overestimates effective orifice area in bicuspid aortic stenosis . J Am Soc...Popovic ZB, Khot UN, Novaro GM, Casas F, Greenberg NL, Garcia MJ, Francis GS, Thomas JD. Effects of sodium nitroprusside in aortic stenosis ...aneurysmal ventricles,3 aortic regurgitation,4 hypertrophic cardiomyopathy,5 mitral regurgitation,6 ischemic cardiomyopathy,7 and dilated cardiomyopathy

  13. Hydrodynamic Modeling of Diego Garcia Lagoon

    DTIC Science & Technology

    2014-08-01

    relative humidity, rainfall rate (m/s), evapotranspiration rate (m/s), net solar shortwave radiation (J/m2/s), cloud cover, wind speed (m/s), and... Evapotranspiration estimates were made using a version of the Modified Penman Equation (CIMIS, 2014). Solar radiation measurements were obtained from

  14. Traffic-Related Air Pollution, Noise at School, and Behavioral Problems in Barcelona Schoolchildren: A Cross-Sectional Study.

    PubMed

    Forns, Joan; Dadvand, Payam; Foraster, Maria; Alvarez-Pedrerol, Mar; Rivas, Ioar; López-Vicente, Mònica; Suades-Gonzalez, Elisabet; Garcia-Esteban, Raquel; Esnaola, Mikel; Cirach, Marta; Grellier, James; Basagaña, Xavier; Querol, Xavier; Guxens, Mònica; Nieuwenhuijsen, Mark J; Sunyer, Jordi

    2016-04-01

    The available evidence of the effects of air pollution and noise on behavioral development is limited, and it overlooks exposure at schools, where children spend a considerable amount of time. We aimed to investigate the associations of exposure to traffic-related air pollutants (TRAPs) and noise at school on behavioral development of schoolchildren. We evaluated children 7-11 years of age in Barcelona (Catalonia, Spain) during 2012-2013 within the BREATHE project. Indoor and outdoor concentrations of elemental carbon (EC), black carbon (BC), and nitrogen dioxide (NO2) were measured at schools in two separate 1-week campaigns. In one campaign we also measured noise levels inside classrooms. Parents filled out the strengths and difficulties questionnaire (SDQ) to assess child behavioral development, while teachers completed the attention deficit/hyperactivity disorder criteria of the DSM-IV (ADHD-DSM-IV) list to assess specific ADHD symptomatology. Negative binomial mixed-effects models were used to estimate associations between the exposures and behavioral development scores. Interquartile range (IQR) increases in indoor and outdoor EC, BC, and NO2 concentrations were positively associated with SDQ total difficulties scores (suggesting more frequent behavioral problems) in adjusted multivariate models, whereas noise was significantly associated with ADHD-DSM-IV scores. In our study population of 7- to 11-year-old children residing in Barcelona, exposure to TRAPs at school was associated with increased behavioral problems in schoolchildren. Noise exposure at school was associated with more ADHD symptoms. Forns J, Dadvand P, Foraster M, Alvarez-Pedrerol M, Rivas I, López-Vicente M, Suades-Gonzalez E, Garcia-Esteban R, Esnaola M, Cirach M, Grellier J, Basagaña X, Querol X, Guxens M, Nieuwenhuijsen MJ, Sunyer J. 2016. Traffic-related air pollution, noise at school, and behavioral problems in Barcelona schoolchildren: a cross-sectional study. Environ Health Perspect

  15. Reaction rates for mesoscopic reaction-diffusion kinetics

    DOE PAGES

    Hellander, Stefan; Hellander, Andreas; Petzold, Linda

    2015-02-23

    The mesoscopic reaction-diffusion master equation (RDME) is a popular modeling framework frequently applied to stochastic reaction-diffusion kinetics in systems biology. The RDME is derived from assumptions about the underlying physical properties of the system, and it may produce unphysical results for models where those assumptions fail. In that case, other more comprehensive models are better suited, such as hard-sphere Brownian dynamics (BD). Although the RDME is a model in its own right, and not inferred from any specific microscale model, it proves useful to attempt to approximate a microscale model by a specific choice of mesoscopic reaction rates. In thismore » paper we derive mesoscopic scale-dependent reaction rates by matching certain statistics of the RDME solution to statistics of the solution of a widely used microscopic BD model: the Smoluchowski model with a Robin boundary condition at the reaction radius of two molecules. We also establish fundamental limits on the range of mesh resolutions for which this approach yields accurate results and show both theoretically and in numerical examples that as we approach the lower fundamental limit, the mesoscopic dynamics approach the microscopic dynamics. Finally, we show that for mesh sizes below the fundamental lower limit, results are less accurate. Thus, the lower limit determines the mesh size for which we obtain the most accurate results.« less

  16. Reaction rates for mesoscopic reaction-diffusion kinetics

    PubMed Central

    Hellander, Stefan; Hellander, Andreas; Petzold, Linda

    2016-01-01

    The mesoscopic reaction-diffusion master equation (RDME) is a popular modeling framework frequently applied to stochastic reaction-diffusion kinetics in systems biology. The RDME is derived from assumptions about the underlying physical properties of the system, and it may produce unphysical results for models where those assumptions fail. In that case, other more comprehensive models are better suited, such as hard-sphere Brownian dynamics (BD). Although the RDME is a model in its own right, and not inferred from any specific microscale model, it proves useful to attempt to approximate a microscale model by a specific choice of mesoscopic reaction rates. In this paper we derive mesoscopic scale-dependent reaction rates by matching certain statistics of the RDME solution to statistics of the solution of a widely used microscopic BD model: the Smoluchowski model with a Robin boundary condition at the reaction radius of two molecules. We also establish fundamental limits on the range of mesh resolutions for which this approach yields accurate results and show both theoretically and in numerical examples that as we approach the lower fundamental limit, the mesoscopic dynamics approach the microscopic dynamics. We show that for mesh sizes below the fundamental lower limit, results are less accurate. Thus, the lower limit determines the mesh size for which we obtain the most accurate results. PMID:25768640

  17. A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity.

    PubMed

    Reimers, Jeffrey R; McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S

    2015-10-14

    While diabatic approaches are ubiquitous for the understanding of electron-transfer reactions and have been mooted as being of general relevance, alternate applications have not been able to unify the same wide range of observed spectroscopic and kinetic properties. The cause of this is identified as the fundamentally different orbital configurations involved: charge-transfer phenomena involve typically either 1 or 3 electrons in two orbitals whereas most reactions are typically closed shell. As a result, two vibrationally coupled electronic states depict charge-transfer scenarios whereas three coupled states arise for closed-shell reactions of non-degenerate molecules and seven states for the reactions implicated in the aromaticity of benzene. Previous diabatic treatments of closed-shell processes have considered only two arbitrarily chosen states as being critical, mapping these states to those for electron transfer. We show that such effective two-state diabatic models are feasible but involve renormalized electronic coupling and vibrational coupling parameters, with this renormalization being property dependent. With this caveat, diabatic models are shown to provide excellent descriptions of the spectroscopy and kinetics of the ammonia inversion reaction, proton transfer in N2H7(+), and aromaticity in benzene. This allows for the development of a single simple theory that can semi-quantitatively describe all of these chemical phenomena, as well as of course electron-transfer reactions. It forms a basis for understanding many technologically relevant aspects of chemical reactions, condensed-matter physics, chemical quantum entanglement, nanotechnology, and natural or artificial solar energy capture and conversion.

  18. Contact reactions to fragrances.

    PubMed

    Katsarou, A; Armenaka, M; Kalogeromitros, D; Koufou, V; Georgala, S

    1999-05-01

    The most common reaction to fragrances is contact dermatitis, a delayed hypersensitivity reaction; however, other reactions include immediate contact reactions (contact urticaria) and photo-allergic reactions. Fragrance mix (FM) and balsam of Peru (BP) are used to screen for fragrance allergy. To study the different types of allergic skin reactions to fragrance compounds. Delayed hypersensitivity reactions to FM and BP were studied in 4,975 patients with suspected contact dermatitis by routine patch testing interpreted at 48 and 96 hours. In 664 of the patients, patch tests were read at 30 minutes to evaluate for immediate (wheal-and-flare) contact reactions and again at 48 and 96 hours. Photopatch tests to FM were performed in 111 patients with suspected photo-allergic dermatitis. Delayed contact reactions to FM occurred in 6.6% of females and 5.4% of males and to BP in 3.9% of females and 4.1% of males. Analysis of data over time (12 study years) showed an increased trend for reactions to fragrances, particularly in males. Sensitivity to other contact allergens (polysensitivity) was found in 62% of patients and polysensitivity presented more often with generalized contact dermatitis. The most sensitizing components of the fragrance mix that were tested in 38 patients were cinnamic alcohol, oak moss, and cinnamic aldehyde. There were 112 immediate patch test reactions to FM and 113 to BP in 664 patients. Immediate contact reactions were followed by delayed contact reactions in 13.4% of patients for FM and 8.8% for BP, representing a significant increase in the frequency of delayed contact reactions. Patients with immediate contact reactions to fragrances did not have a higher incidence of atopy (25.9%). No cases of positive photopatch test reactions to FM were seen. Fragrances commonly cause both delayed and immediate patch test reactions and patients with immediate contact reactions have an increase in delayed contact reactions to the same allergen.

  19. Conduction and Convection of Heat Produced by the Attenuation of Laser Beams in Liquids

    DTIC Science & Technology

    2007-09-01

    PROJECT NUMBER 7757 6. AUTHOR(S) +Goldberg, Irwin S.; +Garcia, Misty; # Maswadi , Saher ; ◊Thomas, Robert J.; □Clark, Clifton.D. 5e. TASK NUMBER...Misty Garcia St. Mary’s University Sahar Maswadi University of Texas Health Science Center Robert J. Thomas Air Force Research Laboratory...simulated temperature changes should be verified experimentally. For this purpose, the temperature mapping methods of Maswadi et al [2004] could be

  20. Interactions of Stress and Nicotine on Amplitude, Pre-Pulse Inhibition and Habituation of the Acoustic Startle Reflex

    DTIC Science & Technology

    1992-09-24

    Marquez , Armario , & Gelpi, 1988) consistent with a stress response . Restraint stress has been reported to increase the amplitude of sensory...and NE in the brain (Adell , Garcia- Marquez , Armario , & Gelpi , 1988) consistent with a stress response. Restraint stress has been reported t o...and non- reactive strains. Al coholism. Clinical and Experimental Research, ~(2), 170-174. Adell, A., Garcia - Marquez, C., Armario , A. , & Gelpi , E

  1. Studying chemical reactions in biological systems with MBN Explorer: implementation of molecular mechanics with dynamical topology

    NASA Astrophysics Data System (ADS)

    Sushko, Gennady B.; Solov'yov, Ilia A.; Verkhovtsev, Alexey V.; Volkov, Sergey N.; Solov'yov, Andrey V.

    2016-01-01

    The concept of molecular mechanics force field has been widely accepted nowadays for studying various processes in biomolecular systems. In this paper, we suggest a modification for the standard CHARMM force field that permits simulations of systems with dynamically changing molecular topologies. The implementation of the modified force field was carried out in the popular program MBN Explorer, and, to support the development, we provide several illustrative case studies where dynamical topology is necessary. In particular, it is shown that the modified molecular mechanics force field can be applied for studying processes where rupture of chemical bonds plays an essential role, e.g., in irradiation- or collision-induced damage, and also in transformation and fragmentation processes involving biomolecular systems. Contribution to the Topical Issue "COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy", edited by Andrey V. Solov'yov, Nigel Mason, Gustavo Garcia and Eugene Surdutovich.

  2. Concordant Chemical Reaction Networks and the Species-Reaction Graph

    PubMed Central

    Shinar, Guy; Feinberg, Martin

    2015-01-01

    In a recent paper it was shown that, for chemical reaction networks possessing a subtle structural property called concordance, dynamical behavior of a very circumscribed (and largely stable) kind is enforced, so long as the kinetics lies within the very broad and natural weakly monotonic class. In particular, multiple equilibria are precluded, as are degenerate positive equilibria. Moreover, under certain circumstances, also related to concordance, all real eigenvalues associated with a positive equilibrium are negative. Although concordance of a reaction network can be decided by readily available computational means, we show here that, when a nondegenerate network’s Species-Reaction Graph satisfies certain mild conditions, concordance and its dynamical consequences are ensured. These conditions are weaker than earlier ones invoked to establish kinetic system injectivity, which, in turn, is just one ramification of network concordance. Because the Species-Reaction Graph resembles pathway depictions often drawn by biochemists, results here expand the possibility of inferring significant dynamical information directly from standard biochemical reaction diagrams. PMID:22940368

  3. Interface Reactions and Synthetic Reaction of Composite Systems

    PubMed Central

    Park, Joon Sik; Kim, Jeong Min

    2010-01-01

    Interface reactions in composite systems often determine their overall properties, since product phases usually formed at interfaces during composite fabrication processing make up a large portion of the composites. Since most composite materials represent a ternary or higher order materials system, many studies have focused on analyses of diffusion phenomena and kinetics in multicomponent systems. However, the understanding of the kinetic behavior increases the complexity, since the kinetics of each component during interdiffusion reactions need to be defined for interpreting composite behaviors. From this standpoint, it is important to clarify the interface reactions for producing compatible interfaces with desired product phases. A thermodynamic evaluation such as a chemical potential of involving components can provide an understanding of the diffusion reactions, which govern diffusion pathways and product phase formation. A strategic approach for designing compatible interfaces is discussed in terms of chemical potential diagrams and interface morphology, with some material examples.

  4. Discussion of the Investigation Method on the Reaction Kinetics of Metallurgical Reaction Engineering

    NASA Astrophysics Data System (ADS)

    Du, Ruiling; Wu, Keng; Zhang, Jiazhi; Zhao, Yong

    Reaction kinetics of metallurgical physical chemistry which was successfully applied in metallurgy (as ferrous metallurgy, non-ferrous metallurgy) became an important theoretical foundation for subject system of traditional metallurgy. Not only the research methods were very perfect, but also the independent structures and systems of it had been formed. One of the important tasks of metallurgical reaction engineering was the simulation of metallurgical process. And then, the mechanism of reaction process and the conversion time points of different control links should be obtained accurately. Therefore, the research methods and results of reaction kinetics in metallurgical physical chemistry were not very suitable for metallurgical reaction engineering. In order to provide the definite conditions of transmission, reaction kinetics parameters and the conversion time points of different control links for solving the transmission and reaction equations in metallurgical reaction engineering, a new method for researching kinetics mechanisms in metallurgical reaction engineering was proposed, which was named stepwise attempt method. Then the comparison of results between the two methods and the further development of stepwise attempt method were discussed in this paper. As a new research method for reaction kinetics in metallurgical reaction engineering, stepwise attempt method could not only satisfy the development of metallurgical reaction engineering, but also provide necessary guarantees for establishing its independent subject system.

  5. Fractal reaction kinetics.

    PubMed

    Kopelman, R

    1988-09-23

    Classical reaction kinetics has been found to be unsatisfactory when the reactants are spatially constrained on the microscopic level by either walls, phase boundaries, or force fields. Recently discovered theories of heterogeneous reaction kinetics have dramatic consequences, such as fractal orders for elementary reactions, self-ordering and self-unmixing of reactants, and rate coefficients with temporal "memories." The new theories were needed to explain the results of experiments and supercomputer simulations of reactions that were confined to low dimensions or fractal dimensions or both. Among the practical examples of "fractal-like kinetics" are chemical reactions in pores of membranes, excitation trapping in molecular aggregates, exciton fusion in composite materials, and charge recombination in colloids and clouds.

  6. SPSS and SAS programs for addressing interdependence and basic levels-of-analysis issues in psychological data.

    PubMed

    O'Connor, Brian P

    2004-02-01

    Levels-of-analysis issues arise whenever individual-level data are collected from more than one person from the same dyad, family, classroom, work group, or other interaction unit. Interdependence in data from individuals in the same interaction units also violates the independence-of-observations assumption that underlies commonly used statistical tests. This article describes the data analysis challenges that are presented by these issues and presents SPSS and SAS programs for conducting appropriate analyses. The programs conduct the within-and-between-analyses described by Dansereau, Alutto, and Yammarino (1984) and the dyad-level analyses described by Gonzalez and Griffin (1999) and Griffin and Gonzalez (1995). Contrasts with general multilevel modeling procedures are then discussed.

  7. Organocatalytic aza-Michael/retro-aza-Michael reaction: pronounced chirality amplification in aza-Michael reaction and racemization via retro-aza-Michael reaction.

    PubMed

    Cai, Yong-Feng; Li, Li; Luo, Meng-Xian; Yang, Ke-Fang; Lai, Guo-Qiao; Jiang, Jian-Xiong; Xu, Li-Wen

    2011-05-01

    A detailed experimental investigation of an aza-Michael reaction of aniline and chalcone is presented. A series of Cinchona alkaloid-derived organocatalysts with different functional groups were prepared and used in the aza-Michael and retro-aza-Michael reaction. There was an interesting finding that a complete reversal of stereoselectivity when a benzoyl group was introduced to the cinchonine and cinchonidine. The chirality amplification vs. time proceeds in the quinine-derived organocatalyst containing silicon-based bulky group, QN-TBS, -catalyzed aza-Michael reaction under solvent-free conditions. In addition, we have demonstrated for the first time that racemization was occurred in suitable solvents under mild conditions due to retro-aza-Michael reaction of the Michael adduct of aniline with chalcone. These indicate the equilibrium of retro-aza-Michael reaction and aza-Michael reaction produce the happening of chirality amplification in aza-Michael reaction and racemization via retro-aza-Michael reaction under different conditions, which would be beneficial to the development of novel chiral catalysts for the aza-Michael reactions. Copyright © 2011 Wiley-Liss, Inc.

  8. Instances of Use of United States Armed Forces Abroad, 1798-2014

    DTIC Science & Technology

    2014-09-15

    Garcia, and Thomas J. Nicola . Instances of Use of United States Armed Forces Abroad, 1798-2014 Congressional Research Service Contents...landing zones near the U.S. Embassy in Saigon and the Tan Son Nhut Airfield. Mayaguez incident. On May 15, 1975, President Ford reported he had ordered...Report R41989, Congressional Authority to Limit Military Operations, by Jennifer K. Elsea, Michael John Garcia and Thomas J. Nicola . CRS Report R43344

  9. Issues In Modeling Military Space

    DTIC Science & Technology

    2002-03-26

    storm was so intense that the Aurora Borealis could be seen as far south as El Paso, Texas. In addition, the recent Leonid meteor shower in mid...control segment consists of five Monitor Stations located in Hawaii, Kwajalein, Ascension Island, Diego Garcia and Colorado Springs (NAVSTAR, 2...There are three ground antennas also located at Ascension Island, Diego Garcia, and Kwajalien (NAVSTAR, 3). The Master Control Station (MCS) is

  10. Explore the reaction mechanism of the Maillard reaction: a density functional theory study.

    PubMed

    Ren, Ge-Rui; Zhao, Li-Jiang; Sun, Qiang; Xie, Hu-Jun; Lei, Qun-Fang; Fang, Wen-Jun

    2015-05-01

    The mechanism of Maillard reaction has been investigated by means of density functional theory calculations in the gaseous phase and aqueous solution. The Maillard reaction is a cascade of consecutive and parallel reaction. In the present model system study, glucose and glycine were taken as the initial reactants. On the basis of previous experimental results, the mechanisms of Maillard reaction have been proposed, and the possibility for the formation of different compounds have been evaluated through calculating the relative energy changes for different steps of reaction under different pH conditions. Our calculations reveal that the TS3 in Amadori rearrangement reaction is the rate-determining step of Maillard reaction with the activation barriers of about 66.7 and 68.8 kcal mol(-1) in the gaseous phase and aqueous solution, respectively. The calculation results are in good agreement with previous studies and could provide insights into the reaction mechanism of Maillard reaction, since experimental evaluation of the role of intermediates in the Maillard reaction is quite complicated.

  11. Sleeve reaction chamber system

    DOEpatents

    Northrup, M Allen [Berkeley, CA; Beeman, Barton V [San Mateo, CA; Benett, William J [Livermore, CA; Hadley, Dean R [Manteca, CA; Landre, Phoebe [Livermore, CA; Lehew, Stacy L [Livermore, CA; Krulevitch, Peter A [Pleasanton, CA

    2009-08-25

    A chemical reaction chamber system that combines devices such as doped polysilicon for heating, bulk silicon for convective cooling, and thermoelectric (TE) coolers to augment the heating and cooling rates of the reaction chamber or chambers. In addition the system includes non-silicon-based reaction chambers such as any high thermal conductivity material used in combination with a thermoelectric cooling mechanism (i.e., Peltier device). The heat contained in the thermally conductive part of the system can be used/reused to heat the device, thereby conserving energy and expediting the heating/cooling rates. The system combines a micromachined silicon reaction chamber, for example, with an additional module/device for augmented heating/cooling using the Peltier effect. This additional module is particularly useful in extreme environments (very hot or extremely cold) where augmented heating/cooling would be useful to speed up the thermal cycling rates. The chemical reaction chamber system has various applications for synthesis or processing of organic, inorganic, or biochemical reactions, including the polymerase chain reaction (PCR) and/or other DNA reactions, such as the ligase chain reaction.

  12. Reaction mechanism and reaction coordinates from the viewpoint of energy flow

    PubMed Central

    2016-01-01

    Reaction coordinates are of central importance for correct understanding of reaction dynamics in complex systems, but their counter-intuitive nature made it a daunting challenge to identify them. Starting from an energetic view of a reaction process as stochastic energy flows biased towards preferred channels, which we deemed the reaction coordinates, we developed a rigorous scheme for decomposing energy changes of a system, both potential and kinetic, into pairwise components. The pairwise energy flows between different coordinates provide a concrete statistical mechanical language for depicting reaction mechanisms. Application of this scheme to the C7eq → C7ax transition of the alanine dipeptide in vacuum revealed novel and intriguing mechanisms that eluded previous investigations of this well studied prototype system for biomolecular conformational dynamics. Using a cost function developed from the energy decomposition components by proper averaging over the transition path ensemble, we were able to identify signatures of the reaction coordinates of this system without requiring any input from human intuition. PMID:27004858

  13. Reaction rates for a generalized reaction-diffusion master equation

    DOE PAGES

    Hellander, Stefan; Petzold, Linda

    2016-01-19

    It has been established that there is an inherent limit to the accuracy of the reaction-diffusion master equation. Specifically, there exists a fundamental lower bound on the mesh size, below which the accuracy deteriorates as the mesh is refined further. In this paper we extend the standard reaction-diffusion master equation to allow molecules occupying neighboring voxels to react, in contrast to the traditional approach in which molecules react only when occupying the same voxel. We derive reaction rates, in two dimensions as well as three dimensions, to obtain an optimal match to the more fine-grained Smoluchowski model, and show inmore » two numerical examples that the extended algorithm is accurate for a wide range of mesh sizes, allowing us to simulate systems that are intractable with the standard reaction-diffusion master equation. In addition, we show that for mesh sizes above the fundamental lower limit of the standard algorithm, the generalized algorithm reduces to the standard algorithm. We derive a lower limit for the generalized algorithm which, in both two dimensions and three dimensions, is on the order of the reaction radius of a reacting pair of molecules.« less

  14. Reaction rates for a generalized reaction-diffusion master equation

    PubMed Central

    Hellander, Stefan; Petzold, Linda

    2016-01-01

    It has been established that there is an inherent limit to the accuracy of the reaction-diffusion master equation. Specifically, there exists a fundamental lower bound on the mesh size, below which the accuracy deteriorates as the mesh is refined further. In this paper we extend the standard reaction-diffusion master equation to allow molecules occupying neighboring voxels to react, in contrast to the traditional approach in which molecules react only when occupying the same voxel. We derive reaction rates, in two dimensions as well as three dimensions, to obtain an optimal match to the more fine-grained Smoluchowski model, and show in two numerical examples that the extended algorithm is accurate for a wide range of mesh sizes, allowing us to simulate systems that are intractable with the standard reaction-diffusion master equation. In addition, we show that for mesh sizes above the fundamental lower limit of the standard algorithm, the generalized algorithm reduces to the standard algorithm. We derive a lower limit for the generalized algorithm which, in both two dimensions and three dimensions, is on the order of the reaction radius of a reacting pair of molecules. PMID:26871190

  15. Enhancing chemical reactions

    DOEpatents

    Morrey, John R.

    1978-01-01

    Methods of enhancing selected chemical reactions. The population of a selected high vibrational energy state of a reactant molecule is increased substantially above its population at thermal equilibrium by directing onto the molecule a beam of radiant energy from a laser having a combination of frequency and intensity selected to pump the selected energy state, and the reaction is carried out with the temperature, pressure, and concentrations of reactants maintained at a combination of values selected to optimize the reaction in preference to thermal degradation by transforming the absorbed energy into translational motion. The reaction temperature is selected to optimize the reaction. Typically a laser and a frequency doubler emit radiant energy at frequencies of .nu. and 2.nu. into an optical dye within an optical cavity capable of being tuned to a wanted frequency .delta. or a parametric oscillator comprising a non-centrosymmetric crystal having two indices of refraction, to emit radiant energy at the frequencies of .nu., 2.nu., and .delta. (and, with a parametric oscillator, also at 2.nu.-.delta.). Each unwanted frequency is filtered out, and each desired frequency is focused to the desired radiation flux within a reaction chamber and is reflected repeatedly through the chamber while reactants are fed into the chamber and reaction products are removed therefrom.

  16. ReactionPredictor: prediction of complex chemical reactions at the mechanistic level using machine learning.

    PubMed

    Kayala, Matthew A; Baldi, Pierre

    2012-10-22

    Proposing reasonable mechanisms and predicting the course of chemical reactions is important to the practice of organic chemistry. Approaches to reaction prediction have historically used obfuscating representations and manually encoded patterns or rules. Here we present ReactionPredictor, a machine learning approach to reaction prediction that models elementary, mechanistic reactions as interactions between approximate molecular orbitals (MOs). A training data set of productive reactions known to occur at reasonable rates and yields and verified by inclusion in the literature or textbooks is derived from an existing rule-based system and expanded upon with manual curation from graduate level textbooks. Using this training data set of complex polar, hypervalent, radical, and pericyclic reactions, a two-stage machine learning prediction framework is trained and validated. In the first stage, filtering models trained at the level of individual MOs are used to reduce the space of possible reactions to consider. In the second stage, ranking models over the filtered space of possible reactions are used to order the reactions such that the productive reactions are the top ranked. The resulting model, ReactionPredictor, perfectly ranks polar reactions 78.1% of the time and recovers all productive reactions 95.7% of the time when allowing for small numbers of errors. Pericyclic and radical reactions are perfectly ranked 85.8% and 77.0% of the time, respectively, rising to >93% recovery for both reaction types with a small number of allowed errors. Decisions about which of the polar, pericyclic, or radical reaction type ranking models to use can be made with >99% accuracy. Finally, for multistep reaction pathways, we implement the first mechanistic pathway predictor using constrained tree-search to discover a set of reasonable mechanistic steps from given reactants to given products. Webserver implementations of both the single step and pathway versions of Reaction

  17. Understanding the physics and chemistry of reaction mechanisms from atomic contributions: a reaction force perspective.

    PubMed

    Vöhringer-Martinez, Esteban; Toro-Labbé, Alejandro

    2012-07-12

    Studying chemical reactions involves the knowledge of the reaction mechanism. Despite activation barriers describing the kinetics or reaction energies reflecting thermodynamic aspects, identifying the underlying physics and chemistry along the reaction path contributes essentially to the overall understanding of reaction mechanisms, especially for catalysis. In the past years the reaction force has evolved as a valuable tool to discern between structural changes and electrons' rearrangement in chemical reactions. It provides a framework to analyze chemical reactions and additionally a rational partition of activation and reaction energies. Here, we propose to separate these energies further in atomic contributions, which will shed new insights in the underlying reaction mechanism. As first case studies we analyze two intramolecular proton transfer reactions. Despite the atom based separation of activation barriers and reaction energies, we also assign the participation of each atom in structural changes or electrons' rearrangement along the intrinsic reaction coordinate. These participations allow us to identify the role of each atom in the two reactions and therfore the underlying chemistry. The knowledge of the reaction chemistry immediately leads us to suggest replacements with other atom types that would facilitate certain processes in the reaction. The characterization of the contribution of each atom to the reaction energetics, additionally, identifies the reactive center of a molecular system that unites the main atoms contributing to the potential energy change along the reaction path.

  18. Modulating the DNA polymerase β reaction equilibrium to dissect the reverse reaction

    PubMed Central

    Shock, David D.; Freudenthal, Bret D.; Beard, William A.; Wilson, Samuel H.

    2017-01-01

    DNA polymerases catalyze efficient and high fidelity DNA synthesis. While this reaction favors nucleotide incorporation, polymerases also catalyze a reverse reaction, pyrophosphorolysis, removing the DNA primer terminus and generating deoxynucleoside triphosphates. Since pyrophosphorolysis can influence polymerase fidelity and sensitivity to chain-terminating nucleosides, we analyzed pyrophosphorolysis with human DNA polymerase β and found the reaction to be inefficient. The lack of a thio-elemental effect indicated that it was limited by a non-chemical step. Utilizing a pyrophosphate analog, where the bridging oxygen is replaced with an imido-group (PNP), increased the rate of the reverse reaction and displayed a large thio-elemental effect indicating that chemistry was now rate determining. Time-lapse crystallography with PNP captured structures consistent with a chemical equilibrium that favored the reverse reaction. These results highlight the importance of the bridging atom between the β- and γ-phosphates of the incoming nucleotide in reaction chemistry, enzyme conformational changes, and overall reaction equilibrium. PMID:28759020

  19. Stochastic surface walking reaction sampling for resolving heterogeneous catalytic reaction network: A revisit to the mechanism of water-gas shift reaction on Cu

    NASA Astrophysics Data System (ADS)

    Zhang, Xiao-Jie; Shang, Cheng; Liu, Zhi-Pan

    2017-10-01

    Heterogeneous catalytic reactions on surface and interfaces are renowned for ample intermediate adsorbates and complex reaction networks. The common practice to reveal the reaction mechanism is via theoretical computation, which locates all likely transition states based on the pre-guessed reaction mechanism. Here we develop a new theoretical method, namely, stochastic surface walking (SSW)-Cat method, to resolve the lowest energy reaction pathway of heterogeneous catalytic reactions, which combines our recently developed SSW global structure optimization and SSW reaction sampling. The SSW-Cat is automated and massively parallel, taking a rough reaction pattern as input to guide reaction search. We present the detailed algorithm, discuss the key features, and demonstrate the efficiency in a model catalytic reaction, water-gas shift reaction on Cu(111) (CO + H2O → CO2 + H2). The SSW-Cat simulation shows that water dissociation is the rate-determining step and formic acid (HCOOH) is the kinetically favorable product, instead of the observed final products, CO2 and H2. It implies that CO2 and H2 are secondary products from further decomposition of HCOOH at high temperatures. Being a general purpose tool for reaction prediction, the SSW-Cat may be utilized for rational catalyst design via large-scale computations.

  20. Ion-Molecule Reaction Dynamics

    NASA Astrophysics Data System (ADS)

    Meyer, Jennifer; Wester, Roland

    2017-05-01

    We review the recent advances in the investigation of the dynamics of ion-molecule reactions. During the past decade, the combination of single-collision experiments in crossed ion and neutral beams with the velocity map ion imaging detection technique has enabled a wealth of studies on ion-molecule reactions. These methods, in combination with chemical dynamics simulations, have uncovered new and unexpected reaction mechanisms, such as the roundabout mechanism and the subtle influence of the leaving group in anion-molecule nucleophilic substitution reactions. For this important class of reactions, as well as for many fundamental cation-molecule reactions, the information obtained with crossed-beam imaging is discussed. The first steps toward understanding micro-solvation of ion-molecule reaction dynamics are presented. We conclude with the presentation of several interesting directions for future research.

  1. Effects of Strain Path on the Microstructure of Aluminum Alloys During Equal Channel Angular Pressing (ECAP)

    DTIC Science & Technology

    2007-12-01

    processing route at this level. A recent study by Garcia-Infanta, et al., of a hypo- eutectic Al-7%Si alloy with spheroidal primary aluminum grains is a...compared with the model proposed by Garcia-Infanta, et al. [10]. Further, annealing studies will be performed to determine the recrystallization ...study conducted at 450°C as a function of time to assess recrystallization and grain growth. Two data points per sample were taken from different

  2. Republic of the Philippines-United States Defense Cooperation: Opportunities and Challenges, A Filipino Perspective

    DTIC Science & Technology

    2010-03-01

    International Relations and Strategic Studies, 1994) 4. 26 Thomas Garcia , “The Potential Role of the Philippines in U.S. Naval Forward Presence (Monterey...Asia: The Way Forward,” Ocean Development and International Law 33 (September 27, 2007). 46 Ibid. 47 Rolando Supapo, US-Philippine Security...accessed November 22, 2009). 62 Mark Manyin, Michael John Garcia and Wayne Morrison, "US Accession to ASEAN’s Treaty of Amity and Cooperation (TAC

  3. Strategy in Latin American Revolutionary Politics.

    DTIC Science & Technology

    1983-11-21

    Also on the impor- tance of this future state apparatus see Rolando E. Bonachea and Nelson P. Valdes, eds., "Guerrilla Warfare: A Method," Che:Selected...that true power lay with the Guardia and its commander, Anastasio ("Tacho") Somoza Garcia . 8 Once in power, Somoza transformed the Liberal party into...and the PLN. The traditional political parties continued to decline in cohesion and efficacy under the dynasty. Somoza Garcia ruled until his

  4. The Navy Supply Corps Newsletter, March-April 2000

    DTIC Science & Technology

    2000-04-01

    Logistics Overhaul Team, Jackson- ville, Fla., November 1996 through Janu- ary 2000. Navy and Marine Corps Commendation Medal SHCS (SW) Rolando C...Storekeeper in USS Boone (FFG 28), No- vember 1998 to April 1999. SH1 Andeluvia U. Garcia , USN, (Gold Star in lieu of Fourth Award), Ship’s Store Spe...University, San Francisco, Calif. His previous duty stations include Naval Support Facility, Diego Garcia ; Commander Naval Special Warfare Devel- opment

  5. Reaction mechanism and reaction coordinates from the viewpoint of energy flow

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

    Li, Wenjin; Ma, Ao, E-mail: aoma@uic.edu

    Reaction coordinates are of central importance for correct understanding of reaction dynamics in complex systems, but their counter-intuitive nature made it a daunting challenge to identify them. Starting from an energetic view of a reaction process as stochastic energy flows biased towards preferred channels, which we deemed the reaction coordinates, we developed a rigorous scheme for decomposing energy changes of a system, both potential and kinetic, into pairwise components. The pairwise energy flows between different coordinates provide a concrete statistical mechanical language for depicting reaction mechanisms. Application of this scheme to the C{sub 7eq} → C{sub 7ax} transition of themore » alanine dipeptide in vacuum revealed novel and intriguing mechanisms that eluded previous investigations of this well studied prototype system for biomolecular conformational dynamics. Using a cost function developed from the energy decomposition components by proper averaging over the transition path ensemble, we were able to identify signatures of the reaction coordinates of this system without requiring any input from human intuition.« less

  6. Mining chemical reactions using neighborhood behavior and condensed graphs of reactions approaches.

    PubMed

    de Luca, Aurélie; Horvath, Dragos; Marcou, Gilles; Solov'ev, Vitaly; Varnek, Alexandre

    2012-09-24

    This work addresses the problem of similarity search and classification of chemical reactions using Neighborhood Behavior (NB) and Condensed Graphs of Reaction (CGR) approaches. The CGR formalism represents chemical reactions as a classical molecular graph with dynamic bonds, enabling descriptor calculations on this graph. Different types of the ISIDA fragment descriptors generated for CGRs in combination with two metrics--Tanimoto and Euclidean--were considered as chemical spaces, to serve for reaction dissimilarity scoring. The NB method has been used to select an optimal combination of descriptors which distinguish different types of chemical reactions in a database containing 8544 reactions of 9 classes. Relevance of NB analysis has been validated in generic (multiclass) similarity search and in clustering with Self-Organizing Maps (SOM). NB-compliant sets of descriptors were shown to display enhanced mapping propensities, allowing the construction of better Self-Organizing Maps and similarity searches (NB and classical similarity search criteria--AUC ROC--correlate at a level of 0.7). The analysis of the SOM clusters proved chemically meaningful CGR substructures representing specific reaction signatures.

  7. Bayesian Estimation of Thermonuclear Reaction Rates for Deuterium+Deuterium Reactions

    NASA Astrophysics Data System (ADS)

    Gómez Iñesta, Á.; Iliadis, C.; Coc, A.

    2017-11-01

    The study of d+d reactions is of major interest since their reaction rates affect the predicted abundances of D, 3He, and 7Li. In particular, recent measurements of primordial D/H ratios call for reduced uncertainties in the theoretical abundances predicted by Big Bang nucleosynthesis (BBN). Different authors have studied reactions involved in BBN by incorporating new experimental data and a careful treatment of systematic and probabilistic uncertainties. To analyze the experimental data, Coc et al. used results of ab initio models for the theoretical calculation of the energy dependence of S-factors in conjunction with traditional statistical methods based on χ 2 minimization. Bayesian methods have now spread to many scientific fields and provide numerous advantages in data analysis. Astrophysical S-factors and reaction rates using Bayesian statistics were calculated by Iliadis et al. Here we present a similar analysis for two d+d reactions, d(d, n)3He and d(d, p)3H, that has been translated into a total decrease of the predicted D/H value by 0.16%.

  8. Chemical potential and reaction electronic flux in symmetry controlled reactions.

    PubMed

    Vogt-Geisse, Stefan; Toro-Labbé, Alejandro

    2016-07-15

    In symmetry controlled reactions, orbital degeneracies among orbitals of different symmetries can occur along a reaction coordinate. In such case Koopmans' theorem and the finite difference approximation provide a chemical potential profile with nondifferentiable points. This results in an ill-defined reaction electronic flux (REF) profile, since it is defined as the derivative of the chemical potential with respect to the reaction coordinate. To overcome this deficiency, we propose a new way for the calculation of the chemical potential based on a many orbital approach, suitable for reactions in which symmetry is preserved. This new approach gives rise to a new descriptor: symmetry adapted chemical potential (SA-CP), which is the chemical potential corresponding to a given irreducible representation of a symmetry group. A corresponding symmetry adapted reaction electronic flux (SA-REF) is also obtained. Using this approach smooth chemical potential profiles and well defined REFs are achieved. An application of SA-CP and SA-REF is presented by studying the Cs enol-keto tautomerization of thioformic acid. Two SA-REFs are obtained, JA'(ξ) and JA'' (ξ). It is found that the tautomerization proceeds via an in-plane delocalized 3-center 4-electron O-H-S hypervalent bond which is predicted to exist only in the transition state (TS) region. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  9. Transport—Reaction process in the reaction of flue gas desulfurization

    NASA Astrophysics Data System (ADS)

    Yan, Yan; Peng, Xiaofeng; Lee, Duu Jong

    2000-12-01

    A theoretical investigation was conducted to study the transport-reaction process in the spray-drying flue gas desulfurization. A transport-reaction model of single particle was proposed, which considered the water evaporation from the surface of droplet and the reaction at the same time. Based on this model, the reaction rate and the absorbent utilization can be calculated. The most appropriate particle radius and the initial absorbent concentration can be deduced through comparing the wet lifetime with the residence time, the result shows in the case that the partial pressure of vapor in the bulk flue gas is 2000Pa, the optimum initial radius and absorbent concentration are 210 310 µ m and 23% respectively. The model can supply the optimum parameters for semi-dry FGD system designed.

  10. RxnFinder: biochemical reaction search engines using molecular structures, molecular fragments and reaction similarity.

    PubMed

    Hu, Qian-Nan; Deng, Zhe; Hu, Huanan; Cao, Dong-Sheng; Liang, Yi-Zeng

    2011-09-01

    Biochemical reactions play a key role to help sustain life and allow cells to grow. RxnFinder was developed to search biochemical reactions from KEGG reaction database using three search criteria: molecular structures, molecular fragments and reaction similarity. RxnFinder is helpful to get reference reactions for biosynthesis and xenobiotics metabolism. RxnFinder is freely available via: http://sdd.whu.edu.cn/rxnfinder. qnhu@whu.edu.cn.

  11. International Workshop on Glasses and Ceramics, Hybrids and Nanocomposites from Gels (9th); Sol-Gel 󈨥 Held in Centre for Glass Research, The University of Sheffield, UK on 31 August-5 September 1997

    DTIC Science & Technology

    1998-01-01

    Ormosils E. Blanco, M. Garcia-Hernändez, R. Jimenez-Rioböo, R. Liträn, C. Prieto and M. Ramirez -del-Solar 451 Hybrid Xerogel Structure and...Garcia M., E. Ramirez J., M.A. Mondragon, R. Ortega, P. Loza and A. Campero 657 Thermochromic Properties of Silver Colloids Embedded in Si02...C.S.I.C, Cantoblanco, E-28049-Madrid, Spain M. RAMIREZ -DEL-SOLAR Departamento de Fisica de la Materia Condensada, Universidad de Cadiz, Apartado

  12. A multi-purpose reaction cell for the investigation of reactions under solvothermal conditions

    NASA Astrophysics Data System (ADS)

    Heidenreich, N.; Rütt, U.; Köppen, M.; Inge, A. Ken; Beier, S.; Dippel, A.-C.; Suren, R.; Stock, N.

    2017-10-01

    A new versatile and easy-to-use remote-controlled reactor setup aimed at the analysis of chemical reactions under solvothermal conditions has been constructed. The reactor includes a heating system that can precisely control the temperature inside the reaction vessels in a range between ambient temperature and 180 °C. As reaction vessels, two sizes of commercially available borosilicate vessels (Vmax = 5 and 11 ml) can be used. The setup furthermore includes the option of stirring and injecting of up to two liquid additives or one solid during the reaction to initiate very fast reactions, quench reactions, or alter chemical parameters. In addition to a detailed description of the general setup and its functionality, three examples of studies conducted using this setup are presented.

  13. Sin, suffering, and the need for the theological virtues.

    PubMed

    Jones, David Albert

    2006-08-01

    This article examines the account of the relationship between sin and suffering provided by J. L. A. Garcia in "Sin and Suffering in a Catholic Understanding of Medical Ethics," in this issue. Garcia draws on the (Roman) Catholic tradition and particularly on the thought of Thomas Aquinas, who remains an important resource for Catholic theology. Nevertheless, his interpretation of Thomas is open to criticism, both in terms of omissions and in terms of positive claims. Garcia includes those elements of Thomas that are purely philosophical, such as natural law and acquired virtue, but neglects the theological and infused virtues, the gifts and fruits of the Holy Spirit, and the beatitudes. These omissions distort his account of the Christian life so that he underplays both the radical problem posed by sin (and suffering), and the radical character of the ultimate solution: redemption in Christ through the grace of the Holy Spirit.

  14. Nonequilibrium thermodynamics and a fluctuation theorem for individual reaction steps in a chemical reaction network

    NASA Astrophysics Data System (ADS)

    Pal, Krishnendu; Das, Biswajit; Banerjee, Kinshuk; Gangopadhyay, Gautam

    2015-09-01

    We have introduced an approach to nonequilibrium thermodynamics of an open chemical reaction network in terms of the propensities of the individual elementary reactions and the corresponding reverse reactions. The method is a microscopic formulation of the dissipation function in terms of the relative entropy or Kullback-Leibler distance which is based on the analogy of phase space trajectory with the path of elementary reactions in a network of chemical process. We have introduced here a fluctuation theorem valid for each opposite pair of elementary reactions which is useful in determining the contribution of each sub-reaction on the nonequilibrium thermodynamics of overall reaction. The methodology is applied to an oligomeric enzyme kinetics at a chemiostatic condition that leads the reaction to a nonequilibrium steady state for which we have estimated how each step of the reaction is energy driven or entropy driven to contribute to the overall reaction.

  15. List of Participants

    NASA Astrophysics Data System (ADS)

    2011-08-01

    Abigail Alvarez OlarteCINVESTAV Alba Leticia Carrillo MonteverdeDCI-UG Alberto CarramiñanaINAOE Aldo MorselliFERMI Alejandro CastillaDCI-UG Alejandro IbarraTechnical University of Munich Alma D Rojas PachecoFCFM-BUAP Alma Xochitl Gonzalez MoralesInstituto de Ciencias Nucleares, UNAM Andrew Walcott BeckwithAmerican Institute of Beam Energy Physics Ariadna Montiel ArenasDepartamento de Física, CINVESTAV Arnulfo ZepedaCinvestav Arturo Alvarez CruzInstituto de Fisica, UNAM Axel de la MacorraUNAM, IAC Azar MustafayevUniversity of Minnesota Benjamin JaramilloDCI-UG Vincent BertinCPPM-Marseille Carlos Alberto Vaquera-AraujoDCI-UG Carlos MuñozMadrid Autonoma U. & Madrid, IFT Carmine PagliaroneINFN, FNAL Carolina Lujan PeschardDCI-UG Christiane Frigerio MartinsUniversidade Federal do ABC-São Paulo Csaba BalazsMonash University David DelepineDCI-UG David G CerdenoUniversidad Autonoma de Madrid & Instituto de Fisica Teorica Debasish MajumdarSaha Institute of Nuclear Physics, Kolkata, India Dibyendu PanigrahiKandi Raj College, Kandi, Murshidabad, INDIA-742137 Dupret Alberto Santana BejaranoUniversidad de Sonora Departamento de Investigacion en Fisica Ernest MaRiverside U.C. Esteban Alejandro Reyes Pírez MontañezInstituto de Física, UNAM Federico Ortiz TrejoINSTITUTO DE ASTRONOMÍA - UNAM Francisco José de Anda NavarroUniversidad de Guadalajara González Alvarez Francisco JavierCINVESTAV-Depto. Física Gustavo Medina TancoICN-UNAM Hernando Efrain Caicedo OrtizInstituto Politecnico Nacional - IPN J D VergadosCERN & Ioannina U. James R BoyceJefferson Lab Jason SteffenFERMILAB Javier Montaño DomínguezDCI-UG Jeevan SolankiMandsaur Institue of Technology MP India Joe SatoSaitama University Jorge Luis Navarro EstradaUNAM-ICN and Universidad del Atlantico (B/quilla-Col.) Jose A R CembranosUniversity of Minnesota José DíazIFIC Jose Didino Garcia AguilarDepto. de Fisica. Cinvestav Keith OliveUniversity of Minnesota Konstantia BalasiUniversity of Ioannina, Greece Lilian Prado

  16. Microscale Thermite Reactions.

    ERIC Educational Resources Information Center

    Arnaiz, Francisco J.; Aguado, Rafael; Arnaiz, Susana

    1998-01-01

    Describes the adaptation of thermite (aluminum with metal oxides) reactions from whole-class demonstrations to student-run micro-reactions. Lists detailed directions and possible variations of the experiment. (WRM)

  17. Catalysis of Photochemical Reactions.

    ERIC Educational Resources Information Center

    Albini, A.

    1986-01-01

    Offers a classification system of catalytic effects in photochemical reactions, contrasting characteristic properties of photochemical and thermal reactions. Discusses catalysis and sensitization, examples of catalyzed reactions of excepted states, complexing ground state substrates, and catalysis of primary photoproducts. (JM)

  18. Confining Domains Lead to Reaction Bursts: Reaction Kinetics in the Plasma Membrane

    PubMed Central

    Kalay, Ziya; Fujiwara, Takahiro K.; Kusumi, Akihiro

    2012-01-01

    Confinement of molecules in specific small volumes and areas within a cell is likely to be a general strategy that is developed during evolution for regulating the interactions and functions of biomolecules. The cellular plasma membrane, which is the outermost membrane that surrounds the entire cell, was considered to be a continuous two-dimensional liquid, but it is becoming clear that it consists of numerous nano-meso-scale domains with various lifetimes, such as raft domains and cytoskeleton-induced compartments, and membrane molecules are dynamically trapped in these domains. In this article, we give a theoretical account on the effects of molecular confinement on reversible bimolecular reactions in a partitioned surface such as the plasma membrane. By performing simulations based on a lattice-based model of diffusion and reaction, we found that in the presence of membrane partitioning, bimolecular reactions that occur in each compartment proceed in bursts during which the reaction rate is sharply and briefly increased even though the asymptotic reaction rate remains the same. We characterized the time between reaction bursts and the burst amplitude as a function of the model parameters, and discussed the biological significance of the reaction bursts in the presence of strong inhibitor activity. PMID:22479350

  19. Model Experiment of Thermal Runaway Reactions Using the Aluminum-Hydrochloric Acid Reaction

    ERIC Educational Resources Information Center

    Kitabayashi, Suguru; Nakano, Masayoshi; Nishikawa, Kazuyuki; Koga, Nobuyoshi

    2016-01-01

    A laboratory exercise for the education of students about thermal runaway reactions based on the reaction between aluminum and hydrochloric acid as a model reaction is proposed. In the introductory part of the exercise, the induction period and subsequent thermal runaway behavior are evaluated via a simple observation of hydrogen gas evolution and…

  20. Photon induced {lambda}(1520) production and the role of the K* exchange

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

    Toki, Hiroshi; Research Center for Nuclear Physics; Garcia-Recio, Carmen

    2008-02-01

    We study the photon induced {lambda}(1520) production in the effective Lagrangian method near threshold, E{sub {gamma}}{sup LAB}{<=}2 GeV, and in the quark-gluon string model at higher energies 3 GeV{<=}E{sub {gamma}}{sup LAB}{<=}5 GeV. In particular, we study the role of the K* exchange for the production of {lambda}(1520) within the SU(6) Weinberg-Tomozowa chiral unitary model proposed by Garcia-Recio, Nieves, and Salcedo [Phys. Rev. D 74, 034025 (2006)]. The coupling of the {lambda}(1520) resonance to the NK* pair, which is dynamically generated, turns out to be relatively small and, thus, the K exchange mechanism dominates the reaction. In the higher energy region,more » where experimental data are available, the quark-gluon string mechanism with the K Regge trajectory reproduces both the energy and the angular distribution dependences of the {lambda}(1520) photoproduction reaction.« less

  1. ARC-2008-ACD08-0200-008

    NASA Image and Video Library

    2008-09-11

    September 11th remembrance ceremony held in front of NASA Research Park Bldg-17 (Lunar Science Institute) hosted by the American Legion, Post 881, Moffett Field. Pledge of Allegiance by Brandon Gonzalez

  2. Walking delays anticipatory postural adjustments but not reaction times in a choice reaction task.

    PubMed

    Haridas, C; Gordon, I T; Misiaszek, J E

    2005-06-01

    During standing, anticipatory postural adjustments (APAs) and focal movements are delayed while performing a choice reaction task, compared with a simple reaction task. We hypothesized that APAs and focal movements of a choice reaction task would be similarly delayed during walking. Furthermore, reaction times are delayed during walking compared with standing. We further hypothesized that APAs and focal movements would be delayed during walking, compared with standing, for both simple and choice reaction tasks. Subjects either walked or stood on a treadmill while holding on to stable handles. They were asked to push or pull on the handles in response to a visual cue. Muscle activity was recorded from muscles of the leg (APA) and arm (RT). Our results were in agreement with previous work showing APA onset was delayed in the choice reaction task compared with the simple reaction task. In addition, the interval between the onset of APA and focal movement activity increased with choice reaction tasks. The task of walking did not delay the onset of focal movement for either the simple or choice reaction tasks. Walking did delay the onset of the APA, but only during choice reaction tasks. The results suggest the added demand of walking does not significantly modify the control of focal arm movements. However, additional attentional demands while walking may compromise anticipatory postural control.

  3. Influenza-Like Illness Sentinel Surveillance in Peru

    DTIC Science & Technology

    2009-07-01

    Influenza Fact Sheet. Available: http:// www.who.int/mediacentre/factsheets/fs211/en. Accessed 2007 Oct 30. 6. Cox NJ, Subbarao K (1999) Influenza. Lancet...354: 1277–1282. 7. Cox NJ, Subbarao K (2000) Global epidemiology of influenza: past and present. Annu Rev Med 51: 407–421. 8. Garcia-Garcia J, Ramos C...common viral agents isolated were influenza A virus (25.1%), influenza B virus (9.7%), parainfluenza viruses 1, 2, and 3, (HPIV-1,-2,-3; 3.2%), herpes

  4. Unraveling the Nature of Chemical Reactivity of Complex Systems

    DTIC Science & Technology

    2009-01-13

    28 J. Zhou, J. J. Lin, W. Shiu, and K. Liu, J. Chem. Phys. 119, 4997 2003. 29 S. C. Althorpe, F. Fernandez - Alonso , B. D. Bean, J. D. Ayers, A. E...Truhlar DG, Espinosa- Garcia J (2000) Potential energy surface, thermal, and state-selected rate coefficients, and kinetic isotope effects for Cl CH43...HCl CH3. J Chem Phys 112:9375–9389. 22. Rangel C, Navarrete M, Corchado JC, Espinosa- Garcia J (2006) Potential energy surface, kinetics, and

  5. Automatic NMR-Based Identification of Chemical Reaction Types in Mixtures of Co-Occurring Reactions

    PubMed Central

    Latino, Diogo A. R. S.; Aires-de-Sousa, João

    2014-01-01

    The combination of chemoinformatics approaches with NMR techniques and the increasing availability of data allow the resolution of problems far beyond the original application of NMR in structure elucidation/verification. The diversity of applications can range from process monitoring, metabolic profiling, authentication of products, to quality control. An application related to the automatic analysis of complex mixtures concerns mixtures of chemical reactions. We encoded mixtures of chemical reactions with the difference between the 1H NMR spectra of the products and the reactants. All the signals arising from all the reactants of the co-occurring reactions were taken together (a simulated spectrum of the mixture of reactants) and the same was done for products. The difference spectrum is taken as the representation of the mixture of chemical reactions. A data set of 181 chemical reactions was used, each reaction manually assigned to one of 6 types. From this dataset, we simulated mixtures where two reactions of different types would occur simultaneously. Automatic learning methods were trained to classify the reactions occurring in a mixture from the 1H NMR-based descriptor of the mixture. Unsupervised learning methods (self-organizing maps) produced a reasonable clustering of the mixtures by reaction type, and allowed the correct classification of 80% and 63% of the mixtures in two independent test sets of different similarity to the training set. With random forests (RF), the percentage of correct classifications was increased to 99% and 80% for the same test sets. The RF probability associated to the predictions yielded a robust indication of their reliability. This study demonstrates the possibility of applying machine learning methods to automatically identify types of co-occurring chemical reactions from NMR data. Using no explicit structural information about the reactions participants, reaction elucidation is performed without structure elucidation of the

  6. Automatic NMR-based identification of chemical reaction types in mixtures of co-occurring reactions.

    PubMed

    Latino, Diogo A R S; Aires-de-Sousa, João

    2014-01-01

    The combination of chemoinformatics approaches with NMR techniques and the increasing availability of data allow the resolution of problems far beyond the original application of NMR in structure elucidation/verification. The diversity of applications can range from process monitoring, metabolic profiling, authentication of products, to quality control. An application related to the automatic analysis of complex mixtures concerns mixtures of chemical reactions. We encoded mixtures of chemical reactions with the difference between the (1)H NMR spectra of the products and the reactants. All the signals arising from all the reactants of the co-occurring reactions were taken together (a simulated spectrum of the mixture of reactants) and the same was done for products. The difference spectrum is taken as the representation of the mixture of chemical reactions. A data set of 181 chemical reactions was used, each reaction manually assigned to one of 6 types. From this dataset, we simulated mixtures where two reactions of different types would occur simultaneously. Automatic learning methods were trained to classify the reactions occurring in a mixture from the (1)H NMR-based descriptor of the mixture. Unsupervised learning methods (self-organizing maps) produced a reasonable clustering of the mixtures by reaction type, and allowed the correct classification of 80% and 63% of the mixtures in two independent test sets of different similarity to the training set. With random forests (RF), the percentage of correct classifications was increased to 99% and 80% for the same test sets. The RF probability associated to the predictions yielded a robust indication of their reliability. This study demonstrates the possibility of applying machine learning methods to automatically identify types of co-occurring chemical reactions from NMR data. Using no explicit structural information about the reactions participants, reaction elucidation is performed without structure elucidation of

  7. Effects of reaction-kinetic parameters on modeling reaction pathways in GaN MOVPE growth

    NASA Astrophysics Data System (ADS)

    Zhang, Hong; Zuo, Ran; Zhang, Guoyi

    2017-11-01

    In the modeling of the reaction-transport process in GaN MOVPE growth, the selections of kinetic parameters (activation energy Ea and pre-exponential factor A) for gas reactions are quite uncertain, which cause uncertainties in both gas reaction path and growth rate. In this study, numerical modeling of the reaction-transport process for GaN MOVPE growth in a vertical rotating disk reactor is conducted with varying kinetic parameters for main reaction paths. By comparisons of the molar concentrations of major Ga-containing species and the growth rates, the effects of kinetic parameters on gas reaction paths are determined. The results show that, depending on the values of the kinetic parameters, the gas reaction path may be dominated either by adduct/amide formation path, or by TMG pyrolysis path, or by both. Although the reaction path varies with different kinetic parameters, the predicted growth rates change only slightly because the total transport rate of Ga-containing species to the substrate changes slightly with reaction paths. This explains why previous authors using different chemical models predicted growth rates close to the experiment values. By varying the pre-exponential factor for the amide trimerization, it is found that the more trimers are formed, the lower the growth rates are than the experimental value, which indicates that trimers are poor growth precursors, because of thermal diffusion effect caused by high temperature gradient. The effective order for the contribution of major species to growth rate is found as: pyrolysis species > amides > trimers. The study also shows that radical reactions have little effect on gas reaction path because of the generation and depletion of H radicals in the chain reactions when NH2 is considered as the end species.

  8. The redox-Mannich reaction.

    PubMed

    Chen, Weijie; Seidel, Daniel

    2014-06-06

    A complement to the classic three-component Mannich reaction, the redox-Mannich reaction, utilizes the same starting materials but incorporates an isomerization step that enables the facile preparation of ring-substituted β-amino ketones. Reactions occur under relatively mild conditions and are facilitated by benzoic acid.

  9. Unraveling reaction pathways and specifying reaction kinetics for complex systems.

    PubMed

    Vinu, R; Broadbelt, Linda J

    2012-01-01

    Many natural and industrial processes involve a complex set of competing reactions that include several different species. Detailed kinetic modeling of such systems can shed light on the important pathways involved in various transformations and therefore can be used to optimize the process conditions for the desired product composition and properties. This review focuses on elucidating the various components involved in modeling the kinetics of pyrolysis and oxidation of polymers. The elementary free radical steps that constitute the chain reaction mechanism of gas-phase/nonpolar liquid-phase processes are outlined. Specification of the rate coefficients of the various reaction families, which is central to the theme of kinetics, is described. Construction of the reaction network on the basis of the types of end groups and reactive moieties in a polymer chain is discussed. Modeling frameworks based on the method of moments and kinetic Monte Carlo are evaluated using illustrations. Finally, the prospects and challenges in modeling biomass conversion are addressed.

  10. Transfusion reaction - hemolytic

    MedlinePlus

    ... blood, your body produces antibodies to destroy the donor's blood cells. This process causes the transfusion reaction. Blood ... of transfusion reaction. Before a transfusion, recipient and donor blood are tested (cross-matched) to see if they ...

  11. Extension of a Kinetic-Theory Approach for Computing Chemical-Reaction Rates to Reactions with Charged Particles

    NASA Technical Reports Server (NTRS)

    Liechty, Derek S.; Lewis, Mark J.

    2010-01-01

    Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties (i.e., no macroscopic reaction rate information) are extended to include reactions involving charged particles and electronic energy levels. The proposed extensions include ionization reactions, exothermic associative ionization reactions, endothermic and exothermic charge exchange reactions, and other exchange reactions involving ionized species. The extensions are shown to agree favorably with the measured Arrhenius rates for near-equilibrium conditions.

  12. Unimolecular reaction of acetone oxide and its reaction with water in the atmosphere.

    PubMed

    Long, Bo; Bao, Junwei Lucas; Truhlar, Donald G

    2018-05-29

    Criegee intermediates (i.e., carbonyl oxides with two radical sites) are known to be important atmospheric reagents; however, our knowledge of their reaction kinetics is still limited. Although experimental methods have been developed to directly measure the reaction rate constants of stabilized Criegee intermediates, the experimental results cover limited temperature ranges and do not completely agree well with one another. Here we investigate the unimolecular reaction of acetone oxide [(CH 3 ) 2 COO] and its bimolecular reaction with H 2 O to obtain rate constants with quantitative accuracy comparable to experimental accuracy. We do this by using CCSDT(Q)/CBS//CCSD(T)-F12a/DZ-F12 benchmark results to select and validate exchange-correlation functionals, which are then used for direct dynamics calculations by variational transition state theory with small-curvature tunneling and torsional and high-frequency anharmonicity. We find that tunneling is very significant in the unimolecular reaction of (CH 3 ) 2 COO and its bimolecular reaction with H 2 O. We show that the atmospheric lifetimes of (CH 3 ) 2 COO depend on temperature and that the unimolecular reaction of (CH 3 ) 2 COO is the dominant decay mode above 240 K, while the (CH 3 ) 2 COO + SO 2 reaction can compete with the corresponding unimolecular reaction below 240 K when the SO 2 concentration is 9 × 10 10 molecules per cubic centimeter. We also find that experimental results may not be sufficiently accurate for the unimolecular reaction of (CH 3 ) 2 COO above 310 K. Not only does the present investigation provide insights into the decay of (CH 3 ) 2 COO in the atmosphere, but it also provides an illustration of how to use theoretical methods to predict quantitative rate constants of medium-sized Criegee intermediates.

  13. Infrared Spectroscopy of Star Formation in Galactic and Extragalactic Regions

    NASA Technical Reports Server (NTRS)

    Smith, Howard A.; Hasan, Hashima (Technical Monitor)

    2004-01-01

    Last year we submitted and had accepted a paper entitled "The Far-Infrared Emission Line and Continuum Spectrum of the Seyfert Galaxy NGC 1068," by Spinoglio, L., Malkan, M., Smith. HA, Gonzalez-Alfonso, E., and Fischer, J. This analysis was based on the SWAS Monte Carlo code modeling of the OH lines in galaxies observed by ISO. Since that meeting last spring considerable effort has been put into improving the Monte Carlo code. A group of European astronomers, including Prof. Eduardo Gonzalez-Alfonso, had been performing Monte Carlo modeling of other molecules seen in ISO galaxies. We used portions of this grant to bring Prof. Gonzalez-Alfonso to Cambridge for an intensive working visit. A second major paper on the ISO IR spectroscopy of galaxies, "The Far Infrared Spectrum of Arp 220," Gonzalez-Alfonso, E., Smith. H., Fischer, J., and Cernicharo, J., is in press. Spitzer science development was the major component of this past year;s research. This program supported the development of five Early Release Objects for Spitzer observations on which Dr. Smith was Principal Investigator or Co-Investigator, and another five proposals for GO time. The early release program is designed to rapidly present to the public and the scientific community some exciting results from Spitzer in the first months of its operation. The Spitzer instrument and science teams submitted proposals for ERO objects, and a competitive selection process narrowed these down to a small group with exciting science and realistic observational parameters. This grant supported Dr. Smith's participation in the ERO process, including developing science goals, identifying key objects for observation, and developing the detailed AOR (observing formulae) to be use by the instruments for mapping, integrating, etc.). During this year Dr. Smith worked on writing up and publishing these early results. The attached bibliography includes six of Dr. Smith's articles. During this past year Dr. Smith also led or

  14. Well sealing via thermite reactions

    DOEpatents

    Lowry, William Edward; Dunn, Sandra Dalvit

    2016-11-15

    A platform is formed in a well below a target plug zone by lowering a thermite reaction charge into the well and igniting it, whereby the products of the reaction are allowed to cool and expand to form a platform or support in the well. A main thermite reaction charge is placed above the platform and ignited to form a main sealing plug for the well. In some embodiments an upper plug is formed by igniting an upper thermite reaction charge above the main thermite reaction charge. The upper plug confines the products of ignition of the main thermite reaction charge.

  15. 76 FR 25408 - Unblocking of Specially Designated Nationals and Blocked Persons Pursuant to Executive Order 12978

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-04

    ... property and interests in property were blocked pursuant to the Order: AVILA GONZALEZ, Humberto, c/o...) [SDNT] MILLAN BONILLA, German, c/o CONSTRUVIDA S.A., Cali, Colombia; DOB 1 Feb 1952; Cedula No. 14995885...

  16. The Electronic Flux in Chemical Reactions. Insights on the Mechanism of the Maillard Reaction

    NASA Astrophysics Data System (ADS)

    Flores, Patricio; Gutiérrez-Oliva, Soledad; Herrera, Bárbara; Silva, Eduardo; Toro-Labbé, Alejandro

    2007-11-01

    The electronic transfer that occurs during a chemical process is analysed in term of a new concept, the electronic flux, that allows characterizing the regions along the reaction coordinate where electron transfer is actually taking place. The electron flux is quantified through the variation of the electronic chemical potential with respect to the reaction coordinate and is used, together with the reaction force, to shed light on reaction mechanism of the Schiff base formation in the Maillard reaction. By partitioning the reaction coordinate in regions in which different process might be taking place, electronic reordering associated to polarization and transfer has been identified and found to be localized at specific transition state regions where most bond forming and breaking occur.

  17. Identifying Understudied Nuclear Reactions by Text-mining the EXFOR Experimental Nuclear Reaction Library

    NASA Astrophysics Data System (ADS)

    Hirdt, J. A.; Brown, D. A.

    2016-01-01

    The EXFOR library contains the largest collection of experimental nuclear reaction data available as well as the data's bibliographic information and experimental details. We text-mined the REACTION and MONITOR fields of the ENTRYs in the EXFOR library in order to identify understudied reactions and quantities. Using the results of the text-mining, we created an undirected graph from the EXFOR datasets with each graph node representing a single reaction and quantity and graph links representing the various types of connections between these reactions and quantities. This graph is an abstract representation of the connections in EXFOR, similar to graphs of social networks, authorship networks, etc. We use various graph theoretical tools to identify important yet understudied reactions and quantities in EXFOR. Although we identified a few cross sections relevant for shielding applications and isotope production, mostly we identified charged particle fluence monitor cross sections. As a side effect of this work, we learn that our abstract graph is typical of other real-world graphs.

  18. Substrate-Directed Catalytic Selective Chemical Reactions.

    PubMed

    Sawano, Takahiro; Yamamoto, Hisashi

    2018-05-04

    The development of highly efficient reactions at only the desired position is one of the most important subjects in organic chemistry. Most of the reactions in current organic chemistry are reagent- or catalyst-controlled reactions, and the regio- and stereoselectivity of the reactions are determined by the inherent nature of the reagent or catalyst. In sharp contrast, substrate-directed reaction determines the selectivity of the reactions by the functional group on the substrate and can strictly distinguish sterically and electronically similar multiple reaction sites in the substrate. In this Perspective, three topics of substrate-directed reaction are mainly reviewed: (1) directing group-assisted epoxidation of alkenes, (2) ring-opening reactions of epoxides by various nucleophiles, and (3) catalytic peptide synthesis. Our newly developed synthetic methods with new ligands including hydroxamic acid derived ligands realized not only highly efficient reactions but also pinpointed reactions at the expected position, demonstrating the substrate-directed reaction as a powerful method to achieve the desired regio- and stereoselective functionalization of molecules from different viewpoints of reagent- or catalyst-controlled reactions.

  19. Microfabricated sleeve devices for chemical reactions

    DOEpatents

    Northrup, M. Allen

    2003-01-01

    A silicon-based sleeve type chemical reaction chamber that combines heaters, such as doped polysilicon for heating, and bulk silicon for convection cooling. The reaction chamber combines a critical ratio of silicon and non-silicon based materials to provide the thermal properties desired. For example, the chamber may combine a critical ratio of silicon and silicon nitride to the volume of material to be heated (e.g., a liquid) in order to provide uniform heating, yet low power requirements. The reaction chamber will also allow the introduction of a secondary tube (e.g., plastic) into the reaction sleeve that contains the reaction mixture thereby alleviating any potential materials incompatibility issues. The reaction chamber may be utilized in any chemical reaction system for synthesis or processing of organic, inorganic, or biochemical reactions, such as the polymerase chain reaction (PCR) and/or other DNA reactions, such as the ligase chain reaction, which are examples of a synthetic, thermal-cycling-based reaction. The reaction chamber may also be used in synthesis instruments, particularly those for DNA amplification and synthesis.

  20. Inorganic Reaction Mechanisms. Part I

    ERIC Educational Resources Information Center

    Cooke, D. O.

    1976-01-01

    Provides a collection of data on the mechanistic aspects of inorganic chemical reactions. Wherever possible includes procedures for classroom demonstration or student project work. The material covered includes gas phase reactions, reactions in solution, mechanisms of electron transfer, the reaction between iron III and iodine, and hydrolysis. (GS)

  1. What Is a Reaction Rate?

    ERIC Educational Resources Information Center

    Schmitz, Guy

    2005-01-01

    The definition of reaction rate is derived and demonstrations are made for the care to be taken while using the term. Reaction rate can be in terms of a reaction property, the extent of reaction and thus it is possible to give a definition applicable in open and closed systems.

  2. Efficient Green's Function Reaction Dynamics (GFRD) simulations for diffusion-limited, reversible reactions

    NASA Astrophysics Data System (ADS)

    Bashardanesh, Zahedeh; Lötstedt, Per

    2018-03-01

    In diffusion controlled reversible bimolecular reactions in three dimensions, a dissociation step is typically followed by multiple, rapid re-association steps slowing down the simulations of such systems. In order to improve the efficiency, we first derive an exact Green's function describing the rate at which an isolated pair of particles undergoing reversible bimolecular reactions and unimolecular decay separates beyond an arbitrarily chosen distance. Then the Green's function is used in an algorithm for particle-based stochastic reaction-diffusion simulations for prediction of the dynamics of biochemical networks. The accuracy and efficiency of the algorithm are evaluated using a reversible reaction and a push-pull chemical network. The computational work is independent of the rates of the re-associations.

  3. Dynamic Reaction Figures: An Integrative Vehicle for Understanding Chemical Reactions

    ERIC Educational Resources Information Center

    Schultz, Emeric

    2008-01-01

    A highly flexible learning tool, referred to as a dynamic reaction figure, is described. Application of these figures can (i) yield the correct chemical equation by simply following a set of menu driven directions; (ii) present the underlying "mechanism" in chemical reactions; and (iii) help to solve quantitative problems in a number of different…

  4. A Green Multicomponent Reaction for the Organic Chemistry Laboratory: The Aqueous Passerini Reaction

    ERIC Educational Resources Information Center

    Hooper, Matthew M.; DeBoef, Brenton

    2009-01-01

    Water is the ideal green solvent for organic reactions. However, most organic molecules are insoluble in it. Herein, we report a laboratory module that takes advantage of this property. The Passerini reaction, a three-component coupling involving an isocyanide, aldehyde, and carboxylic acid, typically requires [similar to] 24 h reaction times in…

  5. Leucovorin-induced hypersensitivity reaction.

    PubMed

    Damaske, Avni; Ma, Nichole; Williams, Reba

    2012-03-01

    Leucovorin is a reduced form of folic acid, which has multiple uses.(1) In this case report, it is used in combination with fluorouracil in the treatment of colon cancer. We describe a 53-year-old male, who was started on FOLFOX 6 + bevacizumab who experienced a hypersensitivity reaction to leucovorin. There have been very few cases of leucovorin hypersensitivity reactions reported in the literature. In this case, symptoms include flushing, hives, body pain, headaches, elevated blood pressures, and general discomfort. Although leucovorin reactions are considered rare, one should be aware of the types of reactions that can occur with leucovorin.

  6. NEUTRONIC REACTION SYSTEM

    DOEpatents

    Wigner, E.P.

    1963-09-01

    A nuclear reactor system is described for breeding fissionable material, including a heat-exchange tank, a high- and a low-pressure chamber therein, heat- exchange tubes connecting these chambers, a solution of U/sup 233/ in heavy water in a reaction container within the tank, a slurry of thorium dioxide in heavy water in a second container surrounding the first container, an inlet conduit including a pump connecting the low pressure chamber to the reaction container, an outlet conduit connecting the high pressure chamber to the reaction container, and means of removing gaseous fission products released in both chambers. (AEC)

  7. Antibody-mediated cofactor-driven reactions

    DOEpatents

    Schultz, Peter G.

    1993-01-01

    Chemical reactions capable of being rate-enhanced by auxiliary species which interact with the reactants but do not become chemically bound to them in the formation of the final product are performed in the presence of antibodies which promote the reactions. The antibodies contain regions within their antigen binding sites which recognize the auxiliary species in a conformation which promotes the reaction. The antigen binding site frequently recognizes a particular transition state complex or other high energy complex along the reaction coordinate, thereby promoting the progress of the reaction along the desired route as opposed to other less favorable routes. Various classes of reaction together with appropriate antigen binding site specificities tailored for each are disclosed.

  8. Identifying Understudied Nuclear Reactions by Text-mining the EXFOR Experimental Nuclear Reaction Library

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

    Hirdt, J.A.; Brown, D.A., E-mail: dbrown@bnl.gov

    The EXFOR library contains the largest collection of experimental nuclear reaction data available as well as the data's bibliographic information and experimental details. We text-mined the REACTION and MONITOR fields of the ENTRYs in the EXFOR library in order to identify understudied reactions and quantities. Using the results of the text-mining, we created an undirected graph from the EXFOR datasets with each graph node representing a single reaction and quantity and graph links representing the various types of connections between these reactions and quantities. This graph is an abstract representation of the connections in EXFOR, similar to graphs of socialmore » networks, authorship networks, etc. We use various graph theoretical tools to identify important yet understudied reactions and quantities in EXFOR. Although we identified a few cross sections relevant for shielding applications and isotope production, mostly we identified charged particle fluence monitor cross sections. As a side effect of this work, we learn that our abstract graph is typical of other real-world graphs.« less

  9. Differences between Drug-Induced and Contrast Media-Induced Adverse Reactions Based on Spontaneously Reported Adverse Drug Reactions.

    PubMed

    Ryu, JiHyeon; Lee, HeeYoung; Suh, JinUk; Yang, MyungSuk; Kang, WonKu; Kim, EunYoung

    2015-01-01

    We analyzed differences between spontaneously reported drug-induced (not including contrast media) and contrast media-induced adverse reactions. Adverse drug reactions reported by an in-hospital pharmacovigilance center (St. Mary's teaching hospital, Daejeon, Korea) from 2010-2012 were classified as drug-induced or contrast media-induced. Clinical patterns, frequency, causality, severity, Schumock and Thornton's preventability, and type A/B reactions were recorded. The trends among causality tools measuring drug and contrast-induced adverse reactions were analyzed. Of 1,335 reports, 636 drug-induced and contrast media-induced adverse reactions were identified. The prevalence of spontaneously reported adverse drug reaction-related admissions revealed a suspected adverse drug reaction-reporting rate of 20.9/100,000 (inpatient, 0.021%) and 3.9/100,000 (outpatients, 0.004%). The most common adverse drug reaction-associated drug classes included nervous system agents and anti-infectives. Dermatological and gastrointestinal adverse drug reactions were most frequently and similarly reported between drug and contrast media-induced adverse reactions. Compared to contrast media-induced adverse reactions, drug-induced adverse reactions were milder, more likely to be preventable (9.8% vs. 1.1%, p < 0.001), and more likely to be type A reactions (73.5% vs. 18.8%, p < 0.001). Females were over-represented among drug-induced adverse reactions (68.1%, p < 0.001) but not among contrast media-induced adverse reactions (56.6%, p = 0.066). Causality patterns differed between the two adverse reaction classes. The World Health Organization-Uppsala Monitoring Centre causality evaluation and Naranjo algorithm results significantly differed from those of the Korean algorithm version II (p < 0.001). We found differences in sex, preventability, severity, and type A/B reactions between spontaneously reported drug and contrast media-induced adverse reactions. The World Health Organization

  10. Differences between Drug-Induced and Contrast Media-Induced Adverse Reactions Based on Spontaneously Reported Adverse Drug Reactions

    PubMed Central

    Suh, JinUk; Yang, MyungSuk; Kang, WonKu; Kim, EunYoung

    2015-01-01

    Objective We analyzed differences between spontaneously reported drug-induced (not including contrast media) and contrast media-induced adverse reactions. Methods Adverse drug reactions reported by an in-hospital pharmacovigilance center (St. Mary’s teaching hospital, Daejeon, Korea) from 2010–2012 were classified as drug-induced or contrast media-induced. Clinical patterns, frequency, causality, severity, Schumock and Thornton’s preventability, and type A/B reactions were recorded. The trends among causality tools measuring drug and contrast-induced adverse reactions were analyzed. Results Of 1,335 reports, 636 drug-induced and contrast media-induced adverse reactions were identified. The prevalence of spontaneously reported adverse drug reaction-related admissions revealed a suspected adverse drug reaction-reporting rate of 20.9/100,000 (inpatient, 0.021%) and 3.9/100,000 (outpatients, 0.004%). The most common adverse drug reaction-associated drug classes included nervous system agents and anti-infectives. Dermatological and gastrointestinal adverse drug reactions were most frequently and similarly reported between drug and contrast media-induced adverse reactions. Compared to contrast media-induced adverse reactions, drug-induced adverse reactions were milder, more likely to be preventable (9.8% vs. 1.1%, p < 0.001), and more likely to be type A reactions (73.5% vs. 18.8%, p < 0.001). Females were over-represented among drug-induced adverse reactions (68.1%, p < 0.001) but not among contrast media-induced adverse reactions (56.6%, p = 0.066). Causality patterns differed between the two adverse reaction classes. The World Health Organization–Uppsala Monitoring Centre causality evaluation and Naranjo algorithm results significantly differed from those of the Korean algorithm version II (p < 0.001). Conclusions We found differences in sex, preventability, severity, and type A/B reactions between spontaneously reported drug and contrast media-induced adverse

  11. Effect of Reaction Developing Training on Audio-Visual Feet Reaction Time in Wrestlers

    ERIC Educational Resources Information Center

    Kaya, Mustafa

    2016-01-01

    Reaction time is one of the most determinative elements for a successful sports performance. The purpose of this study was to investigate the effect of 12-week feet reaction developing trainings upon feet reaction time of females at 11-13 age interval. Volunteer sportsmen between 11 and 13 age interval who were active in Tokat Provincial…

  12. Untoward penicillin reactions

    PubMed Central

    Guthe, T.; Idsöe, O.; Willcox, R. R.

    1958-01-01

    The literature on untoward reactions following the administration of penicillin is reviewed. These reactions, including a certain number of deaths which have been reported, are of particular interest to health administrations and to WHO in view of the large-scale programmes for controlling the treponematoses which are now under way—programmes affecting millions of people in many parts of the world. The most serious problems are anaphylactic sensitivity phenomena and superinfection or cross-infection with penicillin-resistant organisms, and the reactions involved range in intensity from the mildest to the fatal; the incidence of the latter is estimated at 0.1-0.3 per million injections. The authors point out that with increasing use of penicillin, more persons are likely to become sensitized and the number of reactions can therefore be expected to rise. The best prevention against such an increase is the restriction of the unnecessary use of penicillin. PMID:13596877

  13. Hypersensitivity reactions to etoposide.

    PubMed

    Hoetelmans, R M; Schornagel, J H; ten Bokkel Huinink, W W; Beijnen, J H

    1996-04-01

    To report a hypersensitivity reaction to etoposide occurring in a patient after 2 months of drug therapy. A 20-year-old man with a diagnosis of testicular carcinoma was treated with bleomycin, etoposide, and cisplatin (BEP regimen). After dose 20 of etoposide, an exanthema was noted, which was attributed to etoposide. The patient had received 19 doses of etoposide during the previous 2 months without any sign of an allergic reaction. Rechallenging the patient with etoposide from another batch resulted in recurrence of the exanthema. Both etoposide and its excipient (polysorbate 80) are suspected of causing hypersensitivity reactions. Although the exact mechanism of the hypersensitivity reaction is not known, it is believed to be of nonimmunogenic origin. With a lower rate of infusion of etoposide and/or by premedication with antihistamines and/or corticosteroids, hypersensitivity reactions to etoposide might be prevented in patients with a history of hypersensitivity to this drug.

  14. A Transition in the Cumulative Reaction Rate of Two Species Diffusion with Bimolecular Reaction

    NASA Astrophysics Data System (ADS)

    Rajaram, Harihar; Arshadi, Masoud

    2015-04-01

    Diffusion and bimolecular reaction between two initially separated reacting species is a prototypical small-scale description of reaction induced by transverse mixing. It is also relevant to diffusion controlled transport regimes as encountered in low-permeability matrix blocks in fractured media. In previous work, the reaction-diffusion problem has been analyzed as a Stefan problem involving a distinct moving boundary (reaction front), which predicts that front motion scales as √t, and the cumulative reaction rate scales as 1/√t-. We present a general non-dimensionalization of the problem and a perturbation analysis to show that there is an early time regime where the cumulative reaction rate scales as √t- rather than 1/√t. The duration of this early time regime (where the cumulative rate is kinetically rather than diffusion controlled) depends on the rate parameter, in a manner that is consistently predicted by our non-dimensionalization. We also present results on the scaling of the reaction front width. We present numerical simulations in homogeneous and heterogeneous porous media to demonstrate the limited influence of heterogeneity on the behavior of the reaction-diffusion system. We illustrate applications to the practical problem of in-situ chemical oxidation of TCE and PCE by permanganate, which is employed to remediate contaminated sites where the DNAPLs are largely dissolved in the rock matrix.

  15. 76 FR 63117 - Carlos Gonzalez, M.D., Decision and Order

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-11

    ... transcripts and audio recording corroborate the TFO's testimony does not cure the fundamental flaws with the.... The OSC/ISO also alleges that ``a nurse practitioner who was represented as being a doctor'' examined UC1 cursorily in the Respondent's stead, despite UC1's admission to the nurse practitioner that he had...

  16. HOMOGENEOUS CATALYTIC OXIDATION OF HYDROCARBONS IN ALTERNATIVE SOLVENTS

    EPA Science Inventory

    Homogeneous Catalytic Oxidations of Hydrocarbons in Alternative Solvent Systems

    Michael A. Gonzalez* and Thomas M. Becker, Sustainable Technology Division, Office of Research and Development; United States Environmental Protection Agency, 26 West Martin Luther King Drive, ...

  17. Wang-Landau Reaction Ensemble Method: Simulation of Weak Polyelectrolytes and General Acid-Base Reactions.

    PubMed

    Landsgesell, Jonas; Holm, Christian; Smiatek, Jens

    2017-02-14

    We present a novel method for the study of weak polyelectrolytes and general acid-base reactions in molecular dynamics and Monte Carlo simulations. The approach combines the advantages of the reaction ensemble and the Wang-Landau sampling method. Deprotonation and protonation reactions are simulated explicitly with the help of the reaction ensemble method, while the accurate sampling of the corresponding phase space is achieved by the Wang-Landau approach. The combination of both techniques provides a sufficient statistical accuracy such that meaningful estimates for the density of states and the partition sum can be obtained. With regard to these estimates, several thermodynamic observables like the heat capacity or reaction free energies can be calculated. We demonstrate that the computation times for the calculation of titration curves with a high statistical accuracy can be significantly decreased when compared to the original reaction ensemble method. The applicability of our approach is validated by the study of weak polyelectrolytes and their thermodynamic properties.

  18. Metallic Induction Reaction Engine.

    DTIC Science & Technology

    1984-12-28

    FODA CLAIJ TY Figure 2: Experimental Setup 2 A EML Research Metallic Induction Reaction Engine page 3 Figure 3: Aluminum Reaction Mass Ring in Flight...reaction mass materials. Furthur analysis performed with the *] numerical model indicates that there exists a back EMF saturation effect which inhibits the...instrumentation difficulties, a detailed analysis of it’s performance has not been established. r Outer Coil Projectile- Coil Inner Coil Figure 4

  19. SSER: Species specific essential reactions database.

    PubMed

    Labena, Abraham A; Ye, Yuan-Nong; Dong, Chuan; Zhang, Fa-Z; Guo, Feng-Biao

    2017-04-19

    Essential reactions are vital components of cellular networks. They are the foundations of synthetic biology and are potential candidate targets for antimetabolic drug design. Especially if a single reaction is catalyzed by multiple enzymes, then inhibiting the reaction would be a better option than targeting the enzymes or the corresponding enzyme-encoding gene. The existing databases such as BRENDA, BiGG, KEGG, Bio-models, Biosilico, and many others offer useful and comprehensive information on biochemical reactions. But none of these databases especially focus on essential reactions. Therefore, building a centralized repository for this class of reactions would be of great value. Here, we present a species-specific essential reactions database (SSER). The current version comprises essential biochemical and transport reactions of twenty-six organisms which are identified via flux balance analysis (FBA) combined with manual curation on experimentally validated metabolic network models. Quantitative data on the number of essential reactions, number of the essential reactions associated with their respective enzyme-encoding genes and shared essential reactions across organisms are the main contents of the database. SSER would be a prime source to obtain essential reactions data and related gene and metabolite information and it can significantly facilitate the metabolic network models reconstruction and analysis, and drug target discovery studies. Users can browse, search, compare and download the essential reactions of organisms of their interest through the website http://cefg.uestc.edu.cn/sser .

  20. Incorporating reaction-rate dependence in reaction-front models of wellbore-cement/carbonated-brine systems

    DOE PAGES

    Iyer, Jaisree; Walsh, Stuart D. C.; Hao, Yue; ...

    2017-03-08

    Contact between wellbore cement and carbonated brine produces reaction zones that alter the cement's chemical composition and its mechanical properties. The reaction zones have profound implications on the ability of wellbore cement to serve as a seal to prevent the flow of carbonated brine. Under certain circumstances, the reactions may cause resealing of leakage pathways within the cement or at cement-interfaces; either due to fracture closure in response to mechanical weakening or due to the precipitation of calcium carbonate within the fracture. In prior work, we showed how mechanical sealing can be simulated using a diffusion-controlled reaction-front model that linksmore » the growth of the cement reaction zones to the mechanical response of the fracture. Here, we describe how such models may be extended to account for the effects of the calcite reaction-rate. We discuss how the relative rates of reaction and diffusion within the cement affect the precipitation of calcium carbonate within narrow leakage pathways, and how such behavior relates to the formation of characteristic reaction modes in the direction of flow. In addition, we compare the relative impact of precipitation and mechanical deformation on fracture sealing for a range of flow conditions and fracture apertures. Here, we conclude by considering how the prior leaching of calcium from cement may influence the sealing behavior of fractures, and the implication of prior leaching on the ability of laboratory tests to predict long-term sealing.« less

  1. Incorporating reaction-rate dependence in reaction-front models of wellbore-cement/carbonated-brine systems

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

    Iyer, Jaisree; Walsh, Stuart D. C.; Hao, Yue

    Contact between wellbore cement and carbonated brine produces reaction zones that alter the cement's chemical composition and its mechanical properties. The reaction zones have profound implications on the ability of wellbore cement to serve as a seal to prevent the flow of carbonated brine. Under certain circumstances, the reactions may cause resealing of leakage pathways within the cement or at cement-interfaces; either due to fracture closure in response to mechanical weakening or due to the precipitation of calcium carbonate within the fracture. In prior work, we showed how mechanical sealing can be simulated using a diffusion-controlled reaction-front model that linksmore » the growth of the cement reaction zones to the mechanical response of the fracture. Here, we describe how such models may be extended to account for the effects of the calcite reaction-rate. We discuss how the relative rates of reaction and diffusion within the cement affect the precipitation of calcium carbonate within narrow leakage pathways, and how such behavior relates to the formation of characteristic reaction modes in the direction of flow. In addition, we compare the relative impact of precipitation and mechanical deformation on fracture sealing for a range of flow conditions and fracture apertures. Here, we conclude by considering how the prior leaching of calcium from cement may influence the sealing behavior of fractures, and the implication of prior leaching on the ability of laboratory tests to predict long-term sealing.« less

  2. Metal-free bioconjugation reactions.

    PubMed

    van Berkel, Sander S; van Delft, Floris L

    2013-01-01

    The recent strategy to apply chemical reactions to address fundamental biological questions has led to the emergence of entirely new conjugation reactions that are fast and irreversible, yet so mild and selective that they can be performed even in living cells or organisms. These so-called bioorthogonal reactions open novel avenues, not only in chemical biology research, but also in many other life sciences applications, including the modulation of biopharmaceuticals by site-specific modification approaches.

  3. HOMOGENEOUS CATALYSTS FOR THE PARTIAL-OXYGENATION OF SATURATED HYDROCARBONS WITH HYDROGEN PERIOXIDE

    EPA Science Inventory

    A Methodology for the Evaluation of Process Sustainability
    Michael Gonzalez*, Raymond Smith and Thomas Becker

    United States Environmental Protection Agency; Office of Research and Development; Sustainable Technologies Division; 26 West Martin Luther King Drive; Cincinna...

  4. Organocatalytic C–H activation reactions

    PubMed Central

    2012-01-01

    Summary Organocatalytic C–H activation reactions have recently been developed besides the traditional metal-catalysed C–H activation reactions. The recent non-asymmetric and asymmetric C–H activation reactions mediated by organocatalysts are discussed in this review. PMID:23019474

  5. Resonances in the cumulative reaction probability for a model electronically nonadiabatic reaction

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

    Qi, J.; Bowman, J.M.

    1996-05-01

    The cumulative reaction probability, flux{endash}flux correlation function, and rate constant are calculated for a model, two-state, electronically nonadiabatic reaction, given by Shin and Light [S. Shin and J. C. Light, J. Chem. Phys. {bold 101}, 2836 (1994)]. We apply straightforward generalizations of the flux matrix/absorbing boundary condition approach of Miller and co-workers to obtain these quantities. The upper adiabatic electronic potential supports bound states, and these manifest themselves as {open_quote}{open_quote}recrossing{close_quote}{close_quote} resonances in the cumulative reaction probability, at total energies above the barrier to reaction on the lower adiabatic potential. At energies below the barrier, the cumulative reaction probability for themore » coupled system is shifted to higher energies relative to the one obtained for the ground state potential. This is due to the effect of an additional effective barrier caused by the nuclear kinetic operator acting on the ground state, adiabatic electronic wave function, as discussed earlier by Shin and Light. Calculations are reported for five sets of electronically nonadiabatic coupling parameters. {copyright} {ital 1996 American Institute of Physics.}« less

  6. Reaction-Map of Organic Chemistry

    ERIC Educational Resources Information Center

    Murov, Steven

    2007-01-01

    The Reaction-Map of Organic Chemistry lists all the most commonly studied reactions in organic chemistry on one page. The discussed Reaction-Map will act as another learning aide for the students, making the study of organic chemistry much easier.

  7. Insight into association reactions on metal surfaces: Density-functional theory studies of hydrogenation reactions on Rh(111)

    NASA Astrophysics Data System (ADS)

    Liu, Zhi-Pan; Hu, P.; Lee, Ming-Hsien

    2003-09-01

    Hydrogenation reaction, as one of the simplest association reactions on surfaces, is of great importance both scientifically and technologically. They are essential steps in many industrial processes in heterogeneous catalysis, such as ammonia synthesis (N2+3H2→2NH3). Many issues in hydrogenation reactions remain largely elusive. In this work, the NHx (x=0,1,2) hydrogenation reactions (N+H→NH, NH+H→NH2 and NH2+H→NH3) on Rh(111) are used as a model system to study the hydrogenation reactions on metal surfaces in general using density-functional theory. In addition, C and O hydrogenation (C+H→CH and O+H→OH) and several oxygenation reactions, i.e., C+O, N+O, O+O reactions, are also calculated in order to provide a further understanding of the barrier of association reactions. The reaction pathways and the barriers of all these reactions are determined and reported. For the C, N, NH, and O hydrogenation reactions, it is found that there is a linear relationship between the barrier and the valency of R (R=C, N, NH, and O). Detailed analyses are carried out to rationalize the barriers of the reactions, which shows that: (i) The interaction energy between two reactants in the transition state plays an important role in determining the trend in the barriers; (ii) there are two major components in the interaction energy: The bonding competition and the direct Pauli repulsion; and (iii) the Pauli repulsion effect is responsible for the linear valency-barrier trend in the C, N, NH, and O hydrogenation reactions. For the NH2+H reaction, which is different from other hydrogenation reactions studied, the energy cost of the NH2 activation from the IS to the TS is the main part of the barrier. The potential energy surface of the NH2 on metal surfaces is thus crucial to the barrier of NH2+H reaction. Three important factors that can affect the barrier of association reactions are generalized: (i) The bonding competition effect; (ii) the local charge densities of the

  8. Hypersensitivity reactions in patients receiving hemodialysis.

    PubMed

    Butani, Lavjay; Calogiuri, Gianfranco

    2017-06-01

    To describe hypersensitivity reactions in patients receiving maintenance hemodialysis. PubMed search of articles published during the past 30 years with an emphasis on publications in the past decade. Case reports and review articles describing hypersensitivity reactions in the context of hemodialysis. Pharmacologic agents are the most common identifiable cause of hypersensitivity reactions in patients receiving hemodialysis. These include iron, erythropoietin, and heparin, which can cause anaphylactic or pseudoallergic reactions, and topical antibiotics and anesthetics, which lead to delayed-type hypersensitivity reactions. Many hypersensitivity reactions are triggered by complement activation and increased bradykinin resulting from contact system activation, especially in the context of angiotensin-converting enzyme inhibitor use. Several alternative pharmacologic preparations and dialyzer membranes are available, such that once an etiology for the reaction is established, recurrences can be prevented without affecting the quality of care provided to patients. Although hypersensitivity reactions are uncommon in patients receiving hemodialysis, they can be life-threatening. Moreover, considering the large prevalence of the end-stage renal disease population, the implications of such reactions are enormous. Most reactions are pseudoallergic and not mediated by immunoglobulin E. The multiplicity of potential exposures and the complexity of the environment to which patients on dialysis are exposed make it challenging to identify the precise cause of these reactions. Great diligence is needed to investigate hypersensitivity reactions to avoid recurrence in this high-risk population. Copyright © 2017 American College of Allergy, Asthma & Immunology. Published by Elsevier Inc. All rights reserved.

  9. Silicon-based sleeve devices for chemical reactions

    DOEpatents

    Northrup, M. Allen; Mariella, Jr., Raymond P.; Carrano, Anthony V.; Balch, Joseph W.

    1996-01-01

    A silicon-based sleeve type chemical reaction chamber that combines heaters, such as doped polysilicon for heating, and bulk silicon for convection cooling. The reaction chamber combines a critical ratio of silicon and silicon nitride to the volume of material to be heated (e.g., a liquid) in order to provide uniform heating, yet low power requirements. The reaction chamber will also allow the introduction of a secondary tube (e.g., plastic) into the reaction sleeve that contains the reaction mixture thereby alleviating any potential materials incompatibility issues. The reaction chamber may be utilized in any chemical reaction system for synthesis or processing of organic, inorganic, or biochemical reactions, such as the polymerase chain reaction (PCR) and/or other DNA reactions, such as the ligase chain reaction, which are examples of a synthetic, thermal-cycling-based reaction. The reaction chamber may also be used in synthesis instruments, particularly those for DNA amplification and synthesis.

  10. Silicon-based sleeve devices for chemical reactions

    DOEpatents

    Northrup, M.A.; Mariella, R.P. Jr.; Carrano, A.V.; Balch, J.W.

    1996-12-31

    A silicon-based sleeve type chemical reaction chamber is described that combines heaters, such as doped polysilicon for heating, and bulk silicon for convection cooling. The reaction chamber combines a critical ratio of silicon and silicon nitride to the volume of material to be heated (e.g., a liquid) in order to provide uniform heating, yet low power requirements. The reaction chamber will also allow the introduction of a secondary tube (e.g., plastic) into the reaction sleeve that contains the reaction mixture thereby alleviating any potential materials incompatibility issues. The reaction chamber may be utilized in any chemical reaction system for synthesis or processing of organic, inorganic, or biochemical reactions, such as the polymerase chain reaction (PCR) and/or other DNA reactions, such as the ligase chain reaction, which are examples of a synthetic, thermal-cycling-based reaction. The reaction chamber may also be used in synthesis instruments, particularly those for DNA amplification and synthesis. 32 figs.

  11. Characterising Complex Enzyme Reaction Data

    PubMed Central

    Rahman, Syed Asad; Thornton, Janet M.

    2016-01-01

    The relationship between enzyme-catalysed reactions and the Enzyme Commission (EC) number, the widely accepted classification scheme used to characterise enzyme activity, is complex and with the rapid increase in our knowledge of the reactions catalysed by enzymes needs revisiting. We present a manual and computational analysis to investigate this complexity and found that almost one-third of all known EC numbers are linked to more than one reaction in the secondary reaction databases (e.g., KEGG). Although this complexity is often resolved by defining generic, alternative and partial reactions, we have also found individual EC numbers with more than one reaction catalysing different types of bond changes. This analysis adds a new dimension to our understanding of enzyme function and might be useful for the accurate annotation of the function of enzymes and to study the changes in enzyme function during evolution. PMID:26840640

  12. Microfluidic chemical reaction circuits

    DOEpatents

    Lee, Chung-cheng [Irvine, CA; Sui, Guodong [Los Angeles, CA; Elizarov, Arkadij [Valley Village, CA; Kolb, Hartmuth C [Playa del Rey, CA; Huang, Jiang [San Jose, CA; Heath, James R [South Pasadena, CA; Phelps, Michael E [Los Angeles, CA; Quake, Stephen R [Stanford, CA; Tseng, Hsian-rong [Los Angeles, CA; Wyatt, Paul [Tipperary, IE; Daridon, Antoine [Mont-Sur-Rolle, CH

    2012-06-26

    New microfluidic devices, useful for carrying out chemical reactions, are provided. The devices are adapted for on-chip solvent exchange, chemical processes requiring multiple chemical reactions, and rapid concentration of reagents.

  13. GREENING OF OXIDATION CATALYSIS THROUGH IMPROVED CATALYST AND PROCESS DESIGN

    EPA Science Inventory


    Greening of Oxidation Catalysis Through Improved Catalysts and Process Design
    Michael A. Gonzalez*, Thomas Becker, and Raymond Smith

    United State Environmental Protection Agency, Office of Research and Development, National Risk Management Research Laboratory, 26 W...

  14. GREEN CATALYZED OXIDATION OF HYDROCARBONS IN ALTERNATIVE SOLVENT SYSTEMS GENERATED BY PARIS II

    EPA Science Inventory

    Green Catalyzed Oxidation of Hydrocarbons in Alternative Solvent Systems Generated by PARIS II

    Michael A. Gonzalez*, Thomas M. Becker, and Paul F. Harten; Sustainable Technology Division, Office of Research and Development; United States Environmental Protection Agency, 26...

  15. Genetics Home Reference: riboflavin transporter deficiency neuronopathy

    MedlinePlus

    ... Epub 2004 Dec 15. Citation on PubMed Foley AR, Menezes MP, Pandraud A, Gonzalez MA, Al-Odaib ... JR, Megarbane A, Urtizberea JA, Hernandez DG, Foley AR, Arepalli S, Pandraud A, Simón-Sánchez J, Clayton P, ...

  16. OXIDATION OF CYCLOHEXANE WITH AIR CATALYZED BY A STERICALLY HINDERED IRON (II) COMPLEX

    EPA Science Inventory

    Oxidation of Cyclohexane with Air Catalyzed by a Sterically Hindered Iron(II) Complex.


    Thomas M. Becker, Michael A. Gonzalez*

    United States Environmental Protection Agency; National Risk Management Research Laboratory; Sustainable Technology Division; Clean Pr...

  17. Mass Transfer with Chemical Reaction.

    ERIC Educational Resources Information Center

    DeCoursey, W. J.

    1987-01-01

    Describes the organization of a graduate course dealing with mass transfer, particularly as it relates to chemical reactions. Discusses the course outline, including mathematics models of mass transfer, enhancement of mass transfer rates by homogeneous chemical reaction, and gas-liquid systems with chemical reaction. (TW)

  18. Traffic-Related Air Pollution, Noise at School, and Behavioral Problems in Barcelona Schoolchildren: A Cross-Sectional Study

    PubMed Central

    Forns, Joan; Dadvand, Payam; Foraster, Maria; Alvarez-Pedrerol, Mar; Rivas, Ioar; López-Vicente, Mònica; Suades-Gonzalez, Elisabet; Garcia-Esteban, Raquel; Esnaola, Mikel; Cirach, Marta; Grellier, James; Basagaña, Xavier; Querol, Xavier; Guxens, Mònica; Nieuwenhuijsen, Mark J.; Sunyer, Jordi

    2015-01-01

    Background: The available evidence of the effects of air pollution and noise on behavioral development is limited, and it overlooks exposure at schools, where children spend a considerable amount of time. Objective: We aimed to investigate the associations of exposure to traffic-related air pollutants (TRAPs) and noise at school on behavioral development of schoolchildren. Methods: We evaluated children 7–11 years of age in Barcelona (Catalonia, Spain) during 2012–2013 within the BREATHE project. Indoor and outdoor concentrations of elemental carbon (EC), black carbon (BC), and nitrogen dioxide (NO2) were measured at schools in two separate 1-week campaigns. In one campaign we also measured noise levels inside classrooms. Parents filled out the strengths and difficulties questionnaire (SDQ) to assess child behavioral development, while teachers completed the attention deficit/hyperactivity disorder criteria of the DSM-IV (ADHD-DSM-IV) list to assess specific ADHD symptomatology. Negative binomial mixed-effects models were used to estimate associations between the exposures and behavioral development scores. Results: Interquartile range (IQR) increases in indoor and outdoor EC, BC, and NO2 concentrations were positively associated with SDQ total difficulties scores (suggesting more frequent behavioral problems) in adjusted multivariate models, whereas noise was significantly associated with ADHD-DSM-IV scores. Conclusion: In our study population of 7- to 11-year-old children residing in Barcelona, exposure to TRAPs at school was associated with increased behavioral problems in schoolchildren. Noise exposure at school was associated with more ADHD symptoms. Citation: Forns J, Dadvand P, Foraster M, Alvarez-Pedrerol M, Rivas I, López-Vicente M, Suades-Gonzalez E, Garcia-Esteban R, Esnaola M, Cirach M, Grellier J, Basagaña X, Querol X, Guxens M, Nieuwenhuijsen MJ, Sunyer J. 2016. Traffic-related air pollution, noise at school, and behavioral problems in Barcelona

  19. Ecological Assessment of Clinicians' Antipsychotic Prescription Habits in Psychiatric Inpatients: A Novel Web- and Mobile Phone-Based Prototype for a Dynamic Clinical Decision Support System.

    PubMed

    Berrouiguet, Sofian; Barrigón, Maria Luisa; Brandt, Sara A; Nitzburg, George C; Ovejero, Santiago; Alvarez-Garcia, Raquel; Carballo, Juan; Walter, Michel; Billot, Romain; Lenca, Philippe; Delgado-Gomez, David; Ropars, Juliette; de la Calle Gonzalez, Ivan; Courtet, Philippe; Baca-García, Enrique

    2017-01-26

    Electronic prescribing devices with clinical decision support systems (CDSSs) hold the potential to significantly improve pharmacological treatment management. The aim of our study was to develop a novel Web- and mobile phone-based application to provide a dynamic CDSS by monitoring and analyzing practitioners' antipsychotic prescription habits and simultaneously linking these data to inpatients' symptom changes. We recruited 353 psychiatric inpatients whose symptom levels and prescribed medications were inputted into the MEmind application. We standardized all medications in the MEmind database using the Anatomical Therapeutic Chemical (ATC) classification system and the defined daily dose (DDD). For each patient, MEmind calculated an average for the daily dose prescribed for antipsychotics (using the N05A ATC code), prescribed daily dose (PDD), and the PDD to DDD ratio. MEmind results found that antipsychotics were used by 61.5% (217/353) of inpatients, with the largest proportion being patients with schizophrenia spectrum disorders (33.4%, 118/353). Of the 217 patients, 137 (63.2%, 137/217) were administered pharmacological monotherapy and 80 (36.8%, 80/217) were administered polytherapy. Antipsychotics were used mostly in schizophrenia spectrum and related psychotic disorders, but they were also prescribed in other nonpsychotic diagnoses. Notably, we observed polypharmacy going against current antipsychotics guidelines. MEmind data indicated that antipsychotic polypharmacy and off-label use in inpatient units is commonly practiced. MEmind holds the potential to create a dynamic CDSS that provides real-time tracking of prescription practices and symptom change. Such feedback can help practitioners determine a maximally therapeutic drug treatment while avoiding unproductive overprescription and off-label use. ©Sofian Berrouiguet, Maria Luisa Barrigón, Sara A Brandt, George C Nitzburg, Santiago Ovejero, Raquel Alvarez-Garcia, Juan Carballo, Michel Walter, Romain

  20. The ozone acetylene reaction: concerted or non-concerted reaction mechanism? A quantum chemical investigation

    NASA Astrophysics Data System (ADS)

    Cremer, Dieter; Kraka, Elfi; Crehuet, Ramon; Anglada, Josep; Gräfenstein, Jürgen

    2001-10-01

    The ozone-acetylene reaction is found to proceed via an intermediate van der Waals complex (rather than a biradical), which is the precursor for a concerted symmetry-allowed [4+2] cycloaddition reaction leading to 1,2,3-trioxolene. CCSD(T)/6-311G+(2d, 2p) and CCSD(T)/CBS (complete basis set) calculations predict the ozone-acetylene van der Waals complex to be stable by 2.2 kcal mol -1, the calculated activation enthalpy for the cycloaddition reaction is 9.6 kcal mol -1 and the reaction enthalpy -55.5 kcal mol -1. Calculated kinetic data for the overall reaction ( k=0.8 l mol -1 s-1, A=1.71×10 6 l mol -1 s-1, E a=8.6 kcal mol -1) suggest that there is a need for refined kinetic measurements.

  1. An Iodine Fluorescence Quenching Clock Reaction

    NASA Astrophysics Data System (ADS)

    Weinberg, Richard B.

    2007-05-01

    A fluorescent clock reaction is described that is based on the principles of the Landolt iodine reaction but uses the potent fluorescence quenching properties of triiodide to abruptly extinguish the ultraviolet fluorescence of optical brighteners present in liquid laundry detergents. The reaction uses easily obtained household products. One variation illustrates the sequential steps and mechanisms of the reaction; other variations maximize the dramatic impact of the demonstration; and a variation that uses liquid detergent in the Briggs Rauscher reaction yields a striking oscillating luminescence. The iodine fluorescence quenching clock reaction can be used in the classroom to explore not only the principles of redox chemistry and reaction kinetics, but also the photophysics of fluorescent pH probes and optical quenching.

  2. Reaction Profiles and Molecular Dynamics Simulations of Cyanide Radical Reactions Relevant to Titan's Atmosphere

    NASA Astrophysics Data System (ADS)

    Trinidad Pérez-Rivera, Danilo; Romani, Paul N.; Lopez-Encarnacion, Juan Manuel

    2016-10-01

    Titan's atmosphere is arguably the atmosphere of greatest interest that we have an abundance of data for from both ground based and spacecraft observations. As we have learned more about Titan's atmospheric composition, the presence of pre-biotic molecules in its atmosphere has generated more and more fascination about the photochemical process and pathways it its atmosphere. Our computational laboratory has been extensively working throughout the past year characterizing nitrile synthesis reactions, making significant progress on the energetics and dynamics of the reactions of .CN with the hydrocarbons acetylene (C2H2), propylene (CH3CCH), and benzene (C6H6), developing a clear picture of the mechanistic aspects through which these three reactions proceed. Specifically, first principles calculations of the reaction profiles and molecular dynamics studies for gas-phase reactions of .CN and C2H2, .CN and CH3CCH, and .CN and C6H6 have been carried out. A very accurate determination of potential energy surfaces of these reactions will allow us to compute the reaction rates which are indispensable for photochemical modeling of Titan's atmosphere.The work at University of Puerto Rico at Cayey was supported by Puerto Rico NASA EPSCoR IDEAS-ER program (2015-2016) and DTPR was sponsored by the Puerto Rico NASA Space Grant Consortium Fellowship. *E-mail: juan.lopez15@upr.edu

  3. Chemical Reactions in Supercritical Carbon Dioxide

    NASA Astrophysics Data System (ADS)

    Wai, Chien M.; Hunt, Fred; Ji, Min; Chen, Xiaoyuan

    1998-12-01

    Utilizing supercritical fluids as environmentally benign solvents for chemical synthesis is one of the new approaches in the "greening" of chemistry. Carbon dioxide is the most widely used gas for supercritical fluid studies because of its moderate critical constants, nontoxic nature, and availability in pure form. One unique property of supercritical carbon dioxide (sc-CO2) is its high solubility for fluorinated compounds. Thus sc-CO2 can be used to replace Freons that are conventionally used as solvents for synthesis of perfluoro-polymers. Another property of sc-CO2 is its miscibility with gases such as H2. Heterogeneous reactions involving these gases may become homogeneous reactions in sc-CO2. Reactions in sc-CO2 may offer several advantages including controlling phase behavior and products, increasing speed of reactions, and obtaining specific reaction channels. This paper describes the following nine types of chemical reactions reported in the literature utilizing sc-CO2 as a solvent to illustrate the unique properties of the supercritical fluid reaction systems: (i) hydrogenation and hydroformylation, (ii) synthesis of organometallic compounds, (iii) metal chelation and extraction, (iv) preparation of inorganic nanoparticles, (v) stereo-selectivity of lipase-catalyzed reactions, (vi) asymmetric catalytic hydrogenation, (vii) polymerization, (viii) Diels-Alder reaction, and (ix) free radical reactions.

  4. The Vitamin C Clock Reaction.

    ERIC Educational Resources Information Center

    Wright, Stephen W.

    2002-01-01

    Describes an iodine clock reaction that produces an effect similar to the Landolt clock reaction. This reaction uses supermarket chemicals and avoids iodate, bisulfite, and mercury compounds. Ascorbic acid and tincture of iodine are the main reactants with alternate procedures provided for vitamin C tablets and orange juice. (DDR)

  5. Radiation reaction in fusion plasmas.

    PubMed

    Hazeltine, R D; Mahajan, S M

    2004-10-01

    The effects of a radiation reaction on thermal electrons in a magnetically confined plasma, with parameters typical of planned burning plasma experiments, are studied. A fully relativistic kinetic equation that includes the radiation reaction is derived. The associated rate of phase-space contraction is computed and the relative importance of the radiation reaction in phase space is estimated. A consideration of the moments of the radiation reaction force show that its effects are typically small in reactor-grade confined plasmas, but not necessarily insignificant.

  6. Experimental Demonstrations in Teaching Chemical Reactions.

    ERIC Educational Resources Information Center

    Hugerat, Muhamad; Basheer, Sobhi

    2001-01-01

    Presents demonstrations of chemical reactions by employing different features of various compounds that can be altered after a chemical change occurs. Experimental activities include para- and dia-magnetism in chemical reactions, aluminum reaction with base, reaction of acid with carbonates, use of electrochemical cells for demonstrating chemical…

  7. 78 FR 67218 - Senior Executive Service; Legal Division Performance Review Board

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-11-08

    ... DEPARTMENT OF THE TREASURY Senior Executive Service; Legal Division Performance Review Board... General Counsel; Peter A. Bieger, Assistant General Counsel (Banking and Finance); George Bostick..., Chief Counsel, Bureau of the Fiscal Service; Roberto J. Gonzalez, Deputy General Counsel; Rochelle F...

  8. HOMOGENEOUS AIR OXIDATION OF HYDROCARBONS UTILIZING MN AND CO CATALYSTS

    EPA Science Inventory

    Homogeneous Air Oxidation of Hydrocarbons Utilizing Mn and Co Catalysts

    Thomas M. Becker and Michael A. Gonzalez*, Sustainable Technology Division, Office of Research and Development; United States Environmental Protection Agency, 26 West Martin Luther King Drive, Mail Sto...

  9. Adverse Drug Reactions Reported by Healthcare Professionals: Reaction Characteristics and Time to Reporting.

    PubMed

    Aung, Ar Kar; Tang, Mei Jie; Adler, Nikki Rae; de Menezes, Sara Lee; Goh, Michelle Sue Yen; Tee, Hui Wen; Trubiano, Jason Anthony; Puy, Robert; Zubrinich, Celia Mary; Graudins, Linda Velta

    2018-05-07

    We describe adverse drug reaction (ADR) reporting characteristics and factors contributing to length of time to report by healthcare professionals. This is a retrospective study of voluntary reports to an Australian healthcare ADR Review Committee over a 2-year period (2015-2016). Descriptive and univariate models were used for outcomes, employing standardized ADR definitions. Hospital pharmacists reported 84.8% of the 555 ADRs: 70.3% were hospital onset reactions, and 71.7% were at least of moderate severity. Immunologically mediated reactions were most commonly reported (409, 73.7%). The median time to submit an ADR report was 3 (interquartile range 1-10) days. Longer median times to reporting were associated with multiple implicated agents and delayed hypersensitivity reactions, especially severe cutaneous adverse reactions. A total of 650 medications were implicated that involved multiple agents in 165/555 (29.7%) reports. Antimicrobials were the most commonly implicated agents. Immunologically mediated reactions were most commonly associated with antimicrobials and radiocontrast agents (P < .0001, odds ratio [OR] 3.6, 95%CI 2.4-5.5, and P = .04, OR 4.2, 95%CI 1.2-18.2, respectively). Opioids and psychoactive medications were more commonly implicated in nonimmunological reported ADRs (P = .0002, OR 3.9, 95%CI 1.9-7.9, and P < .0001, OR 11.4, 95%CI 4.6-27.8, respectively). Due to the predominant reporting of immunologically mediated reactions, a targeted education program is being planned to improve identification and accuracy of ADR reports, with the overall aim of improved management to ensure quality service provision and patient safety. © 2018, The American College of Clinical Pharmacology.

  10. Mapping the Complete Reaction Path of a Complex Photochemical Reaction.

    PubMed

    Smith, Adam D; Warne, Emily M; Bellshaw, Darren; Horke, Daniel A; Tudorovskya, Maria; Springate, Emma; Jones, Alfred J H; Cacho, Cephise; Chapman, Richard T; Kirrander, Adam; Minns, Russell S

    2018-05-04

    We probe the dynamics of dissociating CS_{2} molecules across the entire reaction pathway upon excitation. Photoelectron spectroscopy measurements using laboratory-generated femtosecond extreme ultraviolet pulses monitor the competing dissociation, internal conversion, and intersystem crossing dynamics. Dissociation occurs either in the initially excited singlet manifold or, via intersystem crossing, in the triplet manifold. Both product channels are monitored and show that, despite being more rapid, the singlet dissociation is the minor product and that triplet state products dominate the final yield. We explain this by a consideration of accurate potential energy curves for both the singlet and triplet states. We propose that rapid internal conversion stabilizes the singlet population dynamically, allowing for singlet-triplet relaxation via intersystem crossing and the efficient formation of spin-forbidden dissociation products on longer timescales. The study demonstrates the importance of measuring the full reaction pathway for defining accurate reaction mechanisms.

  11. Mapping the Complete Reaction Path of a Complex Photochemical Reaction

    NASA Astrophysics Data System (ADS)

    Smith, Adam D.; Warne, Emily M.; Bellshaw, Darren; Horke, Daniel A.; Tudorovskya, Maria; Springate, Emma; Jones, Alfred J. H.; Cacho, Cephise; Chapman, Richard T.; Kirrander, Adam; Minns, Russell S.

    2018-05-01

    We probe the dynamics of dissociating CS2 molecules across the entire reaction pathway upon excitation. Photoelectron spectroscopy measurements using laboratory-generated femtosecond extreme ultraviolet pulses monitor the competing dissociation, internal conversion, and intersystem crossing dynamics. Dissociation occurs either in the initially excited singlet manifold or, via intersystem crossing, in the triplet manifold. Both product channels are monitored and show that, despite being more rapid, the singlet dissociation is the minor product and that triplet state products dominate the final yield. We explain this by a consideration of accurate potential energy curves for both the singlet and triplet states. We propose that rapid internal conversion stabilizes the singlet population dynamically, allowing for singlet-triplet relaxation via intersystem crossing and the efficient formation of spin-forbidden dissociation products on longer timescales. The study demonstrates the importance of measuring the full reaction pathway for defining accurate reaction mechanisms.

  12. Correlations between reaction product yields as a tool for probing heavy-ion reaction scenarios

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

    Gawlikowicz, W.; Heavy-Ion Laboratory, Warsaw University, PL-02-093 Warsaw; Agnihotri, D. K.

    2010-01-15

    Experimental multidimensional joint distributions of neutrons and charged reaction products were analyzed for {sup 136}Xe + {sup 209}Bi reactions at E/A=28, 40, and 62 MeV and were found to exhibit several different types of prominent correlation patterns. Some of these correlations have a simple explanation in terms of the system excitation energy and pose little challenge to most statistical decay theories. However, several other types of correlation patterns are difficult to reconcile with some, but not other, possible reaction scenarios. In this respect, correlations between the average atomic numbers of intermediate-mass fragments, on the one hand, and light particle multiplicities,more » on the other, are notable. This kind of multiparticle correlation provides a useful tool for probing reaction scenarios, which is different from the traditional approach of interpreting inclusive yields of individual reaction products.« less

  13. Analysis of reaction products formed in the gas phase reaction of E,E-2,4-hexadienal with atmospheric oxidants: Reaction mechanisms and atmospheric implications

    NASA Astrophysics Data System (ADS)

    Colmenar, I.; Martin, P.; Cabañas, B.; Salgado, S.; Martinez, E.

    2018-03-01

    An analysis of reaction products for the reaction of E,E-2,4-hexadienal with chlorine atoms (Cl) and OH and NO3 radicals has been carried out at the first time with the aim of obtaining a better understanding of the tropospheric reactivity of α,β-unsaturated carbonyl compounds. Fourier Transform Infrared (FTIR) spectroscopy and Gas Chromatography-Mass Spectrometry with a Time of Flight detector (GC-TOFMS) were used to carry out the qualitative and/or quantitative analyses. Reaction products in gas and particulate phase were observed from the reactions of E,E-2,4- hexadienal with all oxidants. E/Z-Butenedial and maleic anhydride were the main products identified in gas phase. E-butenedial calculated molar yield ranging from 4 to 10%. A significant amount of multifunctional compounds (chloro and hydroxy carbonyls) was identified. These compounds could be formed in particulate phase explaining the ∼90% of unaccounted carbon in gas phase. The reaction with Cl atoms in the presence of NOx with a long reaction time gave Peroxy Acetyl Nitrate (PAN) as an additional product, which is known for being an important specie in the generation of the photochemical smog. Nitrated compounds were the major organic products from the reaction with the NO3 radical. Based on the identified products, the reaction mechanisms have been proposed. In these mechanisms a double bond addition of the atmospheric oxidant at C4/C5 of E,E-2,4-hexadienal is the first step for tropospheric degradation.

  14. Thermodynamics of Enzyme-Catalyzed Reactions Database

    National Institute of Standards and Technology Data Gateway

    SRD 74 Thermodynamics of Enzyme-Catalyzed Reactions Database (Web, free access)   The Thermodynamics of Enzyme-Catalyzed Reactions Database contains thermodynamic data on enzyme-catalyzed reactions that have been recently published in the Journal of Physical and Chemical Reference Data (JPCRD). For each reaction the following information is provided: the reference for the data, the reaction studied, the name of the enzyme used and its Enzyme Commission number, the method of measurement, the data and an evaluation thereof.

  15. More on Chemical Reaction Balancing.

    ERIC Educational Resources Information Center

    Swinehart, D. F.

    1985-01-01

    A previous article stated that only the matrix method was powerful enough to balance a particular chemical equation. Shows how this equation can be balanced without using the matrix method. The approach taken involves writing partial mathematical reactions and redox half-reactions, and combining them to yield the final balanced reaction. (JN)

  16. Reactor for exothermic reactions

    DOEpatents

    Smith, Jr., Lawrence A.; Hearn, Dennis; Jones, Jr., Edward M.

    1993-01-01

    A liquid phase process for oligomerization of C.sub.4 and C.sub.5 isoolefins or the etherification thereof with C.sub.1 to C.sub.6 alcohols wherein the reactants are contacted in a reactor with a fixed bed acid cation exchange resin catalyst at an LHSV of 5 to 20, pressure of 0 to 400 psig and temperature of 120.degree. to 300.degree. F. Wherein the improvement is the operation of the reactor at a pressure to maintain the reaction mixture at its boiling point whereby at least a portion but less than all of the reaction mixture is vaporized. By operating at the boiling point and allowing a portion of the reaction mixture to vaporize, the exothermic heat of reaction is dissipated by the formation of more boil up and the temperature in the reactor is controlled.

  17. Reactor for exothermic reactions

    DOEpatents

    Smith, L.A. Jr.; Hearn, D.; Jones, E.M. Jr.

    1993-03-02

    A liquid phase process is described for oligomerization of C[sub 4] and C[sub 5] isoolefins or the etherification thereof with C[sub 1] to C[sub 6] alcohols wherein the reactants are contacted in a reactor with a fixed bed acid cation exchange resin catalyst at an LHSV of 5 to 20, pressure of 0 to 400 psig and temperature of 120 to 300 F. Wherein the improvement is the operation of the reactor at a pressure to maintain the reaction mixture at its boiling point whereby at least a portion but less than all of the reaction mixture is vaporized. By operating at the boiling point and allowing a portion of the reaction mixture to vaporize, the exothermic heat of reaction is dissipated by the formation of more boil up and the temperature in the reactor is controlled.

  18. Ultrasound and polar homogeneous reactions.

    PubMed

    Tuulmets, A

    1997-04-01

    The effect of ultrasound on the rates of homogeneous heterolytic reactions not switched to a free radical pathway can be explained by the perturbation of the molecular organization of or the solvation in the reacting system. A quantitative analysis of the sonochemical acceleration on the basis of the microreactor concept was carried out. It was found that (1) the Diels-Alder reaction cannot be accelerated by ultrasound except when SET or free radical processes are promoted, (2) the rectified diffusion during cavitation cannot be responsible for the acceleration of reactions, and (3) the sonochemical acceleration of polar homogeneous reactions takes place in the bulk reaction medium. This implies the presence of a 'sound-field' sonochemistry besides the 'hot-spot' sonochemistry. The occurrence of a sonochemical deceleration effect can be predicted.

  19. Optimizing Chemical Reactions with Deep Reinforcement Learning.

    PubMed

    Zhou, Zhenpeng; Li, Xiaocheng; Zare, Richard N

    2017-12-27

    Deep reinforcement learning was employed to optimize chemical reactions. Our model iteratively records the results of a chemical reaction and chooses new experimental conditions to improve the reaction outcome. This model outperformed a state-of-the-art blackbox optimization algorithm by using 71% fewer steps on both simulations and real reactions. Furthermore, we introduced an efficient exploration strategy by drawing the reaction conditions from certain probability distributions, which resulted in an improvement on regret from 0.062 to 0.039 compared with a deterministic policy. Combining the efficient exploration policy with accelerated microdroplet reactions, optimal reaction conditions were determined in 30 min for the four reactions considered, and a better understanding of the factors that control microdroplet reactions was reached. Moreover, our model showed a better performance after training on reactions with similar or even dissimilar underlying mechanisms, which demonstrates its learning ability.

  20. Reactions and properties of clusters

    NASA Astrophysics Data System (ADS)

    Castleman, A. W., Jr.

    1992-09-01

    The elucidation from a molecular point of view of the differences and similarities in the properties and reactivity of matter in the gaseous compared to the condensed state is a subject of considerable current interest. One of the promising approaches to this problem is to utilize mass spectrometry in conjunction with laser spectroscopy and fast-flow reaction devices to investigate the changing properties, structure and reactivity of clusters as a function of the degree of solvation under well-controlled conditions. In this regard, an investigation of molecular cluster ions has provided considerable new insight into the basic mechanisms of ion reactions within a cluster, and this paper reviews some of the recent advances in cluster production, the origin of magic numbers and relationship to cluster ion stabilities, and solvation effects on reactions. There have been some notable advances in the production of large cluster ions under thermal reaction conditions, enabling a systematic study of the influence of solvation on reactions to be carried out. These and other new studies of magic numbers have traced their origin to the thermochemical stability of cluster ions. There are several classes of reaction where solvation has a notable influence on reactivity. A particularly interesting example comes from recent studies of the reactions of the hydroxyl anion with CO2 and SO2, studied as a function of the degree of hydration of OH-. Both reactions are highly exothermic, yet the differences in reactivity are dramatic. In the case of SO2, the reaction occurs at near the collision rate. By contrast, CO2 reactivity plummets dramatically for clusters having more than four water molecules. The slow rate is in accord with observations in the liquid phase.

  1. Entertaining Chemistry--Two Colorful Reactions.

    ERIC Educational Resources Information Center

    Elsworth, John F.

    2000-01-01

    Describes two related color-change reactions that are relatively easy and safe to demonstrate. In the "Sunday School Reaction", a black and a white solution are mixed to form a white solution. In the "South Africa Reaction", a series of black, brown, red, and white solutions are mixed to form a clear, colorless solution. (WRM)

  2. Link between alginate reaction front propagation and general reaction diffusion theory.

    PubMed

    Braschler, Thomas; Valero, Ana; Colella, Ludovica; Pataky, Kristopher; Brugger, Jürgen; Renaud, Philippe

    2011-03-15

    We provide a common theoretical framework reuniting specific models for the Ca(2+)-alginate system and general reaction diffusion theory along with experimental validation on a microfluidic chip. As a starting point, we use a set of nonlinear, partial differential equations that are traditionally solved numerically: the Mikkelsen-Elgsaeter model. Applying the traveling-wave hypothesis as a major simplification, we obtain an analytical solution. The solution indicates that the fundamental properties of the alginate reaction front are governed by a single dimensionless parameter λ. For small λ values, a large depletion zone accompanies the reaction front. For large λ values, the alginate reacts before having the time to diffuse significantly. We show that the λ parameter is of general importance beyond the alginate model system, as it can be used to classify known solutions for second-order reaction diffusion schemes, along with the novel solution presented here. For experimental validation, we develop a microchip model system, in which the alginate gel formation can be carried out in a highly controlled, essentially 1D environment. The use of a filter barrier enables us to rapidly renew the CaCl(2) solution, while maintaining flow speeds lower than 1 μm/s for the alginate compartment. This allows one to impose an exactly known bulk CaCl(2) concentration and diffusion resistance. This experimental model system, taken together with the theoretical development, enables the determination of the entire set of physicochemical parameters governing the alginate reaction front in a single experiment.

  3. Thermodynamics of random reaction networks.

    PubMed

    Fischer, Jakob; Kleidon, Axel; Dittrich, Peter

    2015-01-01

    Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha) and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.

  4. Optimizing Chemical Reactions with Deep Reinforcement Learning

    PubMed Central

    2017-01-01

    Deep reinforcement learning was employed to optimize chemical reactions. Our model iteratively records the results of a chemical reaction and chooses new experimental conditions to improve the reaction outcome. This model outperformed a state-of-the-art blackbox optimization algorithm by using 71% fewer steps on both simulations and real reactions. Furthermore, we introduced an efficient exploration strategy by drawing the reaction conditions from certain probability distributions, which resulted in an improvement on regret from 0.062 to 0.039 compared with a deterministic policy. Combining the efficient exploration policy with accelerated microdroplet reactions, optimal reaction conditions were determined in 30 min for the four reactions considered, and a better understanding of the factors that control microdroplet reactions was reached. Moreover, our model showed a better performance after training on reactions with similar or even dissimilar underlying mechanisms, which demonstrates its learning ability. PMID:29296675

  5. Chemical reactions in low-g

    NASA Technical Reports Server (NTRS)

    Grodzka, P. G.; Facemire, B. R.

    1978-01-01

    The Apollo-Soyuz flight experiment, 'Chemical Foams' demonstrated that foams and air/liquid dispersions are much more stable in low-gravity than on the ground. It thus should be possible to conduct unique chemical reactions in space foams. The low-g results and subsequent ground work on the formaldehyde clock reaction indicate that the reaction is strongly influenced by (1) dissociated and undissociated solution species being adsorbed at solid/liquid and gas/liquid surfaces and (2) chemical reaction rates apparently being affected by long-range forces determined by the liquid mass and the extent and nature of all surface interfaces.

  6. Lithium cell reactions

    NASA Astrophysics Data System (ADS)

    Clark, W.; Dampier, F.; McDonald, R.; Lombardi, A.; Batson, D.

    1985-02-01

    The objectives of Part 1 of this program were to: (1) investigate reactions occurring in the Li/SOCl2 cell for a range of specified test conditions, and (2) to perform analyses to identify reactants, intermediates and products generated by the chemical and electrochemical reactions occuring in the cell and to assess their impact upon safety and performance. The stoichiometry of the SOCl2 reduction reaction was investigated in 0.6 Ahr prototype cells by extracting the cells five times with pure SOCl2, after discharge then analyzing the combined extracts for SO2 by quantitative IR spectroscopy. The cells had high electrolyte-to-carbon mass ratios comparable to those in commercial cells. The multiple SOCl2 extraction procedure was developed to recover the SO2 discharge product adsorbed on the high surface area carbon electrode.

  7. Thermally multiplexed polymerase chain reaction.

    PubMed

    Phaneuf, Christopher R; Pak, Nikita; Saunders, D Curtis; Holst, Gregory L; Birjiniuk, Joav; Nagpal, Nikita; Culpepper, Stephen; Popler, Emily; Shane, Andi L; Jerris, Robert; Forest, Craig R

    2015-07-01

    Amplification of multiple unique genetic targets using the polymerase chain reaction (PCR) is commonly required in molecular biology laboratories. Such reactions are typically performed either serially or by multiplex PCR. Serial reactions are time consuming, and multiplex PCR, while powerful and widely used, can be prone to amplification bias, PCR drift, and primer-primer interactions. We present a new thermocycling method, termed thermal multiplexing, in which a single heat source is uniformly distributed and selectively modulated for independent temperature control of an array of PCR reactions. Thermal multiplexing allows amplification of multiple targets simultaneously-each reaction segregated and performed at optimal conditions. We demonstrate the method using a microfluidic system consisting of an infrared laser thermocycler, a polymer microchip featuring 1 μl, oil-encapsulated reactions, and closed-loop pulse-width modulation control. Heat transfer modeling is used to characterize thermal performance limitations of the system. We validate the model and perform two reactions simultaneously with widely varying annealing temperatures (48 °C and 68 °C), demonstrating excellent amplification. In addition, to demonstrate microfluidic infrared PCR using clinical specimens, we successfully amplified and detected both influenza A and B from human nasopharyngeal swabs. Thermal multiplexing is scalable and applicable to challenges such as pathogen detection where patients presenting non-specific symptoms need to be efficiently screened across a viral or bacterial panel.

  8. Adenine specific DNA chemical sequencing reaction.

    PubMed Central

    Iverson, B L; Dervan, P B

    1987-01-01

    Reaction of DNA with K2PdCl4 at pH 2.0 followed by a piperidine workup produces specific cleavage at adenine (A) residues. Product analysis revealed the K2PdCl4 reaction involves selective depurination at adenine, affording an excision reaction analogous to the other chemical DNA sequencing reactions. Adenine residues methylated at the exocyclic amine (N6) react with lower efficiency than unmethylated adenine in an identical sequence. This simple protocol specific for A may be a useful addition to current chemical sequencing reactions. Images PMID:3671067

  9. STS-125 Flight Controllers on Console - (Orbit Shift 1). Flight Director: Anthony Ceccacci

    NASA Image and Video Library

    2009-05-14

    JSC2009-E-120480 (14 May 2009) --- Tomas Gonzalez-Torres, STS-125 lead spacewalk officer, monitors data at his console in the space shuttle flight control room in the Mission Control Center at NASA's Johnson Space Center during flight day four activities.

  10. STS-125 Flight Controllers on Console - (Orbit Shift 1). Flight Director: Anthony Ceccacci

    NASA Image and Video Library

    2009-05-14

    JSC2009-E-120486 (14 May 2009) --- Tomas Gonzalez-Torres, STS-125 lead spacewalk officer, monitors data at his console in the space shuttle flight control room in the Mission Control Center at NASA's Johnson Space Center during flight day four activities.

  11. STS-125 Flight Controllers on Console - (Orbit Shift 2). Flight Director: Richard LaBrode

    NASA Image and Video Library

    2009-05-12

    JSC2009-E-119378 (12 May 2009) --- Tomas Gonzalez-Torres, STS-125 lead spacewalk officer, monitors data at his console in the space shuttle flight control room in the Mission Control Center at NASA's Johnson Space Center during flight day two activities.

  12. Starting with Self: Teaching Autoethnography to Foster Critically Caring Literacies

    ERIC Educational Resources Information Center

    Camangian, Patrick

    2010-01-01

    This article illustrates the application of critical literacy (Freire & Macedo, 1987; Gutierrez, 2008; Morrell, 2007) pedagogies that draw from young people's funds of knowledge (Moll, Amanti, Neff, & Gonzalez, 1992) to actively nurture personally, authentically, and culturally caring relationships (Howard, 2002; Noddings, 1992;…

  13. Engaging Students with Behavior Disorders in Mathematics Practice Using the High-"p" Strategy

    ERIC Educational Resources Information Center

    Vostal, Brooks R.

    2011-01-01

    Students with emotional and behavioral disorders (EBD) demonstrate significant academic deficits across content areas (Coutinho, 1986; Lane, Barton-Arwood, Nelson, & Wehby, 2008; Nelson, Benner, Lane, & Smith, 2004; Reid, Gonzalez, Nordness, Trout, & Epstein, 2004; Ruhl & Berlinghoff, 1992). Mathematics, however, appears to be especially…

  14. 78 FR 45573 - Compensatory and Alternative Regulatory Measures for Nuclear Power Plant Fire Protection (CARMEN...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-29

    ... Nuclear Power Plant Fire Protection (CARMEN-FIRE) AGENCY: Nuclear Regulatory Commission. ACTION: Notice of... Nuclear Power Plant Fire Protection (CARMEN-FIRE), Draft Report for Comment.'' DATES: Comments on this... CONTACT: Felix Gonzalez, Fire Research Branch, Division of Risk Analysis, Office of Nuclear Regulatory...

  15. Comet C/2001 Q4 (NEAT)

    NASA Astrophysics Data System (ADS)

    Hasubick, W.; Diepvens, A.; Gonzalez, J. J.

    2004-06-01

    Visual total-magnitude estimates: June 8.89 UT, 6.6 (W. Hasubick, Buchloe, Germany, 10x50 binoc.); 19.93, 6.4 (A. Diepvens, Balen, Belgium, 20x50 binoc.); 21.92, 6.7 (J. J. Gonzalez, Asturias, Spain, 7x50 binoc.).

  16. Power Struggles. Beginnings Workshop.

    ERIC Educational Resources Information Center

    Neugebauer, Bonnie; Duffy, Roslyn; Garbarino, James; Gonzalez-Mena, Janet

    2001-01-01

    Presents four articles about children's power struggles: (1) "The Personal Side of Power" (Bonnie Neugebauer); (2) "Learning To Harness Human Power" (Roslyn Duffy); (3) "Power Struggles: Early Experiences Matter" (James Garbarino); and (4) "Personal Power: Creating New Realities" (Janet Gonzalez-Mena). (DLH)

  17. Panama: Political and Economic Conditions and U.S. Relations

    DTIC Science & Technology

    2007-09-04

    Legislative Assembly elected Pedro Miguel Gonzalez of the ruling Democratic Revolutionary Party (PRD) as head of the legislature. The State...elections for candidate Carlos Duque , who the Noriega regime had tried to impose on the electorate through fraud.) Instead, Pérez Balladares focused

  18. 24 CFR 791.403 - Allocation of housing assistance.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... as needed for uses that the Secretary determines are incapable of geographic allocation by formula... prescribed set-aside, is, in the determination of the Secretary, incapable of geographic allocation by... programs authorized by the Cranston-Gonzalez National Affordable Housing Act: the Homeownership and...

  19. Adverse Drug Reactions in Dental Practice

    PubMed Central

    Becker, Daniel E.

    2014-01-01

    Adverse reactions may occur with any of the medications prescribed or administered in dental practice. Most of these reactions are somewhat predictable based on the pharmacodynamic properties of the drug. Others, such as allergic and pseudoallergic reactions, are less common and unrelated to normal drug action. This article will review the most common adverse reactions that are unrelated to drug allergy. PMID:24697823

  20. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions.

    PubMed

    Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B

    2007-06-16

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

  1. Microfabricated electrochemiluminescence cell for chemical reaction detection

    DOEpatents

    Northrup, M. Allen; Hsueh, Yun-Tai; Smith, Rosemary L.

    2003-01-01

    A detector cell for a silicon-based or non-silicon-based sleeve type chemical reaction chamber that combines heaters, such as doped polysilicon for heating, and bulk silicon for convection cooling. The detector cell is an electrochemiluminescence cell constructed of layers of silicon with a cover layer of glass, with spaced electrodes located intermediate various layers forming the cell. The cell includes a cavity formed therein and fluid inlets for directing reaction fluid therein. The reaction chamber and detector cell may be utilized in any chemical reaction system for synthesis or processing of organic, inorganic, or biochemical reactions, such as the polymerase chain reaction (PCR) and/or other DNA reactions, such as the ligase chain reaction, which are examples of a synthetic, thermal-cycling-based reaction. The ECL cell may also be used in synthesis instruments, particularly those for DNA amplification and synthesis.

  2. Thermodynamics of Random Reaction Networks

    PubMed Central

    Fischer, Jakob; Kleidon, Axel; Dittrich, Peter

    2015-01-01

    Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha) and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa −1.5 for linear and −1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks. PMID:25723751

  3. Modeling chemical reactions for drug design.

    PubMed

    Gasteiger, Johann

    2007-01-01

    Chemical reactions are involved at many stages of the drug design process. This starts with the analysis of biochemical pathways that are controlled by enzymes that might be downregulated in certain diseases. In the lead discovery and lead optimization process compounds have to be synthesized in order to test them for their biological activity. And finally, the metabolism of a drug has to be established. A better understanding of chemical reactions could strongly help in making the drug design process more efficient. We have developed methods for quantifying the concepts an organic chemist is using in rationalizing reaction mechanisms. These methods allow a comprehensive modeling of chemical reactivity and thus are applicable to a wide variety of chemical reactions, from gas phase reactions to biochemical pathways. They are empirical in nature and therefore allow the rapid processing of large sets of structures and reactions. We will show here how methods have been developed for the prediction of acidity values and of the regioselectivity in organic reactions, for designing the synthesis of organic molecules and of combinatorial libraries, and for furthering our understanding of enzyme-catalyzed reactions and of the metabolism of drugs.

  4. Over 20 years of reaction access systems from MDL: a novel reaction substructure search algorithm.

    PubMed

    Chen, Lingran; Nourse, James G; Christie, Bradley D; Leland, Burton A; Grier, David L

    2002-01-01

    From REACCS, to MDL ISIS/Host Reaction Gateway, and most recently to MDL Relational Chemistry Server, a new product based on Oracle data cartridge technology, MDL's reaction database management and retrieval systems have undergone great changes. The evolution of the system architecture is briefly discussed. The evolution of MDL reaction substructure search (RSS) algorithms is detailed. This article mainly describes a novel RSS algorithm. This algorithm is based on a depth-first search approach and is able to fully and prospectively use reaction specific information, such as reacting center and atom-atom mapping (AAM) information. The new algorithm has been used in the recently released MDL Relational Chemistry Server and allows the user to precisely find reaction instances in databases while minimizing unrelated hits. Finally, the existing and new RSS algorithms are compared with several examples.

  5. Silk suture reaction in thyroid surgery

    PubMed Central

    Soylu, Selen; Teksoz, Serkan; Ozcan, Murat; Bukey, Yusuf

    2017-01-01

    Silk suture reaction (i.e., a benign granulomatous inflammatory foreign body reaction) is a rare complication of thyroid surgery. Here, two cases of post-thyroidectomy suture reaction are presented. Both of the patients were female, one is 48 and the other is 34 years old. The patients were presented with neck swelling and leakage of serous fluid from the Kocher’s incision. Both patients had normal free T4, free T3, and TSH values. The 48-year-old female patient had a right subtotal and left near-total thyroidectomy 6 years ago and the other had bilateral total thyroidectomy 6 years ago. In the physical examination a mobile, painless, red, swelling was palpated in front of neck. In the ultrasound of both patients, a heterogeneous nodule with hypoechoic rim was seen, however, in scintigraphy no radiopharmaceutical involvement was observed in thyroid region. Due to suspicion of thyroid malignancy, a fine needle aspiration biopsy was performed and foreign body reaction was revealed cytologically. A suture reaction can vary from an erythematous swelling to chronic granulomatous reaction. The time interval between the operation and formation of suture reaction was 6 years in both of the cases thus these patients were considered as chronic patients. Foreign body reaction diagnosis was confirmed with fine needle aspiration biopsy. It is important to diagnose these chronic inflammation cases since these cases can mimic recurrence in thyroid malignancies. A post-thyroidectomy suture reaction is diagnosed cytologically with fine needle aspiration biopsy and by surgical removal of suture, this chronic inflammatory reaction can be cured. PMID:29142853

  6. Solar-thermal reaction processing

    DOEpatents

    Weimer, Alan W; Dahl, Jaimee K; Lewandowski, Allan A; Bingham, Carl; Raska Buechler, Karen J; Grothe, Willy

    2014-03-18

    In an embodiment, a method of conducting a high temperature chemical reaction that produces hydrogen or synthesis gas is described. The high temperature chemical reaction is conducted in a reactor having at least two reactor shells, including an inner shell and an outer shell. Heat absorbing particles are included in a gas stream flowing in the inner shell. The reactor is heated at least in part by a source of concentrated sunlight. The inner shell is heated by the concentrated sunlight. The inner shell re-radiates from the inner wall and heats the heat absorbing particles in the gas stream flowing through the inner shell, and heat transfers from the heat absorbing particles to the first gas stream, thereby heating the reactants in the gas stream to a sufficiently high temperature so that the first gas stream undergoes the desired reaction(s), thereby producing hydrogen or synthesis gas in the gas stream.

  7. Adverse reactions to sulfites

    PubMed Central

    Yang, William H.; Purchase, Emerson C.R.

    1985-01-01

    Sulfites are widely used as preservatives in the food and pharmaceutical industries. In the United States more than 250 cases of sulfite-related adverse reactions, including anaphylactic shock, asthmatic attacks, urticaria and angioedema, nausea, abdominal pain and diarrhea, seizures and death, have been reported, including 6 deaths allegedly associated with restaurant food containing sulfites. In Canada 10 sulfite-related adverse reactions have been documented, and 1 death suspected to be sulfite-related has occurred. The exact mechanism of sulfite-induced reactions is unknown. Practising physicians should be aware of the clinical manifestations of sulfite-related adverse reactions as well as which foods and pharmaceuticals contain sulfites. Cases should be reported to health officials and proper advice given to the victims to prevent further exposure to sulfites. The food industry, including beer and wine manufacturers, and the pharmaceutical industry should consider using alternative preservatives. In the interim, they should list any sulfites in their products. PMID:4052897

  8. Employee reactions to managed care.

    PubMed

    Proenca, E J

    1999-01-01

    Employee reactions to managed care get less managerial and research attention than organizational reactions to it. This article examines the manner in which health services employees react to managed care and finds that their reaction affects perceived job insecurity, organizational commitment, and job satisfaction. Organization-based self-esteem, role conflict, and supervisory support moderate these relationships. The managerial implications of these findings are discussed.

  9. Advances in copper-catalyzed C-C coupling reactions and related domino reactions based on active methylene compounds.

    PubMed

    Liu, Yunyun; Wan, Jie-Ping

    2012-06-01

    Active methylene compounds are a major class of reaction partners for C-C bond formation with sp(2) C-X (X = halide) fragments. As one of the most-classical versions of the Ullmann-type coupling reaction, activated-methylene-based C-C coupling reactions have been efficiently employed in a large number of syntheses. Although this type of reaction has long relied on noble-metal catalysis, the renaissance of copper catalysis at the end of last century has led to dramatic developments in Ullmann C-C coupling reactions. Owing to its low cost, abundance, as well as excellent catalytic activity, the exceptional atom economy of copper catalysis is gaining widespread attention in various organic synthesis. This review summarizes the advances in copper-catalyzed intermolecular and intramolecular C-C coupling reactions that use activated methylene species as well as in tandem reactions that are initiated by this transformation. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Hydrogen evolution reaction catalyst

    DOEpatents

    Subbaraman, Ram; Stamenkovic, Vojislav; Markovic, Nenad; Tripkovic, Dusan

    2016-02-09

    Systems and methods for a hydrogen evolution reaction catalyst are provided. Electrode material includes a plurality of clusters. The electrode exhibits bifunctionality with respect to the hydrogen evolution reaction. The electrode with clusters exhibits improved performance with respect to the intrinsic material of the electrode absent the clusters.

  11. Oscillating Reactions: Two Analogies

    ERIC Educational Resources Information Center

    Petruševski, Vladimir M.; Stojanovska, Marina I.; Šoptrajanov, Bojan T.

    2007-01-01

    Oscillating chemical reactions are truly spectacular phenomena, and demonstrations are always appreciated by the class. However, explaining such reactions to high school or first-year university students is problematic, because it may seem that no acceptable explanation is possible unless the students have profound knowledge of both physical…

  12. Clock Reaction: Outreach Attraction

    ERIC Educational Resources Information Center

    Carpenter, Yuen-ying; Phillips, Heather A.; Jakubinek, Michael B.

    2010-01-01

    Chemistry students are often introduced to the concept of reaction rates through demonstrations or laboratory activities involving the well-known iodine clock reaction. For example, a laboratory experiment involving thiosulfate as an iodine scavenger is part of the first-year general chemistry laboratory curriculum at Dalhousie University. With…

  13. Anomalous diffusion with linear reaction dynamics: from continuous time random walks to fractional reaction-diffusion equations.

    PubMed

    Henry, B I; Langlands, T A M; Wearne, S L

    2006-09-01

    We have revisited the problem of anomalously diffusing species, modeled at the mesoscopic level using continuous time random walks, to include linear reaction dynamics. If a constant proportion of walkers are added or removed instantaneously at the start of each step then the long time asymptotic limit yields a fractional reaction-diffusion equation with a fractional order temporal derivative operating on both the standard diffusion term and a linear reaction kinetics term. If the walkers are added or removed at a constant per capita rate during the waiting time between steps then the long time asymptotic limit has a standard linear reaction kinetics term but a fractional order temporal derivative operating on a nonstandard diffusion term. Results from the above two models are compared with a phenomenological model with standard linear reaction kinetics and a fractional order temporal derivative operating on a standard diffusion term. We have also developed further extensions of the CTRW model to include more general reaction dynamics.

  14. Regulation of lecithin-cholesterol acyltransferase reaction by acyl acceptors and demonstration of its "idling" reaction.

    PubMed

    Czarnecka, H; Yokoyama, S

    1993-09-15

    The mechanism for regulation of cholesterol esterification by lecithin-cholesterol acyltransferase (LCAT) was studied using the highly isolated enzyme from pig plasma. In the reaction with phosphatidylcholine small unilamellar vesicles, cholesterol, water, diacylglycerol, and lysophosphatidylcholine were all potent acceptors of an acyl group cleaved from the sn-2 position of egg phosphatidylcholine, generating cholesteryl ester, free fatty acid, triglyceride, and phosphatidylcholine, respectively. All of these reactions required activation by human apolipoprotein A-I, suggesting that this activation leads to the deacylation of phosphatidylcholine. Those acceptors competed against each other in this vesicle reaction system, and cholesterol was the most potent acyl acceptor. Lysophosphatidylcholine that was endogenously generated by deacylation of phosphatidylcholine in the first step of the LCAT reaction was also a good acyl acceptor, showing that the reaction is always partly "idling." Bovine serum albumin partially inhibited this idling reaction in a concentration-dependent manner up to 80% at 0.60 mM. The above results were essentially reproducible with high density lipoprotein, except that cholesterol is less potent than lysophosphatidylcholine in accepting the acyl group under the condition used. Unlike the apolipoprotein A-I-activated reaction, cholesterol was esterified only slightly by the LCAT reaction on low density lipoprotein and, consequently, did not compete against lysophosphatidylcholine for generation of phosphatidylcholine. Thus, apoB may activate LCAT in a very different manner from apoA-I. The rate of esterification of lysophosphatidylcholine on low density lipoprotein was one-tenth of that on the vesicles and on high density lipoprotein. Thus, LCAT is active on low density lipoprotein but mostly idling as deacylating and reacylating glycerophospholipids.

  15. Enzymatic reactions in confined environments

    NASA Astrophysics Data System (ADS)

    Küchler, Andreas; Yoshimoto, Makoto; Luginbühl, Sandra; Mavelli, Fabio; Walde, Peter

    2016-05-01

    Within each biological cell, surface- and volume-confined enzymes control a highly complex network of chemical reactions. These reactions are efficient, timely, and spatially defined. Efforts to transfer such appealing features to in vitro systems have led to several successful examples of chemical reactions catalysed by isolated and immobilized enzymes. In most cases, these enzymes are either bound or adsorbed to an insoluble support, physically trapped in a macromolecular network, or encapsulated within compartments. Advanced applications of enzymatic cascade reactions with immobilized enzymes include enzymatic fuel cells and enzymatic nanoreactors, both for in vitro and possible in vivo applications. In this Review, we discuss some of the general principles of enzymatic reactions confined on surfaces, at interfaces, and inside small volumes. We also highlight the similarities and differences between the in vivo and in vitro cases and attempt to critically evaluate some of the necessary future steps to improve our fundamental understanding of these systems.

  16. Atherton–Todd reaction: mechanism, scope and applications

    PubMed Central

    Le Corre, Stéphanie S; Berchel, Mathieu; Couthon-Gourvès, Hélène; Haelters, Jean-Pierre

    2014-01-01

    Summary Initially, the Atherton–Todd (AT) reaction was applied for the synthesis of phosphoramidates by reacting dialkyl phosphite with a primary amine in the presence of carbon tetrachloride. These reaction conditions were subsequently modified with the aim to optimize them and the reaction was extended to different nucleophiles. The mechanism of this reaction led to controversial reports over the past years and is adequately discussed. We also present the scope of the AT reaction. Finally, we investigate the AT reaction by means of exemplary applications, which mainly concern three topics. First, we discuss the activation of a phenol group as a phosphate which allows for subsequent transformations such as cross coupling and reduction. Next, we examine the AT reaction applied to produce fire retardant compounds. In the last section, we investigate the use of the AT reaction for the production of compounds employed for biological applications. The selected examples to illustrate the applications of the Atherton–Todd reaction mainly cover the past 15 years. PMID:24991268

  17. Connecting localized DNA strand displacement reactions

    NASA Astrophysics Data System (ADS)

    Mullor Ruiz, Ismael; Arbona, Jean-Michel; Lad, Amitkumar; Mendoza, Oscar; Aimé, Jean-Pierre; Elezgaray, Juan

    2015-07-01

    Logic circuits based on DNA strand displacement reactions have been shown to be versatile enough to compute the square root of four-bit numbers. The implementation of these circuits as a set of bulk reactions faces difficulties which include leaky reactions and intrinsically slow, diffusion-limited reaction rates. In this paper, we consider simple examples of these circuits when they are attached to platforms (DNA origamis). As expected, constraining distances between DNA strands leads to faster reaction rates. However, it also induces side-effects that are not detectable in the solution-phase version of this circuitry. Appropriate design of the system, including protection and asymmetry between input and fuel strands, leads to a reproducible behaviour, at least one order of magnitude faster than the one observed under bulk conditions.Logic circuits based on DNA strand displacement reactions have been shown to be versatile enough to compute the square root of four-bit numbers. The implementation of these circuits as a set of bulk reactions faces difficulties which include leaky reactions and intrinsically slow, diffusion-limited reaction rates. In this paper, we consider simple examples of these circuits when they are attached to platforms (DNA origamis). As expected, constraining distances between DNA strands leads to faster reaction rates. However, it also induces side-effects that are not detectable in the solution-phase version of this circuitry. Appropriate design of the system, including protection and asymmetry between input and fuel strands, leads to a reproducible behaviour, at least one order of magnitude faster than the one observed under bulk conditions. Electronic supplementary information (ESI) available. See DOI: 10.1039/C5NR02434J

  18. A compositional framework for reaction networks

    NASA Astrophysics Data System (ADS)

    Baez, John C.; Pollard, Blake S.

    Reaction networks, or equivalently Petri nets, are a general framework for describing processes in which entities of various kinds interact and turn into other entities. In chemistry, where the reactions are assigned ‘rate constants’, any reaction network gives rise to a nonlinear dynamical system called its ‘rate equation’. Here we generalize these ideas to ‘open’ reaction networks, which allow entities to flow in and out at certain designated inputs and outputs. We treat open reaction networks as morphisms in a category. Composing two such morphisms connects the outputs of the first to the inputs of the second. We construct a functor sending any open reaction network to its corresponding ‘open dynamical system’. This provides a compositional framework for studying the dynamics of reaction networks. We then turn to statics: that is, steady state solutions of open dynamical systems. We construct a ‘black-boxing’ functor that sends any open dynamical system to the relation that it imposes between input and output variables in steady states. This extends our earlier work on black-boxing for Markov processes.

  19. Contact-Allergic Reactions to Cosmetics

    PubMed Central

    Goossens, An

    2011-01-01

    Contact-allergic reactions to cosmetics may be delayed-type reactions such as allergic and photo-allergic contact dermatitis, and more exceptionally also immediate-type reactions, that is, contact urticaria. Fragrances and preservative agents are the most important contact allergens, but reactions also occur to category-specific products such as hair dyes and other hair-care products, nail cosmetics, sunscreens, as well as to antioxidants, vehicles, emulsifiers, and, in fact, any possible cosmetic ingredient. Patch and prick testing to detect the respective culprits remains the golden standard for diagnosis, although additional tests might be useful as well. Once the specific allergens are identified, the patients should be informed of which products can be safely used in the future. PMID:21461388

  20. The Michael Reaction

    NASA Astrophysics Data System (ADS)

    Poon, Thomas; Mundy, Bradford P.; Shattuck, Thomas W.

    2002-02-01

    A brief account of the Michael reaction is provided, illustrating its versatility as a topic in undergraduate chemistry courses. Included is a short biography of the reaction's namesake, examples of its use in organic synthesis, and its unique role in the defense mechanism of the bacterium Micromonospora echinospora. A computational rationale for the selectivity of 1,4 versus 1,2 addition of nucleophiles to a,b-unsaturated carbonyls is discussed and links to animations suitable for an introductory organic chemistry course are provided.

  1. ANALYZING THE SUSTAINABILITY OF GREEN PROCESSES: METHODS FOR EVALUATING THE FOUR E'S

    EPA Science Inventory

    Analyzing the Sustainability of Green Processes: Methods for Evaluating the Four E's

    By Raymond L. Smith and Michael A. Gonzalez

    A considerable amount of research is being performed under the banners of "sustainable" and/or "green." The development of chemistries...

  2. Disarming Microaggressions: How Black College Students Self-Regulate Racial Stressors within Predominately White Institutions

    ERIC Educational Resources Information Center

    Watkins, Nicole L.

    2012-01-01

    The nature of racism in the United States has transformed from overt prejudice and blatant discrimination to more covert, embedded, ambiguous manifestations called racial microaggressions (Constantine, 2007; Pierce, Carew, Pierce-Gonzalez, & Willis, 1978; Sue, Capidolupo et al., 2007). Researchers have demonstrated the unique, harmful, and…

  3. Perspectives on Official English. The Campaign for English as the Official Language of the USA.

    ERIC Educational Resources Information Center

    Adams, Karen L., Ed.; Brink, Daniel T., Ed.

    Essays on the campaign to establish English as the United States' official language include: "Official Languages and Language Planning" (Richard Ruiz); "Una lingua, una patria?: Is Monolingualism Beneficial or Harmful to a Nation's Unity?" (David F. Marshall and Roseann D. Gonzalez); "Canadian Perspectives on Official…

  4. 77 FR 71028 - Twelfth Meeting: RTCA Special Committee 223, Airport Surface Wireless Communications

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-11-28

    ... by Special Committee Leadership Agenda Overview Review/Approve prior Plenary Meeting Summary and... committee at any time. Issued in Washington, DC, on November 8, 2012. Richard F. Gonzalez, Management Analyst, Business Operations Group, Federal Aviation Administration. [FR Doc. 2012-28854 Filed 11-27-12; 8...

  5. Editorial: Plant organ abscission: from models to crops

    USDA-ARS?s Scientific Manuscript database

    The shedding of plant organs is a highly coordinated process essential for both vegetative and reproductive development (Addicott, 1982; Sexton and Roberts, 1982; Roberts et al., 2002; Leslie et al., 2007; Roberts and Gonzalez-Carranza, 2007; Estornell et al., 2013). Research with model plants, name...

  6. Analysis of Remote Trauma Transfers in South Central Texas with Comparison with Current US Combat Operations: Results of the RemTORN-I Study

    DTIC Science & Technology

    2013-01-01

    product and procoagulant use by paramedical personnel, and clinical trials of freeze-dried plasma, tranexamic acid , and other intravascular...of administering tranexamic acid to bleeding trauma patients using evidence from the CRASH-2 trial. PLoS One. 2011;6(5):e18987. 3. Gonzalez RP

  7. Reciprocity theory of homogeneous reactions

    NASA Astrophysics Data System (ADS)

    Agbormbai, Adolf A.

    1990-03-01

    The reciprocity formalism is applied to the homogeneous gaseous reactions in which the structure of the participating molecules changes upon collision with one another, resulting in a change in the composition of the gas. The approach is applied to various classes of dissociation, recombination, rearrangement, ionizing, and photochemical reactions. It is shown that for the principle of reciprocity to be satisfied it is necessary that all chemical reactions exist in complementary pairs which consist of the forward and backward reactions. The backward reaction may be described by either the reverse or inverse process. The forward and backward processes must satisfy the same reciprocity equation. Because the number of dynamical variables is usually unbalanced on both sides of a chemical equation, it is necessary that this balance be established by including as many of the dynamical variables as needed before the reciprocity equation can be formulated. Statistical transformation models of the reactions are formulated. The models are classified under the titles free exchange, restricted exchange and simplified restricted exchange. The special equations for the forward and backward processes are obtained. The models are consistent with the H theorem and Le Chatelier's principle. The models are also formulated in the context of the direct simulation Monte Carlo method.

  8. Hydrazine decomposition and other reactions

    NASA Technical Reports Server (NTRS)

    Armstrong, Warren E. (Inventor); La France, Donald S. (Inventor); Voge, Hervey H. (Inventor)

    1978-01-01

    This invention relates to the catalytic decomposition of hydrazine, catalysts useful for this decomposition and other reactions, and to reactions in hydrogen atmospheres generally using carbon-containing catalysts.

  9. Magnetite-supported sulfonic acid: a retrievable nanocatalyst for the Ritter reaction and multicomponent reactions

    EPA Science Inventory

    Magnetite-sulfonic acid (NanocatFe-OSO3H), prepared by wet-impregnation method, serves as a magnetically retrievable sustainable catalyst for the Ritter reaction which can be used in several reaction cycles without any loss of activity.

  10. Normobaric hypoxia overnight impairs cognitive reaction time.

    PubMed

    Pramsohler, Stephan; Wimmer, Stefan; Kopp, Martin; Gatterer, Hannes; Faulhaber, Martin; Burtscher, Martin; Netzer, Nikolaus Cristoph

    2017-05-15

    Impaired reaction time in patients suffering from hypoxia during sleep, caused by sleep breathing disorders, is a well-described phenomenon. High altitude sleep is known to induce periodic breathing with central apneas and oxygen desaturations, even in perfectly healthy subjects. However, deficits in reaction time in mountaineers or workers after just some nights of hypoxia exposure are not sufficiently explored. Therefore, we aimed to investigate the impact of sleep in a normobaric hypoxic environment on reaction time divided by its cognitive and motoric components. Eleven healthy non acclimatized students (5f, 6m, 21 ± 2.1 years) slept one night at a simulated altitude of 3500 m in a normobaric hypoxic room, followed by a night with polysomnography at simulated 5500 m. Preexisting sleep disorders were excluded via BERLIN questionnaire. All subjects performed a choice reaction test (SCHUHFRIED RT, S3) at 450 m and directly after the nights at simulated 3500 and 5500 m. We found a significant increase of cognitive reaction time with higher altitude (p = 0.026). No changes were detected in movement time (p = n.s.). Reaction time, the combined parameter of cognitive- and motoric reaction time, didn't change either (p = n.s.). Lower SpO 2 surprisingly correlated significantly with shorter cognitive reaction time (r = 0.78, p = 0.004). Sleep stage distribution and arousals at 5500 m didn't correlate with reaction time, cognitive reaction time or movement time. Sleep in hypoxia does not seem to affect reaction time to simple tasks. The component of cognitive reaction time is increasingly delayed whereas motoric reaction time seems not to be affected. Low SpO 2 and arousals are not related to increased cognitive reaction time therefore the causality remains unclear. The fact of increased cognitive reaction time after sleep in hypoxia, considering high altitude workers and mountaineering operations with overnight stays, should be further investigated.

  11. Radiative capture reactions via indirect methods

    NASA Astrophysics Data System (ADS)

    Mukhamedzhanov, A. M.; Rogachev, G. V.

    2017-10-01

    Many radiative capture reactions of astrophysical interest occur at such low energies that their direct measurement is hardly possible. Until now the only indirect method, which was used to determine the astrophysical factor of the astrophysical radiative capture process, was the Coulomb dissociation. In this paper we address another indirect method, which can provide information about resonant radiative capture reactions at astrophysically relevant energies. This method can be considered an extension of the Trojan horse method for resonant radiative capture reactions. The idea of the suggested indirect method is to use the indirect reaction A (a ,s γ )F to obtain information about the radiative capture reaction A (x ,γ )F , where a =(s x ) and F =(x A ) . The main advantage of using the indirect reactions is the absence of the penetrability factor in the channel x +A , which suppresses the low-energy cross sections of the A (x ,γ )F reactions and does not allow one to measure these reactions at astrophysical energies. A general formalism to treat indirect resonant radiative capture reactions is developed when only a few intermediate states contribute and a statistical approach cannot be applied. The indirect method requires coincidence measurements of the triple differential cross section, which is a function of the photon scattering angle, energy, and the scattering angle of the outgoing spectator particle s . Angular dependence of the triple differential cross section at fixed scattering angle of the spectator s is the angular γ -s correlation function. Using indirect resonant radiative capture reactions, one can obtain information about important astrophysical resonant radiative capture reactions such as (p ,γ ) , (α ,γ ) , and (n ,γ ) on stable and unstable isotopes. The indirect technique makes accessible low-lying resonances, which are close to the threshold, and even subthreshold bound states located at negative energies. In this paper, after

  12. Comparison of Sprint Reaction and Visual Reaction Times of Athletes in Different Branches

    ERIC Educational Resources Information Center

    Akyüz, Murat; Uzaldi, Basar Basri; Akyüz, Öznur; Dogru, Yeliz

    2017-01-01

    The aims of this study are to analyse sprint reaction and visual reaction times of female athletes of different branches competing in Professional leagues and to show the differences between them. 42 voluntary female athletes from various branches of Professional leagues of Istanbul (volleyball, basketball, handball) were included in the…

  13. Catalysis of Nuclear Reactions by Electrons

    NASA Astrophysics Data System (ADS)

    Lipoglavšek, Matej

    2018-01-01

    Electron screening enhances nuclear reaction cross sections at low energies. We studied the nuclear reaction 1H(19F,αγ)16O in inverse kinematics in different solid hydrogen targets. Measured resonance strengths differed by up to a factor of 10 in different targets. We also studied the 2H(p,γ)3He fusion reaction and observed electrons emitted as reaction products instead of γ rays. In this case electron screening greatly enhances internal conversion probability.

  14. Electrode Reactions in Slowly Relaxing Media

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

    Matyushov, Dmitry V.; Newton, Marshall D.

    Here, standard models of reaction kinetics in condensed materials rely on the Boltzmann-Gibbs distribution for the population of reactants at the top of the free energy barrier separating them from the products. While energy dissipation and quantum effects at the barrier top can potentially affect the transmission coefficient entering the rate preexponential factor, much stronger dynamical effects on the reaction barrier are caused by the breakdown of ergodicity for populating the reaction barrier (violation of the Boltzmann-Gibbs statistics). When the spectrum of medium modes coupled to the reaction coordinate includes fluctuations slower than the reaction rate, such nuclear motions dynamicallymore » freeze on the reaction time-scale and do not contribute to the activation barrier. In this paper, we consider the consequences of this scenario for electrode reactions in slowly relaxing media. Changing electrode overpotential speeds electrode electron transfer up, potentially cutting through the spectrum of nuclear modes coupled to the reaction coordinate. The reorganization energy of electrochemical electron transfer becomes a function of the electrode overpotential, switching between the thermodynamic value at low rates to the nonergodic limit at higher rates. The sharpness of this transition depends of the relaxation spectrum of the medium. The reorganization energy experiences a sudden drop with increasing overpotential for a medium with a Debye relaxation, but becomes a much shallower function of the overpotential for media with stretched exponential dynamics. The latter scenario characterizes electron transfer in ionic liquids. The analysis of electrode reactions in room-temperature ionic liquids shows that the magnitude of the free energy of nuclear solvation is significantly below its thermodynamic limit. Finally, this result applies to reaction times faster than microseconds and is currently limited by the available dielectric relaxation data.« less

  15. Electrode Reactions in Slowly Relaxing Media

    DOE PAGES

    Matyushov, Dmitry V.; Newton, Marshall D.

    2017-11-17

    Here, standard models of reaction kinetics in condensed materials rely on the Boltzmann-Gibbs distribution for the population of reactants at the top of the free energy barrier separating them from the products. While energy dissipation and quantum effects at the barrier top can potentially affect the transmission coefficient entering the rate preexponential factor, much stronger dynamical effects on the reaction barrier are caused by the breakdown of ergodicity for populating the reaction barrier (violation of the Boltzmann-Gibbs statistics). When the spectrum of medium modes coupled to the reaction coordinate includes fluctuations slower than the reaction rate, such nuclear motions dynamicallymore » freeze on the reaction time-scale and do not contribute to the activation barrier. In this paper, we consider the consequences of this scenario for electrode reactions in slowly relaxing media. Changing electrode overpotential speeds electrode electron transfer up, potentially cutting through the spectrum of nuclear modes coupled to the reaction coordinate. The reorganization energy of electrochemical electron transfer becomes a function of the electrode overpotential, switching between the thermodynamic value at low rates to the nonergodic limit at higher rates. The sharpness of this transition depends of the relaxation spectrum of the medium. The reorganization energy experiences a sudden drop with increasing overpotential for a medium with a Debye relaxation, but becomes a much shallower function of the overpotential for media with stretched exponential dynamics. The latter scenario characterizes electron transfer in ionic liquids. The analysis of electrode reactions in room-temperature ionic liquids shows that the magnitude of the free energy of nuclear solvation is significantly below its thermodynamic limit. Finally, this result applies to reaction times faster than microseconds and is currently limited by the available dielectric relaxation data.« less

  16. Will water act as a photocatalyst for cluster phase chemical reactions? Vibrational overtone-induced dehydration reaction of methanediol

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

    Kramer, Zeb C.; Takahashi, Kaito; Skodje, Rex T.

    2012-04-28

    The possibility of water catalysis in the vibrational overtone-induced dehydration reaction of methanediol is investigated using ab initio dynamical simulations of small methanediol-water clusters. Quantum chemistry calculations employing clusters with one or two water molecules reveal that the barrier to dehydration is lowered by over 20 kcal/mol because of hydrogen-bonding at the transition state. Nevertheless, the simulations of the reaction dynamics following OH-stretch excitation show little catalytic effect of water and, in some cases, even show an anticatalytic effect. The quantum yield for the dehydration reaction exhibits a delayed threshold effect where reaction does not occur until the photon energymore » is far above the barrier energy. Unlike thermally induced reactions, it is argued that competition between reaction and the irreversible dissipation of photon energy may be expected to raise the dynamical threshold for the reaction above the transition state energy. It is concluded that quantum chemistry calculations showing barrier lowering are not sufficient to infer water catalysis in photochemical reactions, which instead require dynamical modeling.« less

  17. Breakup fusion theory of nuclear reactions

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

    Mastroleo, R.C.

    1987-01-01

    Continuum spectra of particles emitted in incomplete fusion reactions are one of the major interests in current nuclear reaction studies. Based on an idea of the so-called breakup fusion (BF) reaction, several authors derived closed formulas for the singles cross section of the particles that are emitted. There have been presented, however, two conflicting cross section formulas for the same BF reaction. For convenience, we shall call one of them the IAV (Ichimura, Austern and Vincent) and the other UT (Udagawa and Tamura) cross section formulas. In this work, the formulation of the UT cross section formula (prior-form) is presented,more » and the post-form version of the IAV cross section formula is evaluted for a few {alpha}- and d-induced reactions based on the exact finite range method. It is shown that the values thus calculated are larger by an order of magnitude as compared with the experimental cross sections for the {alpha}-induced reactions, while they are comparable with the experimental cross sections for the d-induced reactions. A possible origin of why such a large cross section is resulted in the case of {alpha}-induced reactions is also discussed. Polarization of the residual compound nucleus produced in breakup fusion reactions are calculated and compared with experiments. It is shown that the polarization is rather sensitive to the deflection angles of the strongly absortive partial waves and to obtain a good fit with the experimental data a l-dependent potential in the incident channel is needed in order to stress the lower partial waves.« less

  18. Catalytic Conia-ene and related reactions.

    PubMed

    Hack, Daniel; Blümel, Marcus; Chauhan, Pankaj; Philipps, Arne R; Enders, Dieter

    2015-10-07

    Since its initial inception, the Conia-ene reaction, known as the intramolecular addition of enols to alkynes or alkenes, has experienced a tremendous development and appealing catalytic protocols have emerged. This review fathoms the underlying mechanistic principles rationalizing how substrate design, substrate activation, and the nature of the catalyst work hand in hand for the efficient synthesis of carbocycles and heterocycles at mild reaction conditions. Nowadays, Conia-ene reactions can be found as part of tandem reactions, and the road for asymmetric versions has already been paved. Based on their broad applicability, Conia-ene reactions have turned into a highly appreciated synthetic tool with impressive examples in natural product synthesis reported in recent years.

  19. Heavy ion fusion reactions in stars

    NASA Astrophysics Data System (ADS)

    Tang, X. D.

    2018-04-01

    Heavy ion fusion reactions play important roles in a wide variety of stellar burning scenarios. 12C+12C, 12C+16O and 16O+16O are the principle reactions during the advance burning stages of massive star. 12C+12C also triggers the happening of superburst and Type Ia supernovae. The heavy ion fusion reactions of the neutron-rich isotopes such as 24O are the major heating source in the crust of neutron star. In this talk, I will review the challenges and the recent progress in the study of these heavy ion fusion reactions at stellar energies. The outlook for the studies of the astrophysical heavy-ion fusion reactions will also be presented.

  20. Infrared Emission from Gas-Aerosol Reactions

    DTIC Science & Technology

    1982-09-01

    Gaseous Amonia Infrared (IR) "Gas-aerosol Reactions Sulfuric Acid- amonia IR Luminescence Exothermic Reactions Octanoic Acid- amonia IR Laser Acid-base...of radiation observed from the reactions of chloro- sulfuric acid aerosol with gaseous amonia and water. Other systems which were screened including

  1. Microfluidic study of fast gas-liquid reactions.

    PubMed

    Li, Wei; Liu, Kun; Simms, Ryan; Greener, Jesse; Jagadeesan, Dinesh; Pinto, Sascha; Günther, Axel; Kumacheva, Eugenia

    2012-02-15

    We present a new concept for studies of the kinetics of fast gas-liquid reactions. The strategy relies on the microfluidic generation of highly monodisperse gas bubbles in the liquid reaction medium and subsequent analysis of time-dependent changes in bubble dimensions. Using reactions of CO(2) with secondary amines as an exemplary system, we demonstrate that the method enables rapid determination of reaction rate constant and conversion, and comparison of various binding agents. The proposed approach addresses two challenges in studies of gas-liquid reactions: a mass-transfer limitation and a poorly defined gas-liquid interface. The proposed strategy offers new possibilities in studies of the fundamental aspects of rapid multiphase reactions, and can be combined with throughput optimization of reaction conditions.

  2. Degradations and Rearrangement Reactions

    NASA Astrophysics Data System (ADS)

    Zhang, Jianbo

    This section deals with recent reports concerning degradation and rearrangement reactions of free sugars as well as some glycosides. The transformations are classified in chemical and enzymatic ways. In addition, the Maillard reaction will be discussed as an example of degradation and rearrangement transformation and its application in current research in the fields of chemistry and biology.

  3. Trimolecular reactions of uranium hexafluoride with water.

    PubMed

    Lind, Maria C; Garrison, Stephen L; Becnel, James M

    2010-04-08

    The hydrolysis reaction of uranium hexafluoride (UF(6)) is a key step in the synthesis of uranium dioxide (UO(2)) powder for nuclear fuels. Mechanisms for the hydrolysis reactions are studied here with density functional theory and the Stuttgart small-core scalar relativistic pseudopotential and associated basis set for uranium. The reaction of a single UF(6) molecule with a water molecule in the gas phase has been previously predicted to proceed over a relatively sizable barrier of 78.2 kJ x mol(-1), indicating this reaction is only feasible at elevated temperatures. Given the observed formation of a second morphology for the UO(2) product coupled with the observations of rapid, spontaneous hydrolysis at ambient conditions, an alternate reaction pathway must exist. In the present work, two trimolecular hydrolysis mechanisms are studied with density functional theory: (1) the reaction between two UF(6) molecules and one water molecule, and (2) the reaction of two water molecules with a single UF(6) molecule. The predicted reaction of two UF(6) molecules with one water molecule displays an interesting "fluorine-shuttle" mechanism, a significant energy barrier of 69.0 kJ x mol(-1) to the formation of UF(5)OH, and an enthalpy of reaction (DeltaH(298)) of +17.9 kJ x mol(-1). The reaction of a single UF(6) molecule with two water molecules displays a "proton-shuttle" mechanism, and is more favorable, having a slightly lower computed energy barrier of 58.9 kJ x mol(-1) and an exothermic enthalpy of reaction (DeltaH(298)) of -13.9 kJ x mol(-1). The exothermic nature of the overall UF(6) + 2H(2)O trimolecular reaction and the lowering of the barrier height with respect to the bimolecular reaction are encouraging.

  4. An Iodine Fluorescence Quenching Clock Reaction

    ERIC Educational Resources Information Center

    Weinberg, Richard B.; Muyskens, Mark

    2007-01-01

    Clock reactions based upon competing oxidation and reduction reactions of iodine and starch as the most popular type of chemistry example is presented to illustrate the redox phenomena, reaction kinetics, and principles of chemical titration. The examination of the photophysical principles underlying the iodine fluorescence quenching clock…

  5. Diagnostic patch testing following tuberculosis-associated cutaneous adverse drug reactions induces systemic reactions in HIV-infected persons.

    PubMed

    Lehloenya, R J; Todd, G; Wallace, J; Ngwanya, M R; Muloiwa, R; Dheda, K

    2016-07-01

    The incidence of cutaneous adverse drug reactions (CADRs) to first-line antituberculosis drugs (FLTDs) is higher in HIV-tuberculosis coinfection. However, the utility of patch testing to identify the offending drug in this patient subgroup has been poorly studied. To identify drugs causing adverse drug reactions in patients with HIV-tuberculosis coinfection. Fourteen consecutive patients underwent diagnostic work-up (patch testing followed by a skin prick test and an oral rechallenge) to pinpoint the offending drug after developing FLTD-associated CADR, which included drug rash with eosinophilia and systemic symptoms (n = 12), Stevens-Johnson syndrome (SJS, n = 1) and toxic epidermal necrolysis/SJS overlap (n = 1). A positive reaction to any of the three diagnostic modalities eliminated that drug from the regimen. Once patients were clinically stable postreaction, sequential and additive rechallenge with FLTDs was initiated. Eleven of the 14 participants with FLTD-associated CADR were HIV infected (median CD4 count 149 cells mm(-3) ). In this subgroup, patch testing resulted in generalized systemic reactions in 10 of 11 patients (91%). These included rash in 10 of 13 reactions (77%), eosinophilia in eight (62%), transaminitis in seven (54%) and fever in five (38%). Isoniazid caused six of 13 (46%) generalized systemic reactions, rifampicin four (31%), ethambutol two (15%) and pyrazinamide one reaction. Using the Common Terminology Criteria for Adverse Events, five of 13 reactions were mild, six were moderate and two were severe. There were no life-threatening or fatal reactions. In HIV-infected persons with tuberculosis-associated CADR, although patch-testing reactions to FLTD are common and tend to be associated with systemic features, they are not life threatening or fatal. These data inform clinical practice in HIV-endemic settings. © 2016 British Association of Dermatologists.

  6. Anatomy of an Elementary Chemical Reaction

    NASA Astrophysics Data System (ADS)

    Alexander, Andrew J.; Zare, Richard N.

    1998-09-01

    The alchemists of old sought the knowledge to transform one material to another-for example, base metals into gold-as a path to the elixir of life. As chemists have concerned themselves with the transformation from compound to compound, so they have become involved in trying to uncover the structures of molecules and the pathways that reactions follow. Classically, the study of reaction mechanisms in chemistry encompasses reaction kinetics, the study of velocities or rates of reactions, and reaction dynamics, the study of the nanoscopic motion and rearrangement of atoms during a reactive event. An essential aim of this article is to bring the reader to a favorable vantage point with a brief introduction to reactive dynamics, and from there to describe some examples of recent strategies that have been employed to promote a fundamental understanding of the anatomy of elementary chemical reactions. In the final section we ponder future directions for this rapidly evolving field of research.

  7. Surface-Activated Coupling Reactions Confined on a Surface.

    PubMed

    Dong, Lei; Liu, Pei Nian; Lin, Nian

    2015-10-20

    Chemical reactions may take place in a pure phase of gas or liquid or at the interface of two phases (gas-solid or liquid-solid). Recently, the emerging field of "surface-confined coupling reactions" has attracted intensive attention. In this process, reactants, intermediates, and products of a coupling reaction are adsorbed on a solid-vacuum or a solid-liquid interface. The solid surface restricts all reaction steps on the interface, in other words, the reaction takes place within a lower-dimensional, for example, two-dimensional, space. Surface atoms that are fixed in the surface and adatoms that move on the surface often activate the surface-confined coupling reactions. The synergy of surface morphology and activity allow some reactions that are inefficient or prohibited in the gas or liquid phase to proceed efficiently when the reactions are confined on a surface. Over the past decade, dozens of well-known "textbook" coupling reactions have been shown to proceed as surface-confined coupling reactions. In most cases, the surface-confined coupling reactions were discovered by trial and error, and the reaction pathways are largely unknown. It is thus highly desirable to unravel the mechanisms, mechanisms of surface activation in particular, of the surface-confined coupling reactions. Because the reactions take place on surfaces, advanced surface science techniques can be applied to study the surface-confined coupling reactions. Among them, scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS) are the two most extensively used experimental tools. The former resolves submolecular structures of individual reactants, intermediates, and products in real space, while the latter monitors the chemical states during the reactions in real time. Combination of the two methods provides unprecedented spatial and temporal information on the reaction pathways. The experimental findings are complemented by theoretical modeling. In particular, density

  8. [Differentiation of nonspecific serological reactions in brucellosis].

    PubMed

    Khristoforov, L

    1979-01-01

    Differentiation of non-specific agglutination was performed by the complement binding reaction, Coombs' reaction, Hajdu reaction, the surface fixation and agglutination reaction and the reaction of complement binding with heterologic antigens. For that purpose the following were used: 1) Serums--antiglobulin against cattle globulin, 5720 serum of various animals which had manifested non-specific agglutination with brucella antigen and brucella serums of experimentally infected sheep, of naturally infected swine and of cattle--received from abroad. 2) Antigens--of Br. abortus 99, of bacteria heterologic to brucellae: Proteus vulgaris, Listeria monocytogenes, Staphylococcus albus, Escherichia coli, Streptococcus pyogenes, S. abortus ovis, for O and OH agglutination, water extraction antigens--for complement binding and concentrated suspensions of all bacteria used in brucellose and non-brucellose serum absorption. Highest number of non-specific reactions were observed in cattle serums and lowest--in goat serums. Titers with heterologic antigens were higher than these with brucella antigens. Often the serum having non-specific agglutiantion reacted not only with one, but with more heterologic antigens. Non-specific complement binding reactions were not produced in complete antibodies with the brucella antigen. Heterologic brucella antigens were exhausted more fully than heterologic complement binding antibodies. In their effectiveness (differentiation of non-specific agglutination with brucella antigen in cattle serum) the serological reactions studied rank as follows: complement binding reaction, slow agglutination with serums absorbed by heterologic antigens, surface fixation reaction, Coombs' reaction, and Hadju agglutination.

  9. Computed potential energy surfaces for chemical reactions

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.

    1994-01-01

    Quantum mechanical methods have been used to compute potential energy surfaces for chemical reactions. The reactions studied were among those believed to be important to the NASP and HSR programs and included the recombination of two H atoms with several different third bodies; the reactions in the thermal Zeldovich mechanism; the reactions of H atom with O2, N2, and NO; reactions involved in the thermal De-NO(x) process; and the reaction of CH(squared Pi) with N2 (leading to 'prompt NO'). These potential energy surfaces have been used to compute reaction rate constants and rates of unimolecular decomposition. An additional application was the calculation of transport properties of gases using a semiclassical approximation (and in the case of interactions involving hydrogen inclusion of quantum mechanical effects).

  10. A Networks Approach to Modeling Enzymatic Reactions.

    PubMed

    Imhof, P

    2016-01-01

    Modeling enzymatic reactions is a demanding task due to the complexity of the system, the many degrees of freedom involved and the complex, chemical, and conformational transitions associated with the reaction. Consequently, enzymatic reactions are not determined by precisely one reaction pathway. Hence, it is beneficial to obtain a comprehensive picture of possible reaction paths and competing mechanisms. By combining individually generated intermediate states and chemical transition steps a network of such pathways can be constructed. Transition networks are a discretized representation of a potential energy landscape consisting of a multitude of reaction pathways connecting the end states of the reaction. The graph structure of the network allows an easy identification of the energetically most favorable pathways as well as a number of alternative routes. © 2016 Elsevier Inc. All rights reserved.

  11. Process for operating equilibrium controlled reactions

    DOEpatents

    Nataraj, Shankar; Carvill, Brian Thomas; Hufton, Jeffrey Raymond; Mayorga, Steven Gerard; Gaffney, Thomas Richard; Brzozowski, Jeffrey Richard

    2001-01-01

    A cyclic process for operating an equilibrium controlled reaction in a plurality of reactors containing an admixture of an adsorbent and a reaction catalyst suitable for performing the desired reaction which is operated in a predetermined timed sequence wherein the heating and cooling requirements in a moving reaction mass transfer zone within each reactor are provided by indirect heat exchange with a fluid capable of phase change at temperatures maintained in each reactor during sorpreaction, depressurization, purging and pressurization steps during each process cycle.

  12. Direct catalytic asymmetric aldol-Tishchenko reaction.

    PubMed

    Gnanadesikan, Vijay; Horiuchi, Yoshihiro; Ohshima, Takashi; Shibasaki, Masakatsu

    2004-06-30

    A direct catalytic asymmetric aldol reaction of propionate equivalent was achieved via the aldol-Tishchenko reaction. Coupling an irreversible Tishchenko reaction to a reversible aldol reaction overcame the retro-aldol reaction problem and thereby afforded the products in high enantio and diastereoselectivity using 10 mol % of the asymmetric catalyst. A variety of ketones and aldehydes, including propyl and butyl ketones, were coupled efficiently, yielding the corresponding aldol-Tishchenko products in up to 96% yield and 95% ee. Diastereoselectivity was generally below the detection limit of 1H NMR (>98:2). Preliminary studies performed to clarify the mechanism revealed that the aldol products were racemic with no diastereoselectivity. On the other hand, the Tishchenko products were obtained in a highly enantiocontrolled manner.

  13. METHODS FOR EVALUATING THE SUSTAINABILITY OF GREEN PROCESSES

    EPA Science Inventory

    Methods for Evaluating the Sustainability of Green Processes

    By Raymond L. Smith and Michael A. Gonzalez
    U.S. Environmental Protection Agency
    Office of Research and Development
    26 W. Martin Luther King Dr.
    Cincinnati, OH 45268 USA

    Theme: New Challenges...

  14. Acoustic Detection, Behavior, and Habitat Use of Deep-Diving Odontocetes

    DTIC Science & Technology

    2011-09-22

    de Estudios de Biologia Marina. Alicante. Spain, Sept. 2010. Escanez A., Guerra A., Gonzalez A., Landeira J., Vicente A., Arranz P., Aguilar N...34Cefalopodos mesopelagicos capturados en las islas de El Hierro u Tenerife durante la campana Zifiocal-I", Sociedad Iberico de Estudios de Biologia

  15. Acoustic Detection, Behavior, and Habitat Use of Deep-Diving Odontocetes

    DTIC Science & Technology

    2010-09-30

    Biologia Marina, Alicante, Sept. 2010. Escanez A., Guerra A., Gonzalez A., Landeira J., Vicente A., Arranz P., Aguilar N., "Cefalopodos...mesopelagicos capturados en las islas de El Hierro u Tenerife durante la campana Zifiocal-I", Sociedad Iberico de Estudios de Biologia Marina, Alicante, Sept

  16. Compelling Counternarratives to Deficit Discourses: An Investigation into the Funds of Knowledge of Culturally and Linguistically Diverse U.S. Elementary Students' Households

    ERIC Educational Resources Information Center

    Kinney, Angela

    2015-01-01

    This study focused on household funds of knowledge or "historically accumulated bodies of knowledge and skills essential for household functioning and well-being" (Gonzalez, Andrade, Civil, & Moll, 2001). A Funds of Knowledge approach provides both a methodological and theoretical lens for educators to understand both themselves and…

  17. Burnout and Work Engagement: Independent Factors or Opposite Poles?

    ERIC Educational Resources Information Center

    Gonzalez-Roma, Vicente; Schaufeli, Wilmar B.; Bakker, Arnold B.; Lloret, Susana

    2006-01-01

    Burnout researchers have proposed that the conceptual opposites of emotional exhaustion and cynicism (the core dimensions of burnout) are vigor and dedication (the core dimensions of engagement), respectively (Maslach & Leiter, 1997; Schaufeli, Salanova, Gonzalez-Roma, & Bakker, 2002). We tested this proposition by ascertaining whether two sets of…

  18. 76 FR 69793 - Qualification of Drivers; Exemption Applications; Vision

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-11-09

    ... Carlos R. Gonzalez Jerard David Menyhart Danny Michael Harris Kevin Palmer Moises P. Ibarra Jeffery O... Roscoe Brittain III Jerry M. Puckett Larry Dexter Georgia Marcum John Darr Kevin Menard Christopher Jax Charles Ray Brittain Kevin Robert Cowger Clifford Blaine Thompson Timothy Garland Kevin Barker The...

  19. Oral Contraceptives and Cancer Risk

    MedlinePlus

    ... 3):193-200 [PubMed Abstract] Wentzensen N, Berrington de Gonzalez A. The Pill's gestation: from birth control to cancer prevention. Lancet Oncology 2015; 16(9):1004-6. doi : 10.1016/S1470-2045(15)00211-9 Collaborative Group on Hormonal Factors in Breast Cancer. Breast cancer ...

  20. Incomplete reactions in nanothermite composites

    NASA Astrophysics Data System (ADS)

    Jacob, Rohit J.; Ortiz-Montalvo, Diana L.; Overdeep, Kyle R.; Weihs, Timothy P.; Zachariah, Michael R.

    2017-02-01

    Exothermic reactions between oxophilic metals and transition/post transition metal-oxides have been well documented owing to their fast reaction time scales (≈10 μs). This article examines the extent of the reaction in nano-aluminum based thermite systems through a forensic inspection of the products formed during reaction. Three nanothermite systems (Al/CuO, Al/Bi2O3, and Al/WO3) were selected owing to their diverse combustion characteristics, thereby providing sufficient generality and breadth to the analysis. Microgram quantities of the sample were coated onto a fine platinum wire, which was resistively heated at high heating rates (≈105 K/s) to ignite the sample. The subsequent products were captured/quenched very rapidly (≈500 μs) in order to preserve the chemistry/morphology during initiation and subsequent reaction and were quantitatively analyzed using electron microscopy and focused ion beam cross-sectioning followed by energy dispersive X-ray spectroscopy. Elemental examination of the cross-section of the quenched particles shows that oxygen is predominantly localized in the regions containing aluminum, implying the occurrence of the redox reaction. The Al/CuO system, which has simultaneous gaseous oxygen release and ignition (TIgnition ≈ TOxygen Release), shows a substantially lower oxygen content within the product particles as opposed to Al/Bi2O3 and Al/WO3 thermites, which are postulated to undergo a condensed phase reaction (TIgnition ≪ TOxygen Release). An effective Al:O composition for the interior section was obtained for all the mixtures, with the smaller particles generally showing a higher oxygen content than the larger ones. The observed results were further corroborated with the reaction temperature, obtained using a high-speed spectro-pyrometer, and bomb calorimetry conducted on larger samples (≈15 mg). The results suggest that thermites that produce sufficient amounts of gaseous products generate smaller product particles and

  1. Learning to Predict Chemical Reactions

    PubMed Central

    Kayala, Matthew A.; Azencott, Chloé-Agathe; Chen, Jonathan H.

    2011-01-01

    Being able to predict the course of arbitrary chemical reactions is essential to the theory and applications of organic chemistry. Approaches to the reaction prediction problems can be organized around three poles corresponding to: (1) physical laws; (2) rule-based expert systems; and (3) inductive machine learning. Previous approaches at these poles respectively are not high-throughput, are not generalizable or scalable, or lack sufficient data and structure to be implemented. We propose a new approach to reaction prediction utilizing elements from each pole. Using a physically inspired conceptualization, we describe single mechanistic reactions as interactions between coarse approximations of molecular orbitals (MOs) and use topological and physicochemical attributes as descriptors. Using an existing rule-based system (Reaction Explorer), we derive a restricted chemistry dataset consisting of 1630 full multi-step reactions with 2358 distinct starting materials and intermediates, associated with 2989 productive mechanistic steps and 6.14 million unproductive mechanistic steps. And from machine learning, we pose identifying productive mechanistic steps as a statistical ranking, information retrieval, problem: given a set of reactants and a description of conditions, learn a ranking model over potential filled-to-unfilled MO interactions such that the top ranked mechanistic steps yield the major products. The machine learning implementation follows a two-stage approach, in which we first train atom level reactivity filters to prune 94.00% of non-productive reactions with a 0.01% error rate. Then, we train an ensemble of ranking models on pairs of interacting MOs to learn a relative productivity function over mechanistic steps in a given system. Without the use of explicit transformation patterns, the ensemble perfectly ranks the productive mechanism at the top 89.05% of the time, rising to 99.86% of the time when the top four are considered. Furthermore, the system

  2. Adverse reactions associated with acetylcysteine.

    PubMed

    Sandilands, E A; Bateman, D N

    2009-02-01

    Paracetamol (acetaminophen) is one of the most common agents deliberately ingested in self-poisoning episodes and a leading cause of acute liver failure in the western world. Acetylcysteine is widely acknowledged as the antidote of choice for paracetamol poisoning, but its use is not without risk. Adverse reactions, often leading to treatment delay, are frequently associated with both intravenous and oral acetylcysteine and are a common source of concern among treating physicians. A systematic literature review investigating the incidence, clinical features, and mechanisms of adverse effects associated with acetylcysteine. A variety of adverse reactions to acetylcysteine have been described ranging from nausea to death, most of the latter due to incorrect dosing. The pattern of reactions differs with oral and intravenous dosing, but reported frequency is at least as high with oral as intravenous. The reactions to the intravenous preparation result in similar clinical features to true anaphylaxis, including rash, pruritus, angioedema, bronchospasm, and rarely hypotension, but are caused by nonimmunological mechanisms. The precise nature of this reaction remains unclear. Histamine now seems to be an important mediator of the response, and there is evidence of variability in patient susceptibility, with females, and those with a history of asthma or atopy are particularly susceptible. Quantity of paracetamol ingestion, measured through serum paracetamol concentration, is also important as higher paracetamol concentrations protect patients against anaphylactoid effects. Most anaphylactoid reactions occur at the start of acetylcysteine treatment when concentrations are highest. Acetylcysteine also affects clotting factor activity, and this affects the interpretation of minor disturbances in the International Normalized Ratio in the context of paracetamol overdose. This review discusses the incidence, clinical features, underlying pathophysiological mechanisms, and

  3. Learning to predict chemical reactions.

    PubMed

    Kayala, Matthew A; Azencott, Chloé-Agathe; Chen, Jonathan H; Baldi, Pierre

    2011-09-26

    Being able to predict the course of arbitrary chemical reactions is essential to the theory and applications of organic chemistry. Approaches to the reaction prediction problems can be organized around three poles corresponding to: (1) physical laws; (2) rule-based expert systems; and (3) inductive machine learning. Previous approaches at these poles, respectively, are not high throughput, are not generalizable or scalable, and lack sufficient data and structure to be implemented. We propose a new approach to reaction prediction utilizing elements from each pole. Using a physically inspired conceptualization, we describe single mechanistic reactions as interactions between coarse approximations of molecular orbitals (MOs) and use topological and physicochemical attributes as descriptors. Using an existing rule-based system (Reaction Explorer), we derive a restricted chemistry data set consisting of 1630 full multistep reactions with 2358 distinct starting materials and intermediates, associated with 2989 productive mechanistic steps and 6.14 million unproductive mechanistic steps. And from machine learning, we pose identifying productive mechanistic steps as a statistical ranking, information retrieval problem: given a set of reactants and a description of conditions, learn a ranking model over potential filled-to-unfilled MO interactions such that the top-ranked mechanistic steps yield the major products. The machine learning implementation follows a two-stage approach, in which we first train atom level reactivity filters to prune 94.00% of nonproductive reactions with a 0.01% error rate. Then, we train an ensemble of ranking models on pairs of interacting MOs to learn a relative productivity function over mechanistic steps in a given system. Without the use of explicit transformation patterns, the ensemble perfectly ranks the productive mechanism at the top 89.05% of the time, rising to 99.86% of the time when the top four are considered. Furthermore, the system

  4. How alkyl halide structure affects E2 and SN2 reaction barriers: E2 reactions are as sensitive as SN2 reactions.

    PubMed

    Rablen, Paul R; McLarney, Brett D; Karlow, Brandon J; Schneider, Jean E

    2014-02-07

    High-level electronic structure calculations, including a continuum treatment of solvent, are employed to elucidate and quantify the effects of alkyl halide structure on the barriers of SN2 and E2 reactions. In cases where such comparisons are available, the results of these calculations show close agreement with solution experimental data. Structural factors investigated include α- and β-methylation, adjacency to unsaturated functionality (allyl, benzyl, propargyl, α to carbonyl), ring size, and α-halogenation and cyanation. While the influence of these factors on SN2 reactivity is mostly well-known, the present study attempts to provide a broad comparison of both SN2 and E2 reactivity across many cases using a single methodology, so as to quantify relative reactivity trends. Despite the fact that most organic chemistry textbooks say far more about how structure affects SN2 reactions than about how it affects E2 reactions, the latter are just as sensitive to structural variation as are the former. This sensitivity of E2 reactions to structure is often underappreciated.

  5. On the ambiguity of the reaction rate constants in multivariate curve resolution for reversible first-order reaction systems.

    PubMed

    Schröder, Henning; Sawall, Mathias; Kubis, Christoph; Selent, Detlef; Hess, Dieter; Franke, Robert; Börner, Armin; Neymeyr, Klaus

    2016-07-13

    If for a chemical reaction with a known reaction mechanism the concentration profiles are accessible only for certain species, e.g. only for the main product, then often the reaction rate constants cannot uniquely be determined from the concentration data. This is a well-known fact which includes the so-called slow-fast ambiguity. This work combines the question of unique or non-unique reaction rate constants with factor analytic methods of chemometrics. The idea is to reduce the rotational ambiguity of pure component factorizations by considering only those concentration factors which are possible solutions of the kinetic equations for a properly adapted set of reaction rate constants. The resulting set of reaction rate constants corresponds to those solutions of the rate equations which appear as feasible factors in a pure component factorization. The new analysis of the ambiguity of reaction rate constants extends recent research activities on the Area of Feasible Solutions (AFS). The consistency with a given chemical reaction scheme is shown to be a valuable tool in order to reduce the AFS. The new methods are applied to model and experimental data. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. The intermolecular Pauson-Khand reaction.

    PubMed

    Gibson, Susan E; Mainolfi, Nello

    2005-05-13

    Five membered carbocycles are important building blocks for many biologically active molecules. Moreover, substituted cyclopentenones (e.g. cyclopentenone prostaglandins) exhibit characteristic biological activity. The efficiency and atom economy of the Pauson-Khand reaction render this process potentially one of the most attractive methods for the synthesis of such compounds. Although it was discovered in its intermolecular form, the scope of the intermolecular Pauson-Khand reaction has always been limited by the poor reactivity and selectivity of the alkene component. The past decade, especially the last three years, has seen concerted efforts to broaden the scope of this reaction. In this overview, we provide a comprehensive and critical coverage of the intermolecular Pauson-Khand reaction based on the reactivity characteristics of different classes of alkenes and a rationalization of successes and misfortunes in this area.

  7. Experimental Study of Serpentinization Reactions

    NASA Technical Reports Server (NTRS)

    Cohen, B. A.; Brearley, A. J.; Ganguly, J.; Liermann, H.-P.; Keil, K.

    2004-01-01

    Current carbonaceous chondrite parent-body thermal models [1-3] produce scenarios that are inconsistent with constraints on aqueous alteration conditions based on meteorite mineralogical evidence, such as phase stability relationships within the meteorite matrix minerals [4] and isotope equilibration arguments [5, 6]. This discrepancy arises principally because of the thermal runaway effect produced by silicate hydration reactions (here loosely called serpentinization, as the principal products are serpentine minerals), which are so exothermic as to produce more than enough heat to melt more ice and provide a self-sustaining chain reaction. One possible way to dissipate the heat of reaction is to use a very small parent body [e.g., 2] or possibly a rubble pile model. Another possibility is to release this heat more slowly, which depends on the alteration reaction path and kinetics.

  8. 21 CFR 606.170 - Adverse reaction file.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 7 2010-04-01 2010-04-01 false Adverse reaction file. 606.170 Section 606.170... Adverse reaction file. (a) Records shall be maintained of any reports of complaints of adverse reactions... thorough investigation of each reported adverse reaction shall be made. A written report of the...

  9. Allergic Reactions

    MedlinePlus

    ... is present. Severe Allergic Reactions Anaphylaxis (an-a-fi-LAK-sis) is a serious, life-threatening allergic ... Immunology 555 East Wells Street Suite 1100, Milwaukee , WI 53202-3823 (414) 272-6071 Additional Contact Information ...

  10. Explorations into Chemical Reactions and Biochemical Pathways.

    PubMed

    Gasteiger, Johann

    2016-12-01

    A brief overview of the work in the research group of the present author on extracting knowledge from chemical reaction data is presented. Methods have been developed to calculate physicochemical effects at the reaction site. It is shown that these physicochemical effects can quite favourably be used to derive equations for the calculation of data on gas phase reactions and on reactions in solution such as aqueous acidity of alcohols or carboxylic acids or the hydrolysis of amides. Furthermore, it is shown that these physicochemical effects are quite effective for assigning reactions into reaction classes that correspond to chemical knowledge. Biochemical reactions constitute a particularly interesting and challenging task for increasing our understanding of living species. The BioPath.Database is a rich source of information on biochemical reactions and has been used for a variety of applications of chemical, biological, or medicinal interests. Thus, it was shown that biochemical reactions can be assigned by the physicochemical effects into classes that correspond to the classification of enzymes by the EC numbers. Furthermore, 3D models of reaction intermediates can be used for searching for novel enzyme inhibitors. It was shown in a combined application of chemoinformatics and bioinformatics that essential pathways of diseases can be uncovered. Furthermore, a study showed that bacterial flavor-forming pathways can be discovered. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. AUTOSENSITIZATION REACTION IN VITRO

    PubMed Central

    Koprowski, Hilary; Fernandes, Mario V.

    1962-01-01

    Lymph node cells were obtained from an inbred strain of Lewis rats injected with guinea pig cord tissue in Freund's adjuvant. These cells, when added to tissue culture monolayers of puppy brain, aggregated on or around the glial elements. This reaction, called contactual agglutination, was followed by the specific destruction of glial cells, leaving cultures consisting only of fibroblasts. No such reaction was noted when lymph node cells obtained either from normal rats or those injected with adjuvant alone were used. Absorption of serum obtained from rats injected with guinea pig cord tissue by non-sensitized lymph node cells made them reactive in brain tissue culture. The contactual agglutination test seems to provide an opportunity for investigation of sensitization reaction in tissue culture systems. PMID:14034719

  12. Manuel Gonzalez Prada and Rigoberta Menchu: Measuring "Indigenismo" through Indigenous Thought

    ERIC Educational Resources Information Center

    Ward, Thomas

    2012-01-01

    Much has been written about "indianismo" and "indigenismo" and their literary and social meaning, but rarely have these two "criollo" movements been positioned face to face with actual Indigenous expression. This article attempts a preliminary pass at just such an approach by comparing four indigenous themes…

  13. Activation barriers for series of exothermic homologous reactions. V. Boron group diatomic species reactions

    NASA Astrophysics Data System (ADS)

    Blue, Alan S.; Belyung, David P.; Fontijn, Arthur

    1997-09-01

    Semiempirical configuration interaction (SECI) theory is used to predict activation barriers E, as defined by k(T)=ATn exp(-E/RT). Previously SECI has been applied to homologous series of oxidation reactions of s1, s2, and s2p1 metal atoms. Here it is extended to oxidation reactions of diatomic molecules containing one s2p1 atom. E values are calculated for the reactions of BH, BF, BCl, AlF, AlCl, AlBr, GaF, GaI, InCl, InBr, InI, TlF, TlCl, TlBr, and TlI with O2, CO2, SO2, or N2O. These values correlate with the sums of the ionization potentials and Σ-Π promotion energies of the former minus the electron affinities of the latter. In the earlier work n was chosen somewhat arbitrarily, which affected the absolute values of E. Here it is shown that examination of available experimental and theoretical results allows determination of the best values of n. Using this approach yields n=1.9 for the present series. For the seven reactions which have been studied experimentally, the average deviation of the SECI activation barrier prediction from experiment is 4.0 kJ mol-1. Energy barriers are calculated for another 52 reactions.

  14. Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods

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

    Grambow, Colin A.; Jamal, Adeel; Li, Yi -Pei

    Ketohydroperoxides are important in liquid-phase autoxidation and in gas-phase partial oxidation and pre-ignition chemistry, but because of their low concentration, instability, and various analytical chemistry limitations, it has been challenging to experimentally determine their reactivity, and only a few pathways are known. In the present work, 75 elementary-step unimolecular reactions of the simplest γ-ketohydroperoxide, 3-hydroperoxypropanal, were discovered by a combination of density functional theory with several automated transition-state search algorithms: the Berny algorithm coupled with the freezing string method, single- and double-ended growing string methods, the heuristic KinBot algorithm, and the single-component artificial force induced reaction method (SC-AFIR). The presentmore » joint approach significantly outperforms previous manual and automated transition-state searches – 68 of the reactions of γ-ketohydroperoxide discovered here were previously unknown and completely unexpected. All of the methods found the lowest-energy transition state, which corresponds to the first step of the Korcek mechanism, but each algorithm except for SC-AFIR detected several reactions not found by any of the other methods. We show that the low-barrier chemical reactions involve promising new chemistry that may be relevant in atmospheric and combustion systems. Our study highlights the complexity of chemical space exploration and the advantage of combined application of several approaches. Altogether, the present work demonstrates both the power and the weaknesses of existing fully automated approaches for reaction discovery which suggest possible directions for further method development and assessment in order to enable reliable discovery of all important reactions of any specified reactant(s).« less

  15. Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods

    DOE PAGES

    Grambow, Colin A.; Jamal, Adeel; Li, Yi -Pei; ...

    2017-12-22

    Ketohydroperoxides are important in liquid-phase autoxidation and in gas-phase partial oxidation and pre-ignition chemistry, but because of their low concentration, instability, and various analytical chemistry limitations, it has been challenging to experimentally determine their reactivity, and only a few pathways are known. In the present work, 75 elementary-step unimolecular reactions of the simplest γ-ketohydroperoxide, 3-hydroperoxypropanal, were discovered by a combination of density functional theory with several automated transition-state search algorithms: the Berny algorithm coupled with the freezing string method, single- and double-ended growing string methods, the heuristic KinBot algorithm, and the single-component artificial force induced reaction method (SC-AFIR). The presentmore » joint approach significantly outperforms previous manual and automated transition-state searches – 68 of the reactions of γ-ketohydroperoxide discovered here were previously unknown and completely unexpected. All of the methods found the lowest-energy transition state, which corresponds to the first step of the Korcek mechanism, but each algorithm except for SC-AFIR detected several reactions not found by any of the other methods. We show that the low-barrier chemical reactions involve promising new chemistry that may be relevant in atmospheric and combustion systems. Our study highlights the complexity of chemical space exploration and the advantage of combined application of several approaches. Altogether, the present work demonstrates both the power and the weaknesses of existing fully automated approaches for reaction discovery which suggest possible directions for further method development and assessment in order to enable reliable discovery of all important reactions of any specified reactant(s).« less

  16. Modelling Students' Visualisation of Chemical Reaction

    ERIC Educational Resources Information Center

    Cheng, Maurice M. W.; Gilbert, John K.

    2017-01-01

    This paper proposes a model-based notion of "submicro representations of chemical reactions". Based on three structural models of matter (the simple particle model, the atomic model and the free electron model of metals), we suggest there are two major models of reaction in school chemistry curricula: (a) reactions that are simple…

  17. Catalytic Organometallic Reactions of Ammonia

    PubMed Central

    Klinkenberg, Jessica L.

    2012-01-01

    Until recently, ammonia had rarely succumbed to catalytic transformations with homogeneous catalysts, and the development of such reactions that are selective for the formation of single products under mild conditions has encountered numerous challenges. However, recently developed catalysts have allowed several classes of reactions to create products with nitrogen-containing functional groups from ammonia. These reactions include hydroaminomethylation, reductive amination, alkylation, allylic substitution, hydroamination, and cross-coupling. This Minireview describes examples of these processes and the factors that control catalyst activity and selectivity. PMID:20857466

  18. Enzymes containing porous polymersomes as nano reaction vessels for cascade reactions.

    PubMed

    Kuiper, Suzanne M; Nallani, Madhavan; Vriezema, Dennis M; Cornelissen, Jeroen J L M; van Hest, Jan C M; Nolte, Roeland J M; Rowan, Alan E

    2008-12-07

    Polystyrene(40)-b-poly(isocyanoalanine(2-thiophen-3-yl-ethyl)amide)(50) (PS-PIAT) polymersomes have the unique property of being sufficiently porous to allow diffusion of small (organic) substrates while retaining large biomolecules such as enzymes inside. Herein we report on the encapsulation and protection of glucose oxidase (GOx) and horse radish peroxidase (HRP) in PS-PIAT polymersomes and the successful employment of these functionalised nanoreactors in a cascade reaction. The demonstrated concept allows for further application in other enzymatic cascade reactions, bio-organic hybrid systems and biosensing devices.

  19. Reaction fronts of the autocatalytic hydrogenase reaction

    NASA Astrophysics Data System (ADS)

    Gyevi-Nagy, László; Lantos, Emese; Gehér-Herczegh, Tünde; Tóth, Ágota; Bagyinka, Csaba; Horváth, Dezső

    2018-04-01

    We have built a model to describe the hydrogenase catalyzed, autocatalytic, reversible hydrogen oxidation reaction where one of the enzyme forms is the autocatalyst. The model not only reproduces the experimentally observed front properties, but also explains the found hydrogen ion dependence. Furthermore, by linear stability analysis, two different front types are found in good agreement with the experiments.

  20. 21 CFR 606.170 - Adverse reaction file.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 7 2011-04-01 2010-04-01 true Adverse reaction file. 606.170 Section 606.170 Food... reaction file. (a) Records shall be maintained of any reports of complaints of adverse reactions regarding... investigation of each reported adverse reaction shall be made. A written report of the investigation of adverse...

  1. Molecular modeling of the reaction pathway and hydride transfer reactions of HMG-CoA reductase.

    PubMed

    Haines, Brandon E; Steussy, C Nicklaus; Stauffacher, Cynthia V; Wiest, Olaf

    2012-10-09

    HMG-CoA reductase catalyzes the four-electron reduction of HMG-CoA to mevalonate and is an enzyme of considerable biomedical relevance because of the impact of its statin inhibitors on public health. Although the reaction has been studied extensively using X-ray crystallography, there are surprisingly no computational studies that test the mechanistic hypotheses suggested for this complex reaction. Theozyme and quantum mechanical (QM)/molecular mechanical (MM) calculations up to the B3LYP/6-31g(d,p)//B3LYP/6-311++g(2d,2p) level of theory were employed to generate an atomistic description of the enzymatic reaction process and its energy profile. The models generated here predict that the catalytically important Glu83 is protonated prior to hydride transfer and that it acts as the general acid or base in the reaction. With Glu83 protonated, the activation energies calculated for the sequential hydride transfer reactions, 21.8 and 19.3 kcal/mol, are in qualitative agreement with the experimentally determined rate constant for the entire reaction (1 s(-1) to 1 min(-1)). When Glu83 is not protonated, the first hydride transfer reaction is predicted to be disfavored by >20 kcal/mol, and the activation energy is predicted to be higher by >10 kcal/mol. While not involved in the reaction as an acid or base, Lys267 is critical for stabilization of the transition state in forming an oxyanion hole with the protonated Glu83. Molecular dynamics simulations and MM/Poisson-Boltzmann surface area free energy calculations predict that the enzyme active site stabilizes the hemithioacetal intermediate better than the aldehyde intermediate. This suggests a mechanism in which cofactor exchange occurs before the breakdown of the hemithioacetal. Slowing the conversion to aldehyde would provide the enzyme with a mechanism to protect it from solvent and explain why the free aldehyde is not observed experimentally. Our results support the hypothesis that the pK(a) of an active site acidic

  2. Modelling Chemical Reasoning to Predict and Invent Reactions.

    PubMed

    Segler, Marwin H S; Waller, Mark P

    2017-05-02

    The ability to reason beyond established knowledge allows organic chemists to solve synthetic problems and invent novel transformations. Herein, we propose a model that mimics chemical reasoning, and formalises reaction prediction as finding missing links in a knowledge graph. We have constructed a knowledge graph containing 14.4 million molecules and 8.2 million binary reactions, which represents the bulk of all chemical reactions ever published in the scientific literature. Our model outperforms a rule-based expert system in the reaction prediction task for 180 000 randomly selected binary reactions. The data-driven model generalises even beyond known reaction types, and is thus capable of effectively (re-)discovering novel transformations (even including transition metal-catalysed reactions). Our model enables computers to infer hypotheses about reactivity and reactions by only considering the intrinsic local structure of the graph and because each single reaction prediction is typically achieved in a sub-second time frame, the model can be used as a high-throughput generator of reaction hypotheses for reaction discovery. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Drug Reactions

    MedlinePlus

    Most of the time, medicines make our lives better. They reduce aches and pains, fight infections, and control problems such as high blood pressure or diabetes. But medicines can also cause unwanted reactions. One problem is ...

  4. Parental Reactions to Cleft Palate Children.

    ERIC Educational Resources Information Center

    Vanpoelvoorde, Leah

    This literature review examines parental reactions following the birth of a cleft lip/palate child, focusing primarily on the mother's reactions. The research studies cited have explored such influences on maternal reactions as her feelings of lack of control over external forces and her feelings of guilt that the deformity was her fault. Delays…

  5. Reaction pathways of propene pyrolysis.

    PubMed

    Qu, Yena; Su, Kehe; Wang, Xin; Liu, Yan; Zeng, Qingfeng; Cheng, Laifei; Zhang, Litong

    2010-05-01

    The gas-phase reaction pathways in preparing pyrolytic carbon with propene pyrolysis have been investigated in detail with a total number of 110 transition states and 50 intermediates. The structure of the species was determined with density functional theory at B3PW91/6-311G(d,p) level. The transition states and their linked intermediates were confirmed with frequency and the intrinsic reaction coordinates analyses. The elementary reactions were explored in the pathways of both direct and the radical attacking decompositions. The energy barriers and the reaction energies were determined with accurate model chemistry method at G3(MP2) level after an examination of the nondynamic electronic correlations. The heat capacities and entropies were obtained with statistical thermodynamics. The Gibbs free energies at 298.15 K for all the reaction steps were reported. Those at any temperature can be developed with classical thermodynamics by using the fitted (as a function of temperature) heat capacities. It was found that the most favorable paths are mainly in the radical attacking chain reactions. The chain was proposed with 26 reaction steps including two steps of the initialization of the chain to produce H and CH(3) radicals. For a typical temperature (1200 K) adopted in the experiments, the highest energy barriers were found in the production of C(3) to be 203.4 and 193.7 kJ/mol. The highest energy barriers for the production of C(2) and C were found 174.1 and 181.4 kJ/mol, respectively. These results are comparable with the most recent experimental observation of the apparent activation energy 201.9 +/- 0.6 or 137 +/- 25 kJ/mol. Copyright 2010 Wiley Periodicals, Inc.

  6. Investigating Students' Reasoning about Acid-Base Reactions

    ERIC Educational Resources Information Center

    Cooper, Melanie M.; Kouyoumdjian, Hovig; Underwood, Sonia M.

    2016-01-01

    Acid-base chemistry is central to a wide range of reactions. If students are able to understand how and why acid-base reactions occur, it should provide a basis for reasoning about a host of other reactions. Here, we report the development of a method to characterize student reasoning about acid-base reactions based on their description of…

  7. Method for conducting exothermic reactions

    DOEpatents

    Smith, L. Jr.; Hearn, D.; Jones, E.M. Jr.

    1993-01-05

    A liquid phase process for oligomerization of C[sub 4] and C[sub 5] isoolefins or the etherification thereof with C[sub 1] to C[sub 6] alcohols wherein the reactants are contacted in a reactor with a fixed bed acid cation exchange resin catalyst at an LHSV of 5 to 20, pressure of 0 to 400 psig and temperature of 120 to 300 F. wherein the improvement is the operation of the reactor at a pressure to maintain the reaction mixture at its boiling point whereby at least a portion but less than all of the reaction mixture is vaporized. By operating at the boiling point and allowing a portion of the reaction mixture to vaporize, the exothermic heat of reaction is dissipated by the formation of more boil up and the temperature in the reactor is controlled.

  8. Method for conducting exothermic reactions

    DOEpatents

    Smith, Jr., Lawrence; Hearn, Dennis; Jones, Jr., Edward M.

    1993-01-01

    A liquid phase process for oligomerization of C.sub.4 and C.sub.5 isoolefins or the etherification thereof with C.sub.1 to C.sub.6 alcohols wherein the reactants are contacted in a reactor with a fixed bed acid cation exchange resin catalyst at an LHSV of 5 to 20, pressure of 0 to 400 psig and temperature of 120.degree. to 300.degree. F. wherein the improvement is the operation of the reactor at a pressure to maintain the reaction mixture at its boiling point whereby at least a portion but less than all of the reaction mixture is vaporized. By operating at the boiling point and allowing a portion of the reaction mixture to vaporize, the exothermic heat of reaction is dissipated by the formation of more boil up and the temperature in the reactor is controlled.

  9. Computed potential energy surfaces for chemical reactions

    NASA Technical Reports Server (NTRS)

    Walch, Stephen P.

    1990-01-01

    The objective was to obtain accurate potential energy surfaces (PES's) for a number of reactions which are important in the H/N/O combustion process. The interest in this is centered around the design of the SCRAM jet engine for the National Aerospace Plane (NASP), which was envisioned as an air-breathing hydrogen-burning vehicle capable of reaching velocities as large as Mach 25. Preliminary studies indicated that the supersonic flow in the combustor region of the scram jet engine required accurate reaction rate data for reactions in the H/N/O system, some of which was not readily available from experiment. The most important class of combustion reactions from the standpoint of the NASP project are radical recombinaton reactions, since these reactions result in most of the heat release in the combustion process. Theoretical characterizations of the potential energy surfaces for these reactions are presented and discussed.

  10. Ketene reactions with tertiary amines.

    PubMed

    Allen, Annette D; Andraos, John; Tidwell, Thomas T; Vukovic, Sinisa

    2014-01-17

    Tertiary amines react rapidly and reversibly with arylketenes in acetonitrile forming observable zwitterions, and these undergo amine catalyzed dealkylation forming N,N-disubstituted amides. Reactions of N-methyldialkylamines show a strong preference for methyl group loss by displacement, as predicted by computational studies. Loss of ethyl groups in reactions with triethylamine also occur by displacement, but preferential loss of isopropyl groups in the phenylketene reaction with diisopropylethylamine evidently involves elimination. Quinuclidine rapidly forms long-lived zwitterions with arylketenes, providing a model for catalysis by cinchona and related alkaloids in stereoselective additions to ketenes.

  11. Demonstration of the Fenton Reaction

    ERIC Educational Resources Information Center

    Luehrs, Dean C.; Roher, Alex E.

    2007-01-01

    The study demonstrates the Fenton reaction, which is carried out using the Fenton reagent that is used for groundwater and soil remediation. The Fenton reaction can be implicated in DNA damage, Alzheimer's disease, cardiovascular disease and ageing in general.

  12. The Catalytic Asymmetric Intramolecular Stetter Reaction

    PubMed Central

    de Alaniz, Javier Read; Rovis, Tomislav

    2010-01-01

    This account chronicles our efforts at the development of a catalytic asymmetric Stetter reaction using chiral triazolium salts as small molecule organic catalysts. Advances in the mechanistically related azolium-catalyzed asymmetric benzoin reaction are discussed, particularly as they apply to catalyst design. A chronological treatise of reaction discovery, catalyst optimization and reactivity extension follows. PMID:20585467

  13. Infliximab-Related Infusion Reactions: Systematic Review

    PubMed Central

    Ron, Yulia; Kivity, Shmuel; Ben-Horin, Shomron; Israeli, Eran; Fraser, Gerald M.; Dotan, Iris; Chowers, Yehuda; Confino-Cohen, Ronit; Weiss, Batia

    2015-01-01

    Objective: Administration of infliximab is associated with a well-recognised risk of infusion reactions. Lack of a mechanism-based rationale for their prevention, and absence of adequate and well-controlled studies, has led to the use of diverse empirical administration protocols. The aim of this study is to perform a systematic review of the evidence behind the strategies for preventing infusion reactions to infliximab, and for controlling the reactions once they occur. Methods: We conducted extensive search of electronic databases of MEDLINE [PubMed] for reports that communicate various aspects of infusion reactions to infliximab in IBD patients. Results: We examined full texts of 105 potentially eligible articles. No randomised controlled trials that pre-defined infusion reaction as a primary outcome were found. Three RCTs evaluated infusion reactions as a secondary outcome; another four RCTs included infusion reactions in the safety evaluation analysis; and 62 additional studies focused on various aspects of mechanism/s, risk, primary and secondary preventive measures, and management algorithms. Seven studies were added by a manual search of reference lists of the relevant articles. A total of 76 original studies were included in quantitative analysis of the existing strategies. Conclusions: There is still paucity of systematic and controlled data on the risk, prevention, and management of infusion reactions to infliximab. We present working algorithms based on systematic and extensive review of the available data. More randomised controlled trials are needed in order to investigate the efficacy of the proposed preventive and management algorithms. PMID:26092578

  14. Preventing Corrosion by Controlling Cathodic Reaction Kinetics

    DTIC Science & Technology

    2016-03-25

    electrochemical reaction rates of processes that drive corrosion, e.g. the oxygen reduction reaction (ORR). To this end, we have used reactive...elements on the kinetics of oxygen reduction reaction catalyzed on titanium oxide in order to develop new approaches for controlling galvanic corrosion... consumption of anions in reactions with metal cations can deplete the electrolyte. However, in the atmospheric electrolyte, the electrolyte

  15. Are You Experienced The Case for Acquisition Professional Qualification Standards

    DTIC Science & Technology

    2015-10-01

    1, DAU 236), featuring a cover story on micro machines used in defense systems. The winners for Defense AT&L were managing edi - tor/senior editor of...Gonzalez, copy edi - tor and circulation manager; and Noelia Gamboa, editorial support. Defense AT&L’s sister DAU publication, the Defense Acquisition

  16. 24 CFR 92.453 - Competitive reallocations.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Competitive reallocations. 92.453... Development HOME INVESTMENT PARTNERSHIPS PROGRAM Reallocations § 92.453 Competitive reallocations. (a) HUD... (42 U.S.C. 3545) and the requirements of sec. 217(c) of the Cranston-Gonzalez National Affordable...

  17. 77 FR 41247 - Prevailing Rate Systems; Abolishment of the Washington, DC, Special Wage Schedule for Printing...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-07-13

    ... first day of the first applicable pay period beginning on or after October 21, 2012. ADDRESSES: Send or deliver comments to Jerome D. Mikowicz, Deputy Associate Director for Pay and Leave, Employee Services, U... pay[email protected] ; or Fax: (202) 606-4264. FOR FURTHER INFORMATION CONTACT: Madeline Gonzalez...

  18. Parent Conferences. Beginnings Workshop.

    ERIC Educational Resources Information Center

    Duffy, Roslyn; And Others

    1997-01-01

    Presents six workshop sessions on parent conferences: (1) "Parents' Perspectives on Conferencing" (R. Duffy); (2) "Three Way Conferences" (G. Zeller); (3) "Conferencing with Parents of Infants" (K. Albrecht); (4) "Conferencing with Parents of School-Agers" (L. G. Miller); (5) "Cross Cultural Conferences" (J. Gonzalez-Mena); and (6) "Working with…

  19. Illuminating the Identities of Mathematics Teachers and Mathematics Teacher Educators

    ERIC Educational Resources Information Center

    Johnson, Kate R.

    2013-01-01

    This dissertation builds on research about teacher identities (e.g., Agee, 2004; Sumara & Luce-Kapler, 1996; Ronfeldt & Grossman, 2008), teaching mathematics for social justice (e.g., Felton, 2010; Gutstein, 2006; Skovsmose, 1985; Stinson & Wager, 2012) and learning to teach mathematics for social justice (e.g., Gau, 2005; Gonzalez,…

  20. Building Communities: Teachers Researching Literacy Lives

    ERIC Educational Resources Information Center

    Cremin, Teresa; Mottram, Marilyn; Collins, Fiona; Powell, Sacha; Drury, Rose

    2012-01-01

    In the light of wide recognition that the traffic between home and school is traditionally one-way, this article reports on a deliberately counter-cultural project that involved teachers in researching children's everyday literacy practices and "funds of knowledge" (Gonzalez, Moll, & Amanti, 2005) over a year. Eighteen primary…

  1. C-CARD: A Strategy to Improve Revising Behaviors

    ERIC Educational Resources Information Center

    Saddler, Bruce; Asaro-Saddler, Kristie; Thomas, Job

    2015-01-01

    Students with emotional and behavioral disorders (EBD) often perform well below their peers across academic areas, with lower math and reading scores and higher school failure and grade retention rates (Reid, Gonzalez, Nordness, Trout, & Epstein, 2004). However, writing is the most significant academic deficit for these students (Austinner,…

  2. Hydrogen/Chlorine exchange reactions of gaseous carbanions.

    PubMed

    Chen, Hao; Cooks, R Graham; Meurer, Eduardo C; Eberlin, Marcos N

    2005-12-01

    Gas-phase reactions of three typical carbanions CH(2)NO(2)(-), CH(2)CN(-), and CH(2)S(O)CH(3)(-) with the chloromethanes CH(2)Cl(2), CHCl(3), and CCl(4), examined by tandem mass spectrometry, show a novel hydrogen/chlorine exchange reaction. For example, reaction between the nitromethyl anion CH(2)NO(2)(-) and carbon tetrachloride CCl(4) forms the ion CHClNO(2)(-). The suggested reaction mechanism involves nucleophilic attack by CH(2)NO(2)(-) at the chlorine of CCl(4) followed by proton transfer within the resulting complex [CH(2)ClNO(2) + CCl(3)(-)] to form CHClNO(2)(-) and CHCl(3). Two other carbanions CH(2)CN(-) and CH(2)S(O)CH(3)(-) also undergo the novel hydrogen/chlorine exchange reactions with CCl(4) but to a much smaller extent, their higher nucleophilicities favoring competitive nucleophilic attack reactions. Proton abstraction is the exclusive pathway in the reactions of these carbanions with CHCl(3). While CH(2)CN(-) and CH(2)S(O)CH(3)(-) promote mainly proton abstraction and nucleophilic displacement in reactions with CH(2)Cl(2), CH(2)NO(2)(-) does not react.

  3. The hexadehydro-Diels-Alder reaction.

    PubMed

    Hoye, Thomas R; Baire, Beeraiah; Niu, Dawen; Willoughby, Patrick H; Woods, Brian P

    2012-10-11

    Arynes (aromatic systems containing, formally, a carbon-carbon triple bond) are among the most versatile of all reactive intermediates in organic chemistry. They can be 'trapped' to give products that are used as pharmaceuticals, agrochemicals, dyes, polymers and other fine chemicals. Here we explore a strategy that unites the de novo generation of benzynes-through a hexadehydro-Diels-Alder reaction-with their in situ elaboration into structurally complex benzenoid products. In the hexadehydro-Diels-Alder reaction, a 1,3-diyne is engaged in a [4+2] cycloisomerization with a 'diynophile' to produce the highly reactive benzyne intermediate. The reaction conditions for this simple, thermal transformation are notable for being free of metals and reagents. The subsequent and highly efficient trapping reactions increase the power of the overall process. Finally, we provide examples of how this de novo benzyne generation approach allows new modes of intrinsic reactivity to be revealed.

  4. Vasovagal reactions in 'at risk' donors: a univariate analysis of effect of age and weight on the grade of donor reactions.

    PubMed

    Tondon, Rashmi; Pandey, Prashant; Chaudhary, Rajendra

    2008-10-01

    It is well known that young age, low weight, and first time donation status increase the probability of having a reaction but the effect of these 'risk' factors on the grade of reaction has not been well studied. To evaluate the prevalence of these factors in blood donation setup, to identify 'at risk' donors with age less than 30 years and weight less than 60 kg and to assess whether there is any contributory role of these risk factors in predicting the grade of reaction. A retrospective analysis of 30370 donations was done during 15 month study period. Donor reaction rate of 1.6% was observed in this study of which 7% experienced reaction of moderate and severe grade. Reaction rate among male and female donors were 1.5% and 3.7% respectively. Female gender was found to be an independent predictor for donor reaction even after nullifying the effect of the blood volume drawn. Incidence of vasovagal reaction in 'at risk' donors was 2.0% in contrast to 0.96% in 'general' donor population. Age had a significant affect on reaction rate (p = .035) and all grades of reaction decreased with the age of the donor. Age was found to be a significant predictor of the grade of reaction (p = .008). The effect of weight on the reaction rate as well as on the grade was found to be insignificant (1.5% in 'at risk' donors vs. 1.6% in 'general' donors with p > 0.05). 1. Age is a significant factor that can predict the rate as well as the grade of reaction; 2. Weight does not predict the grade of reaction, 3. Gender is an independent predictor of donor reaction, with females having 2.5 fold higher chances of reaction. These factors are important for blood collection staff to recognize such 'at risk' donors, and to give more attention to them to reduce donor reaction.

  5. Water catalysis and anticatalysis in photochemical reactions: observation of a delayed threshold effect in the reaction quantum yield.

    PubMed

    Kramer, Zeb C; Takahashi, Kaito; Skodje, Rex T

    2010-11-03

    The possible catalysis of photochemical reactions by water molecules is considered. Using theoretical simulations, we investigate the HF-elimination reaction of fluoromethanol in small water clusters initiated by the overtone excitation of the hydroxyl group. The reaction occurs in competition with the process of water evaporation that dissipates the excitation and quenches the reaction. Although the transition state barrier is stabilized by over 20 kcal/mol through hydrogen bonding with water, the quantum yield versus energy shows a pronounced delayed threshold that effectively eliminates the catalytic effect. It is concluded that the quantum chemistry calculations of barrier lowering are not sufficient to infer water catalysis in some photochemical reactions, which instead require dynamical modeling.

  6. Electromagnetic effects on explosive reaction and plasma

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

    Tasker, Douglas G; Whitley, Von H; Mace, Jonathan L

    2010-01-01

    A number of studies have reported that electric fields can have quantifiable effects on the initiation and growth of detonation, yet the mechanisms of these effects are not clear. Candidates include Joule heating of the reaction zone, perturbations to the activation energy for chemical reaction, reduction of the Peierls energy barrier that facilitates dislocation motion, and acceleration of plasma projected from the reaction zone. In this study the possible role of plasma in the initiation and growth of explosive reaction is investigated. The effects of magnetic and electric field effects on reaction growth will be reviewed and recent experiments reported.

  7. Aluminum/water reactions under extreme conditions

    NASA Astrophysics Data System (ADS)

    Hooper, Joseph

    2013-03-01

    We discuss mechanisms that may control the reaction of aluminum and water under extreme conditions. We are particularly interested in the high-temperature, high-strain regime where the native oxide layer is destroyed and fresh aluminum is initially in direct contact with liquid or supercritical water. Disparate experimental data over the years have suggested rapid oxidation of aluminum is possible in such situations, but no coherent picture has emerged as to the basic oxidation mechanism or the physical processes that govern the extent of reaction. We present theoretical and computational analysis of traditional metal/water reaction mechanisms that treat diffusion through a dynamic oxide layer or reaction limited by surface kinetics. Diffusion through a fresh solid oxide layer is shown to be far too slow to have any effect on the millisecond timescale (even at high temperatures). Quantum molecular dynamics simulations of liquid Al and water surface reactions show rapid water decomposition at the interface, catalyzed by adjacent water molecules in a Grotthus-like relay mechanism. The surface reaction barriers are far too low for this to be rate-limiting in any way. With these straightforward mechanisms ruled out, we investigate two more complex possibilities for the rate-limiting factor; first, we explore the possibility that newly formed oxide remains a metastable liquid well below its freezing point, allowing for diffusion-limited reactions through the oxide shell but on a much faster timescale. The extent of reaction would then be controlled by the solidification kinetics of alumina. Second, we discuss preliminary analysis on surface erosion and turbulent mixing, which may play a prominent role during hypervelocity penetration of solid aluminum projectiles into water.

  8. Aligning Metabolic Pathways Exploiting Binary Relation of Reactions.

    PubMed

    Huang, Yiran; Zhong, Cheng; Lin, Hai Xiang; Huang, Jing

    2016-01-01

    Metabolic pathway alignment has been widely used to find one-to-one and/or one-to-many reaction mappings to identify the alternative pathways that have similar functions through different sets of reactions, which has important applications in reconstructing phylogeny and understanding metabolic functions. The existing alignment methods exhaustively search reaction sets, which may become infeasible for large pathways. To address this problem, we present an effective alignment method for accurately extracting reaction mappings between two metabolic pathways. We show that connected relation between reactions can be formalized as binary relation of reactions in metabolic pathways, and the multiplications of zero-one matrices for binary relations of reactions can be accomplished in finite steps. By utilizing the multiplications of zero-one matrices for binary relation of reactions, we efficiently obtain reaction sets in a small number of steps without exhaustive search, and accurately uncover biologically relevant reaction mappings. Furthermore, we introduce a measure of topological similarity of nodes (reactions) by comparing the structural similarity of the k-neighborhood subgraphs of the nodes in aligning metabolic pathways. We employ this similarity metric to improve the accuracy of the alignments. The experimental results on the KEGG database show that when compared with other state-of-the-art methods, in most cases, our method obtains better performance in the node correctness and edge correctness, and the number of the edges of the largest common connected subgraph for one-to-one reaction mappings, and the number of correct one-to-many reaction mappings. Our method is scalable in finding more reaction mappings with better biological relevance in large metabolic pathways.

  9. Transfer reactions induced by lithium ions

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

    Ogloblin, A.A.

    The review deals with nuclear reactions induced by /sup 6/Li and /sup 7/ Li io ns having energies between 10 and 30 MeV. Due to the cluster structure of / sup 6/Li (/sup 6/Li= alpha +d) and /sup 7/Li (/sup 7/Li= alpha +t) and the low bindi ng energy of these nuclei, one of the clustcr is directly transferred in (/ sup 6/Li, d), (/sup 7/Li, t) (/sup 6/Li alpha ) and (/sup 7/Li, alpha ) reactions, i.e., the alpha p article, the deuteron, or the triton is directly transferred. Particular attention is paid to the (/sup 6/Li, d) andmore » (/sup 7/Li, t) reactions, in which the cluster-transfe r mechanism (alpha-particle transfer) appear in ita purest fomn. These reactions can be used to study the alpha- particle or quartet states of light nuclei, which are difficult or impossible to excite in any other way. The present state of the theory of multinucleon transfcr reactions is considered and the application of the theory to thc analysis of reactions induced by lithium atoms is discussed. (auth)« less

  10. Photoneutron reactions in astrophysics

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

    Varlamov, V. V., E-mail: Varlamov@depni.sinp.msu.ru; Ishkhanov, B. S.; Orlin, V. N.

    Among key problems in nuclear astrophysics, that of obtaining deeper insight into the mechanism of synthesis of chemical elements is of paramount importance. The majority of heavy elements existing in nature are produced in stars via radiative neutron capture in so-called s- and r processes, which are, respectively, slow and fast, in relation to competing β{sup −}-decay processes. At the same time, we know 35 neutron-deficient so-called bypassed p-nuclei that lie between {sup 74}Se and {sup 196}Hg and which cannot originate from the aforementioned s- and r-processes. Their production is possible in (γ, n), (γ, p), or (γ, α) photonuclearmore » reactions. In view of this, data on photoneutron reactions play an important role in predicting and describing processes leading to the production of p-nuclei. Interest in determining cross sections for photoneutron reactions in the threshold energy region, which is of particular importance for astrophysics, has grown substantially in recent years. The use of modern sources of quasimonoenergetic photons obtained in processes of inverse Compton laser-radiation scattering on relativistic electronsmakes it possible to reveal rather interesting special features of respective cross sections, manifestations of pygmy E1 and M1 resonances, or the production of nuclei in isomeric states, on one hand, and to revisit the problem of systematic discrepancies between data on reaction cross sections from experiments of different types, on the other hand. Data obtained on the basis of our new experimental-theoretical approach to evaluating cross sections for partial photoneutron reactions are invoked in considering these problems.« less

  11. Typewriting rate as a function of reaction time.

    PubMed

    Hayes, V; Wilson, G D; Schafer, R L

    1977-12-01

    This study was designed to determine the relationship between reaction time and typewriting rate. Subjects were 24 typists ranging in age from 19 to 39 yr. Reaction times (.001 sec) to a light were recorded for each finger and to each alphabetic character and three punctuation marks. Analysis of variance yielded significant differences in reaction time among subjects and fingers. Correlation between typewriting rate and average reaction time to the alphabetic characters and three punctuation marks was --.75. Correlation between typewriting rate and the difference between the reaction time of the hands was --.42. Factors influencing typewriting rate may include reaction time of the fingers, difference between the reaction time of the hands, and reaction time to individual keys on the typewriter. Implications exist for instructional methodology and further research.

  12. Iridium-Catalyzed Hydrogen Transfer Reactions

    NASA Astrophysics Data System (ADS)

    Saidi, Ourida; Williams, Jonathan M. J.

    This chapter describes the application of iridium complexes to catalytic hydrogen transfer reactions. Transfer hydrogenation reactions provide an alternative to direct hydrogenation for the reduction of a range of substrates. A hydrogen donor, typically an alcohol or formic acid, can be used as the source of hydrogen for the reduction of carbonyl compounds, imines, and alkenes. Heteroaromatic compounds and even carbon dioxide have also been reduced by transfer hydrogenation reactions. In the reverse process, the oxidation of alcohols to carbonyl compounds can be achieved by iridium-catalyzed hydrogen transfer reactions, where a ketone or alkene is used as a suitable hydrogen acceptor. The reversible nature of many hydrogen transfer processes has been exploited for the racemization of alcohols, where temporary removal of hydrogen generates an achiral ketone intermediate. In addition, there is a growing body of work where temporary removal of hydrogen provides an opportunity for using alcohols as alkylating agents. In this chemistry, an iridium catalyst "borrows" hydrogen from an alcohol to give an aldehyde or ketone intermediate, which can be transformed into either an imine or alkene under the reaction conditions. Return of the hydrogen from the catalyst provides methodology for the formation of amines or C-C bonds where the only by-product is typically water.

  13. Biomarkers of adverse drug reactions.

    PubMed

    Carr, Daniel F; Pirmohamed, Munir

    2018-02-01

    Adverse drug reactions can be caused by a wide range of therapeutics. Adverse drug reactions affect many bodily organ systems and vary widely in severity. Milder adverse drug reactions often resolve quickly following withdrawal of the casual drug or sometimes after dose reduction. Some adverse drug reactions are severe and lead to significant organ/tissue injury which can be fatal. Adverse drug reactions also represent a financial burden to both healthcare providers and the pharmaceutical industry. Thus, a number of stakeholders would benefit from development of new, robust biomarkers for the prediction, diagnosis, and prognostication of adverse drug reactions. There has been significant recent progress in identifying predictive genomic biomarkers with the potential to be used in clinical settings to reduce the burden of adverse drug reactions. These have included biomarkers that can be used to alter drug dose (for example, Thiopurine methyltransferase (TPMT) and azathioprine dose) and drug choice. The latter have in particular included human leukocyte antigen (HLA) biomarkers which identify susceptibility to immune-mediated injuries to major organs such as skin, liver, and bone marrow from a variety of drugs. This review covers both the current state of the art with regard to genomic adverse drug reaction biomarkers. We also review circulating biomarkers that have the potential to be used for both diagnosis and prognosis, and have the added advantage of providing mechanistic information. In the future, we will not be relying on single biomarkers (genomic/non-genomic), but on multiple biomarker panels, integrated through the application of different omics technologies, which will provide information on predisposition, early diagnosis, prognosis, and mechanisms. Impact statement • Genetic and circulating biomarkers present significant opportunities to personalize patient therapy to minimize the risk of adverse drug reactions. ADRs are a significant heath issue

  14. Standard Gibbs energy of metabolic reactions: II. Glucose-6-phosphatase reaction and ATP hydrolysis.

    PubMed

    Meurer, Florian; Do, Hoang Tam; Sadowski, Gabriele; Held, Christoph

    2017-04-01

    ATP (adenosine triphosphate) is a key reaction for metabolism. Tools from systems biology require standard reaction data in order to predict metabolic pathways accurately. However, literature values for standard Gibbs energy of ATP hydrolysis are highly uncertain and differ strongly from each other. Further, such data usually neglect the activity coefficients of reacting agents, and published data like this is apparent (condition-dependent) data instead of activity-based standard data. In this work a consistent value for the standard Gibbs energy of ATP hydrolysis was determined. The activity coefficients of reacting agents were modeled with electrolyte Perturbed-Chain Statistical Associating Fluid Theory (ePC-SAFT). The Gibbs energy of ATP hydrolysis was calculated by combining the standard Gibbs energies of hexokinase reaction and of glucose-6-phosphate hydrolysis. While the standard Gibbs energy of hexokinase reaction was taken from previous work, standard Gibbs energy of glucose-6-phosphate hydrolysis reaction was determined in this work. For this purpose, reaction equilibrium molalities of reacting agents were measured at pH7 and pH8 at 298.15K at varying initial reacting agent molalities. The corresponding activity coefficients at experimental equilibrium molalities were predicted with ePC-SAFT yielding the Gibbs energy of glucose-6-phosphate hydrolysis of -13.72±0.75kJ·mol -1 . Combined with the value for hexokinase, the standard Gibbs energy of ATP hydrolysis was finally found to be -31.55±1.27kJ·mol -1 . For both, ATP hydrolysis and glucose-6-phosphate hydrolysis, a good agreement with own and literature values were obtained when influences of pH, temperature, and activity coefficients were explicitly taken into account in order to calculate standard Gibbs energy at pH7, 298.15K and standard state. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Method of controlling fusion reaction rates

    DOEpatents

    Kulsrud, Russell M.; Furth, Harold P.; Valeo, Ernest J.; Goldhaber, Maurice

    1988-01-01

    A method of controlling the reaction rates of the fuel atoms in a fusion reactor comprises the step of polarizing the nuclei of the fuel atoms in a particular direction relative to the plasma confining magnetic field. Fusion reaction rates can be increased or decreased, and the direction of emission of the reaction products can be controlled, depending on the choice of polarization direction.

  16. Method of controlling fusion reaction rates

    DOEpatents

    Kulsrud, Russell M.; Furth, Harold P.; Valeo, Ernest J.; Goldhaber, Maurice

    1988-03-01

    A method of controlling the reaction rates of the fuel atoms in a fusion reactor comprises the step of polarizing the nuclei of the fuel atoms in a particular direction relative to the plasma confining magnetic field. Fusion reaction rates can be increased or decreased, and the direction of emission of the reaction products can be controlled, depending on the choice of polarization direction.

  17. Free Radical Reactions in Food.

    ERIC Educational Resources Information Center

    Taub, Irwin A.

    1984-01-01

    Discusses reactions of free radicals that determine the chemistry of many fresh, processed, and stored foods. Focuses on reactions involving ascorbic acid, myoglobin, and palmitate radicals as representative radicals derived from a vitamin, metallo-protein, and saturated lipid. Basic concepts related to free radical structure, formation, and…

  18. Adverse Reactions to Hallucinogenic Drugs.

    ERIC Educational Resources Information Center

    Meyer, Roger E. , Ed.

    This reports a conference of psychologists, psychiatrists, geneticists and others concerned with the biological and psychological effects of lysergic acid diethylamide and other hallucinogenic drugs. Clinical data are presented on adverse drug reactions. The difficulty of determining the causes of adverse reactions is discussed, as are different…

  19. The role of phosphate in a multistep enzymatic reaction: reactions of the substrate and intermediate in pieces.

    PubMed

    Kholodar, Svetlana A; Allen, C Leigh; Gulick, Andrew M; Murkin, Andrew S

    2015-02-25

    Several mechanistically unrelated enzymes utilize the binding energy of their substrate's nonreacting phosphoryl group to accelerate catalysis. Evidence for the involvement of the phosphodianion in transition state formation has come from reactions of the substrate in pieces, in which reaction of a truncated substrate lacking its phosphorylmethyl group is activated by inorganic phosphite. What has remained unknown until now is how the phosphodianion group influences the reaction energetics at different points along the reaction coordinate. 1-Deoxy-D-xylulose-5-phosphate (DXP) reductoisomerase (DXR), which catalyzes the isomerization of DXP to 2-C-methyl-D-erythrose 4-phosphate (MEsP) and subsequent NADPH-dependent reduction, presents a unique opportunity to address this concern. Previously, we have reported the effect of covalently linked phosphate on the energetics of DXP turnover. Through the use of chemically synthesized MEsP and its phosphate-truncated analogue, 2-C-methyl-D-glyceraldehyde, the current study revealed a loss of 6.1 kcal/mol of kinetic barrier stabilization upon truncation, of which 4.4 kcal/mol was regained in the presence of phosphite dianion. The activating effect of phosphite was accompanied by apparent tightening of its interactions within the active site at the intermediate stage of the reaction, suggesting a role of the phosphodianion in disfavoring intermediate release and in modulation of the on-enzyme isomerization equilibrium. The results of kinetic isotope effect and structural studies indicate rate limitation by physical steps when the covalent linkage is severed. These striking differences in the energetics of the natural reaction and the reactions in pieces provide a deeper insight into the contribution of enzyme-phosphodianion interactions to the reaction coordinate.

  20. Surveillance for White-Nose Syndrome in the bat community at El Malpais National Monument, New Mexico, 2011

    USGS Publications Warehouse

    Valdez, Ernest W.

    2012-01-01

    From late winter to summer 2011, the U.S. Geological Survey Arid Lands Field Station conducted mist-netting efforts at El Malpais National Monument and on adjacent lands belonging to Bureau of Land Management and U.S. Forest Service to detect the occurrence of white-nose syndrome or causal fungal agent (Geomyces destructans). During this assessment, 421 bats belonging to 8 species were documented at El Malpais National Monument and adjacent lands. None of these captures showed evidence for the presence of white-nose syndrome or G. destructans, but it is possible that the subtle signs of some infections may not have been observed. Throughout the field efforts, Laguna de Juan Garcia was the only water source located on El Malpais National Monument and was netted on June 20 and 27, July 25, and August 2, 2011. During these dates, a total of 155 bats were captured, belonging to eight species including: Corynorhinus townsendii (Townsend's Big-Eared Bat), Eptesicus fuscus (Big Brown Bat), Lasionycterics noctivagans (Silver-Haired Bat), Myotis ciliolabrum (Small-Footed Myotis), M. evotis (Long-eared myotis), M. thysanodes (Fringed Myotis), M. volans (Long-Legged Myotis), and Tadarida brasiliensis (Brazilian Free-Tailed Bat). Overall, Laguna de Juan Garcia had the greatest number of captures (79 bats) during one night compared to the other sites netted on adjacent lands and had the greatest species diversity of 8 species netted, not including Euderma maculatum (Spotted Bat) that was detected by its audible calls as it flew overhead. Laguna de Juan Garcia is an important site to bats because of its accessibility by all known occurring species, including the less-maneuverable T. brasiliensis that is known to form large colonies in the park. Laguna de Juan Garcia is also important as a more permanent water source during drought conditions in the earlier part of the spring and summer, as observed in 2011.

  1. Binary counting with chemical reactions.

    PubMed

    Kharam, Aleksandra; Jiang, Hua; Riedel, Marc; Parhi, Keshab

    2011-01-01

    This paper describes a scheme for implementing a binary counter with chemical reactions. The value of the counter is encoded by logical values of "0" and "1" that correspond to the absence and presence of specific molecular types, respectively. It is incremented when molecules of a trigger type are injected. Synchronization is achieved with reactions that produce a sustained three-phase oscillation. This oscillation plays a role analogous to a clock signal in digital electronics. Quantities are transferred between molecular types in different phases of the oscillation. Unlike all previous schemes for chemical computation, this scheme is dependent only on coarse rate categories for the reactions ("fast" and "slow"). Given such categories, the computation is exact and independent of the specific reaction rates. Although conceptual for the time being, the methodology has potential applications in domains of synthetic biology such as biochemical sensing and drug delivery. We are exploring DNA-based computation via strand displacement as a possible experimental chassis.

  2. Dudley Herschbach: Chemical Reactions and Molecular Beams

    Science.gov Websites

    elementary reactions such as K + CH3I and K + Br2, where it became possible to correlate reaction dynamics been a pioneer in the measurement and theoretical interpretation of vector properties of reaction

  3. Spontaneous Hedonic Reactions to Social Media Cues.

    PubMed

    van Koningsbruggen, Guido M; Hartmann, Tilo; Eden, Allison; Veling, Harm

    2017-05-01

    Why is it so difficult to resist the desire to use social media? One possibility is that frequent social media users possess strong and spontaneous hedonic reactions to social media cues, which, in turn, makes it difficult to resist social media temptations. In two studies (total N = 200), we investigated less-frequent and frequent social media users' spontaneous hedonic reactions to social media cues using the Affect Misattribution Procedure-an implicit measure of affective reactions. Results demonstrated that frequent social media users showed more favorable affective reactions in response to social media (vs. control) cues, whereas less-frequent social media users' affective reactions did not differ between social media and control cues (Studies 1 and 2). Moreover, the spontaneous hedonic reactions to social media (vs. control) cues were related to self-reported cravings to use social media and partially accounted for the link between social media use and social media cravings (Study 2). These findings suggest that frequent social media users' spontaneous hedonic reactions in response to social media cues might contribute to their difficulties in resisting desires to use social media.

  4. Reactions to abortion and subsequent mental health.

    PubMed

    Fergusson, David M; Horwood, L John; Boden, Joseph M

    2009-11-01

    There has been continued interest in the extent to which women have positive and negative reactions to abortion. To document emotional reactions to abortion, and to examine the links between reactions to abortion and subsequent mental health outcomes. Data were gathered on the pregnancy and mental health history of a birth cohort of over 500 women studied to the age of 30. Abortion was associated with high rates of both positive and negative emotional reactions; however, nearly 90% of respondents believed that the abortion was the right decision. Analyses showed that the number of negative responses to the abortion was associated with increased levels of subsequent mental health disorders (P<0.05). Further analyses suggested that, after adjustment for confounding, those having an abortion and reporting negative reactions had rates of mental health disorders that were approximately 1.4-1.8 times higher than those not having an abortion. Abortion was associated with both positive and negative emotional reactions. The extent of negative emotional reactions appeared to modify the links between abortion and subsequent mental health problems.

  5. Cross-reactivity and masqueraders in seafood reactions.

    PubMed

    Banks, Taylor A; Gada, Satyen M

    2013-01-01

    Confounding variables play a significant role in many adverse seafood reactions and a clear understanding of these factors is important in properly characterizing reactions associated with potential masqueraders and mimics. Although the medical literature is replete with reviews of seafood hypersensitivity and reports of cross-reactive and newly characterized allergens, there has not been a recent effort to provide an updated overview of the several processes that may lead clinicians to draw incorrect conclusions in evaluating reported reactions to seafood. Ranging from seafood intoxications to other nonallergic or complex seafood reactions, these events can easily be misconstrued as representing a seafood IgE-mediated allergy. Among these are the more familiar topics of cross-reactivity and scombroid intoxication, and those with a still evolving understanding such as ciguatera fish poisoning and Anisakis reactions. This article seeks to provide an accessible but comprehensive summary of the relevant information surrounding these confounders in assessing adverse reactions to seafood. Such knowledge may be instrumental in unraveling complex or otherwise unclear presentations and aid clinicians in accurately evaluating and managing patients with reported seafood reactions.

  6. FOREIGN BODY REACTION TO BIOMATERIALS

    PubMed Central

    Anderson, James M.; Rodriguez, Analiz; Chang, David T.

    2008-01-01

    The foreign body reaction composed of macrophages and foreign body giant cells is the end-stage response of the inflammatory and wound healing responses following implantation of a medical device, prosthesis, or biomaterial. A brief, focused overview of events leading to the foreign body reaction is presented. The major focus of this review is on factors that modulate the interaction of macrophages and foreign body giant cells on synthetic surfaces where the chemical, physical, and morphological characteristics of the synthetic surface are considered to play a role in modulating cellular events. These events in the foreign body reaction include protein adsorption, monocyte/macrophage adhesion, macrophage fusion to form foreign body giant cells, consequences of the foreign body response on biomaterials, and cross-talk between macrophages/foreign body giant cells and inflammatory/wound healing cells. Biomaterial surface properties play an important role in modulating the foreign body reaction in the first two to four weeks following implantation of a medical device, even though the foreign body reaction at the tissue/material interface is present for the in vivo lifetime of the medical device. An understanding of the foreign body reaction is important as the foreign body reaction may impact the biocompatibility (safety) of the medical device, prosthesis, or implanted biomaterial and may significantly impact short- and long-term tissue responses with tissue-engineered constructs containing proteins, cells, and other biological components for use in tissue engineering and regenerative medicine. Our perspective has been on the inflammatory and wound healing response to implanted materials, devices, and tissue-engineered constructs. The incorporation of biological components of allogeneic or xenogeneic origin as well as stem cells into tissue-engineered or regenerative approaches opens up a myriad of other challenges. An in depth understanding of how the immune system

  7. Free energy landscape for glucose condensation reactions.

    PubMed

    Liu, Dajiang; Nimlos, Mark R; Johnson, David K; Himmel, Michael E; Qian, Xianghong

    2010-12-16

    Ab initio molecular dynamics and metadynamics simulations were used to determine the free energy surfaces (FES) for the acid catalyzed β-D-glucose condensation reaction. Protonation of C1-OH on the β-D-glucose, breakage of the C1-O1 bond, and the formation of C1 carbocation is the rate-limiting step. The effects of solvent on the reaction were investigated by determining the FES both in the absence and presence of solvent water. It was found that water played a critical role in these reactions. The reaction barrier for the proton-catalyzed glucose condensation reaction is solvent induced because of proton's high affinity for water. During these simulations, β-D-glucose conversion to α-d-glucose process via the C1 carbocation was also observed. The associated free energy change and activation barrier for this reaction were determined.

  8. Interfacing Biocompatible Reactions with Engineered Escherichia coli.

    PubMed

    Wallace, Stephen; Balskus, Emily P

    2017-01-01

    Biocompatible chemistry represents a new way of merging chemical and biological synthesis by interfacing nonenzymatic reactions with metabolic pathways. This approach can enable the production of nonnatural molecules directly from renewable starting materials via microbial fermentation. When developing a new biocompatible reaction certain criteria must be satisfied, i.e., the reaction must be (1) functional in aqueous growth media at ambient temperature and pH, (2) nontoxic to the producing microorganism, and (3) have negligible effects on the targeted metabolic pathway. This chapter provides a detailed outline of two biocompatible reaction procedures (hydrogenation and cyclopropanation), and describes some of the chemical and microbiological experiments and considerations required during biocompatible reaction development.

  9. A characterization of the two-step reaction mechanism of phenol decomposition by a Fenton reaction

    NASA Astrophysics Data System (ADS)

    Valdés, Cristian; Alzate-Morales, Jans; Osorio, Edison; Villaseñor, Jorge; Navarro-Retamal, Carlos

    2015-11-01

    Phenol is one of the worst contaminants at date, and its degradation has been a crucial task over years. Here, the decomposition process of phenol, in a Fenton reaction, is described. Using scavengers, it was observed that decomposition of phenol was mainly influenced by production of hydroxyl radicals. Experimental and theoretical activation energies (Ea) for phenol oxidation intermediates were calculated. According to these Ea, phenol decomposition is a two-step reaction mechanism mediated predominantly by hydroxyl radicals, producing a decomposition yield order given as hydroquinone > catechol > resorcinol. Furthermore, traces of reaction derived acids were detected by HPLC and GS-MS.

  10. Multilayer Network Analysis of Nuclear Reactions

    NASA Astrophysics Data System (ADS)

    Zhu, Liang; Ma, Yu-Gang; Chen, Qu; Han, Ding-Ding

    2016-08-01

    The nuclear reaction network is usually studied via precise calculation of differential equation sets, and much research interest has been focused on the characteristics of nuclides, such as half-life and size limit. In this paper, however, we adopt the methods from both multilayer and reaction networks, and obtain a distinctive view by mapping all the nuclear reactions in JINA REACLIB database into a directed network with 4 layers: neutron, proton, 4He and the remainder. The layer names correspond to reaction types decided by the currency particles consumed. This combined approach reveals that, in the remainder layer, the β-stability has high correlation with node degree difference and overlapping coefficient. Moreover, when reaction rates are considered as node strength, we find that, at lower temperatures, nuclide half-life scales reciprocally with its out-strength. The connection between physical properties and topological characteristics may help to explore the boundary of the nuclide chart.

  11. Reactions of Tributylstannyl Anioniods with Alkyl Bromides.

    DTIC Science & Technology

    1981-09-28

    g (12 mmol) of cesium tert-butoxide was added to the reaction vessel before the addition of n-butyllithium. Alkylation of Tributylstannyl Anionoids...Dry reaction vessels were purged with argon. The desired alkyl halide (1.0 mmol unless noted) and any desired additive were added to the reaction ...OFFICE OF NAVAL RESEARCH Contract N00014-79-C-0584 Task No. NR 053-714 TECHNICAL REPORT No. 2 Reactions of Tributylstannyl Anionoids with Alkyl

  12. Simultaneous determination of main reaction components in the reaction mixture during biodiesel production.

    PubMed

    Sánek, Lubomír; Pecha, Jiří; Kolomazník, Karel

    2013-03-01

    The proposed analytical method allows for simultaneous determination by GC using a programed temperature vaporization injector and a flame ionization detector of the main reaction components (i.e. glycerol, methyl esters, mono-, di-, and triacylglycerols) in the reaction mixture during biodiesel production. The suggested method is convenient for the rapid and simple evaluation of the kinetic data gained during the transesterification reaction and, also partially serves as an indicator of the quality of biodiesel and mainly, as the indicator of the efficiency of the whole production process (i.e. the conversion of triacylglycerols to biodiesel and its time progress). The optimization of chromatographic conditions (e.g. the oven temperature program, injector setting, amount of derivatization reagent, and the derivatization reaction time) was performed. The method has been validated with crude samples of biodiesel made from waste-cooking oils in terms of linearity, precision, accuracy, sensitivity, and limits of detection and quantification. The results confirmed a satisfactory degree of accuracy and repeatability (the mean RSDs were usually below 2%) necessary for the reliable quantitative determination of all components in the considerable concentration range (e.g. 10-1100 μg/mL in case of methyl esters). Compound recoveries ranging from 96 to 104% were obtained. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. 76 FR 59171 - Notice of Opportunity To File Amicus Briefs

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-09-23

    ... suspend an employee based upon the suspension of access to classified information or pending the agency's investigation regarding that access, where the access is a condition of employment. See, e.g., Gonzalez v... decision to suspend an employee's access to classified material. Department of the Navy v. Egan, 484 U.S...

  14. 18. Historic American Buildings Survey PHOTOCOPY OF SKETCH BY FREDERIK ...

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

    18. Historic American Buildings Survey PHOTOCOPY OF SKETCH BY FREDERIK GJESSING USED TO ILLUSTRATE HIS ARTICLE 'OBSERVATIONS ON THE OLDEST HOUSE, ST. AUGUSTINE,' (p.111) IN EVOLUTION OF THE OLDEST HOUSE TALLAHASSEE, FLORIDA: DEPARTMENT FLORIDA STATE UNIVERSITY, 1962 - Gonzalez-Alvarez House, 14 Saint Francis Street, Saint Augustine, St. Johns County, FL

  15. Exploring the Relationship between Racial Identity, Microaggressions, and Academic Outcomes among African American Students in the Classrooms of a Predominantly White Campus

    ERIC Educational Resources Information Center

    Fernandez, Andrea M.

    2014-01-01

    The overt nature of racism in the United States has morphed into an insidious, covert manifestation called racial microaggression (Pierce, Carew, Pierce-Gonzalez, & Wills, 1978; Sue, Capodilupo, et al., 2007). Though not often intentional in nature, these microaggressive behaviors have become pervasive in the lives of people of color (Sue,…

  16. The Manager's Role in Financial Reporting: A Risk Consultant's Perspective

    ERIC Educational Resources Information Center

    Bell, Reginald L.

    2007-01-01

    This article presents an interview with Ray Gonzalez, a risk consultant at Deloitte & Touche LLP, in Houston, Texas, about the financial reporting responsibilities of top, middle, and frontline managers in large and medium-size firms. This interview spotlights the necessity for timely and accurate reporting of financial information relating to…

  17. Independence and Interdependence in Early Childhood Services

    ERIC Educational Resources Information Center

    Whitington, Victoria

    2004-01-01

    It is through culture that children make sense of their worlds (Trevarthen, 1998). Cross- cultural models show that families are likely to primarily foster either independence or interdependence in their children (Gonzalez-Mena, 1997; Greenfield, 1994). Young children are likely to pay the "price of acculturation" when they enter early…

  18. Practicing the Four Seasons of Ethnography Methodology while Searching for Identity in Mexico

    ERIC Educational Resources Information Center

    Pitts, Margaret Jane

    2012-01-01

    This narrative is an account of my field experiences and challenges practicing Gonzalez's (2000) Four Seasons of Ethnography methodology in Mexico City. I describe the complexities and tensions inherent in managing two scientific paradigms: Western scientific logic vs. a more organic ontology. The experiential knowledge produced in this text is…

  19. Jaime Torres Bodet: Centenario de su Natalicio (Jaime Torres Bodet: 100th Anniversary of His Birth).

    ERIC Educational Resources Information Center

    Revista Interamericana de Educacion de Adultos, 2002

    2002-01-01

    Articles in this issue, written in Spanish, focus on the following: the philosophy of Jaime Torres Bodet (humanistic vision of adult education; objectives of public education in Mexico; Mexico and the issue of culture; The Mexican National Museum of History; Enrique Gonzalez Martinez, poet of all hours; Marti, Cuba's champion; educational…

  20. "Greening up" the Suzuki Reaction

    ERIC Educational Resources Information Center

    Aktoudianakis, Evangelos; Chan, Elton; Edward, Amanda R.; Jarosz, Isabel; Lee, Vicki; Mui, Leo; Thatipamala, Sonya S.; Dicks, Andrew P.

    2008-01-01

    This article describes the rapid, green synthesis of a biaryl compound (4-phenylphenol) via a Pd(0)-catalyzed Suzuki cross-coupling reaction in water. Mild reaction conditions and operational simplicity makes this experiment especially amenable to both mid- and upper-level undergraduates. The methodology exposes students to purely aqueous…

  1. New reaction tester accurate within 56 microseconds

    NASA Technical Reports Server (NTRS)

    Brown, H.

    1972-01-01

    Testing device measures simple and disjunctive reaction time of human subject to light stimuli. Tester consists of reaction key, logic card, panel mounted neon indicators, and interconnecting wiring. Device is used for determining reaction times of patients undergoing postoperative neurological therapy.

  2. The Acrosome Reaction: A Historical Perspective.

    PubMed

    Okabe, Masaru

    2016-01-01

    Acrosome reaction is often referred to as acrosomal exocytosis, but it differs significantly from normal exocytosis. While the vesicle membrane initially holding excreting molecules remains on the cell surface during exocytosis, the outer acrosomal membrane and plasma membrane are lost by forming vesicles during acrosome reaction. In this context, the latter process resembles a release of exosome. However, recent experimental data indicate that the most important roles of acrosome reaction lie not in the release of acrosomal contents (or "vesiculated" plasma and outer acrosomal membrane complexes) but rather in changes in sperm membrane. This review describes the mechanism of fertilization vis-a-vis sperm membrane change, with a brief historical overview of the half-century study of acrosome reaction.

  3. Multi-path variational transition state theory for chemical reaction rates of complex polyatomic species: ethanol + OH reactions.

    PubMed

    Zheng, Jingjing; Truhlar, Donald G

    2012-01-01

    Complex molecules often have many structures (conformations) of the reactants and the transition states, and these structures may be connected by coupled-mode torsions and pseudorotations; some but not all structures may have hydrogen bonds in the transition state or reagents. A quantitative theory of the reaction rates of complex molecules must take account of these structures, their coupled-mode nature, their qualitatively different character, and the possibility of merging reaction paths at high temperature. We have recently developed a coupled-mode theory called multi-structural variational transition state theory (MS-VTST) and an extension, called multi-path variational transition state theory (MP-VTST), that includes a treatment of the differences in the multi-dimensional tunneling paths and their contributions to the reaction rate. The MP-VTST method was presented for unimolecular reactions in the original paper and has now been extended to bimolecular reactions. The MS-VTST and MP-VTST formulations of variational transition state theory include multi-faceted configuration-space dividing surfaces to define the variational transition state. They occupy an intermediate position between single-conformation variational transition state theory (VTST), which has been used successfully for small molecules, and ensemble-averaged variational transition state theory (EA-VTST), which has been used successfully for enzyme kinetics. The theories are illustrated and compared here by application to three thermal rate constants for reactions of ethanol with hydroxyl radical--reactions with 4, 6, and 14 saddle points.

  4. Oxygen evolution reaction catalysis

    DOEpatents

    Haber, Joel A.; Jin, Jian; Xiang, Chengxiang; Gregoire, John M.; Jones, Ryan J.; Guevarra, Dan W.; Shinde, Aniketa A.

    2016-09-06

    An Oxygen Evolution Reaction (OER) catalyst includes a metal oxide that includes oxygen, cerium, and one or more second metals. In some instances, the cerium is 10 to 80 molar % of the metals in the metal oxide and/or the catalyst includes two or more second metals. The OER catalyst can be included in or on an electrode. The electrode can be arranged in an oxygen evolution system such that the Oxygen Evolution Reaction occurs at the electrode.

  5. Development of a novel fingerprint for chemical reactions and its application to large-scale reaction classification and similarity.

    PubMed

    Schneider, Nadine; Lowe, Daniel M; Sayle, Roger A; Landrum, Gregory A

    2015-01-26

    Fingerprint methods applied to molecules have proven to be useful for similarity determination and as inputs to machine-learning models. Here, we present the development of a new fingerprint for chemical reactions and validate its usefulness in building machine-learning models and in similarity assessment. Our final fingerprint is constructed as the difference of the atom-pair fingerprints of products and reactants and includes agents via calculated physicochemical properties. We validated the fingerprints on a large data set of reactions text-mined from granted United States patents from the last 40 years that have been classified using a substructure-based expert system. We applied machine learning to build a 50-class predictive model for reaction-type classification that correctly predicts 97% of the reactions in an external test set. Impressive accuracies were also observed when applying the classifier to reactions from an in-house electronic laboratory notebook. The performance of the novel fingerprint for assessing reaction similarity was evaluated by a cluster analysis that recovered 48 out of 50 of the reaction classes with a median F-score of 0.63 for the clusters. The data sets used for training and primary validation as well as all python scripts required to reproduce the analysis are provided in the Supporting Information.

  6. Cross-reactions among hair dye allergens.

    PubMed

    Basketter, David A; English, John

    2009-01-01

    p-Phenylenediamine (PPD) is an important hair dye allergen, but there remains a reasonable suspicion that other hair dye chemicals may also be responsible for a proportion of the clinical burden of hair dye allergy. To assess to what extent presently assessed additional patch test agents contribute to the diagnosis of non-PPD hair dye allergy. A retrospective analysis was conducted of patch test results with hair dye allergens, focusing on the extent to which patients who were positive for allergic reactions to other hair dye allergens also had a concomitant positive reaction to PPD. For the hair dye allergens other than p-toluenediamine (PTD), reactions in the absence of a concomitant positive reaction to PPD were very rare. Positive reactors to PTD were also positive for reactions to PPD in 5 of every 6 cases. Pyrogallol positives often occurred in the absence of a PPD positive, but were never judged to be of clinical relevance. Hair dye chemicals other than PPD may be of importance, but the presently tested materials, with the possible exception of PTD, are normally positive only when a PPD-positive reaction is also present, suggesting that their use in patch testing in hair dye allergy is likely to be of limited value.

  7. Magnetically suspended reaction wheel assembly

    NASA Technical Reports Server (NTRS)

    Stocking, G.

    1984-01-01

    The magnetically suspended reaction wheel assembly (MSRWA) is the product of a development effort funded by the Air Force Materials Laboratory (AFML) at Wright Patterson AFB. The specific objective of the project was to establish the manufacturing processes for samarium cobalt magnets and demonstrate their use in a space application. The development was successful on both counts. The application portion of the program, which involves the magnetically suspended reaction wheel assembly, is emphasized. The requirements for the reaction wheel were based on the bias wheel requirements of the DSP satellite. The tasks included the design, fabrication, and test of the unit to the DSP program qualification requirements.

  8. Magnetically suspended reaction wheel assembly

    NASA Astrophysics Data System (ADS)

    Stocking, G.

    1984-11-01

    The magnetically suspended reaction wheel assembly (MSRWA) is the product of a development effort funded by the Air Force Materials Laboratory (AFML) at Wright Patterson AFB. The specific objective of the project was to establish the manufacturing processes for samarium cobalt magnets and demonstrate their use in a space application. The development was successful on both counts. The application portion of the program, which involves the magnetically suspended reaction wheel assembly, is emphasized. The requirements for the reaction wheel were based on the bias wheel requirements of the DSP satellite. The tasks included the design, fabrication, and test of the unit to the DSP program qualification requirements.

  9. Bioluminescent Reaction by Immobilized Luciferase

    NASA Astrophysics Data System (ADS)

    Tanaka, Ryuta; Takahama, Eriko; Iinuma, Masataka; Ikeda, Takeshi; Kadoya, Yutaka; Kuroda, Akio

    We have investigated an effect of immobilization of luciferase molecules at the optical fiber end on a bioluminescent reaction. The time dependence of measured count rates of emitted photons has been analyzed by fitting with numerical solution of differential equations including the effect of the product-inhibitor and the deactivation of the luciferase. Through the analysis, we have successfully extracted kinetic constants such as, reaction rate, number of active luciferase molecules, etc. Ratio of active molecules to total luciferase molecules in immobilization was one order of magnitude lower than that in solution. The reaction rate of the bioluminescent process was also different from the one of free luciferase in solution.

  10. 'GREENER' CHEMICAL SYNTHESES USING ALTERNATE REACTION CONDITIONS

    EPA Science Inventory

    Microwave (MW) irradiation in conjunction with water as reaction media has proven to be a greener chemical approach for expeditious N-alkylation reactions of amines and hydrazines wherein the reactions under mildly basic conditions afford tertiary amines and double N-alkylation t...

  11. SkyNet: Modular nuclear reaction network library

    NASA Astrophysics Data System (ADS)

    Lippuner, Jonas; Roberts, Luke F.

    2017-10-01

    The general-purpose nuclear reaction network SkyNet evolves the abundances of nuclear species under the influence of nuclear reactions. SkyNet can be used to compute the nucleosynthesis evolution in all astrophysical scenarios where nucleosynthesis occurs. Any list of isotopes can be evolved and SkyNet supports various different types of nuclear reactions. SkyNet is modular, permitting new or existing physics, such as nuclear reactions or equations of state, to be easily added or modified.

  12. A thermal biosensor based on enzyme reaction.

    PubMed

    Zheng, Yi-Hua; Hua, Tse-Chao; Xu, Fei

    2005-01-01

    Application of the thermal biosensor as analytical tool is promising due to advantages as universal, simplicity and quick response. A novel thermal biosensor based on enzyme reaction has been developed. This biosensor is a flow injection analysis system and consists of two channels with enzyme reaction column and reference column. The reference column, which is set for eliminating the unspecific heat, is inactived on special enzyme reaction of the ingredient to be detected. The special enzyme reaction takes places in the enzyme reaction column at a constant temperature realizing by a thermoelectric thermostat. Thermal sensor based on the thermoelectric module containing 127 serial BiTe-thermocouples is used to monitor the temperature difference between two streams from the enzyme reaction column and the reference column. The analytical example for dichlorvos shows that this biosensor can be used as analytical tool in medicine and biology.

  13. Leukocyte Agglomeration Reaction in Diagnosis of Allergy Reactions from Antibiotics,

    DTIC Science & Technology

    tested in a clinic on 80 patients with serious allergic anamnesis . The results of the studies indicate that the leukocyte agglomeration reaction is a highly sensitive immunological indicator of hypersensitivity to antibiotics.

  14. Immediate reactions to iodinated contrast media.

    PubMed

    Morales-Cabeza, Cristina; Roa-Medellín, Dasha; Torrado, Inés; De Barrio, Manuel; Fernández-Álvarez, Carmen; Montes-Aceñero, Juan Francisco; De La Riva, Inmaculada; Prieto-García, Alicia

    2017-12-01

    Immediate hypersensitivity reactions (IHRs) to iodinated contrast media (ICMs) remain a common clinical concern. Positive skin test and basophil activation test results suggest a specific IgE-mediated mechanism in some cases. Skin test and controlled challenge test (CCT) are useful to manage these patients. To study clinical and allergologic features of IHRs to ICMs in a Spanish tertiary hospital during a 7-year period. Demographic and clinical data concerning the reaction were recorded. Patients treated at the Allergy Department of Hospital General Universitario Gregorio Marañón, Madrid, Spain, underwent skin tests. In those with positive results, CCTs with an alternative skin-test-negative ICM was performed. Global reaction rate was calculated and compared for each ICM. A total of 342 reactions occurred in 329 patients. Cutaneous symptoms were the most common (87.7%). A total of 196 patients underwent an allergy workup, 15 (7.6%) of whom had positive skin test results. Reactions were more severe in patients with positive vs negative skin test results (grade 1, 46.7% vs 73.6%; grade 2, 33.3% vs 20.9%; grade 3, 20% vs 5.46%; P < .05). Three patients had cross-reactivity to 3 ICMs, all including ioversol and iomeprol. Six patients allergic to iopamidol tolerated ioversol and 1 tolerated iomeprol. Four patients allergic to ioversol and 1 allergic to iomeprol tolerated iopamidol. The global reaction rate was 0.2%, differing for each ICM (iopamidol, 0.14%; ioversol, 0.2%; and iomeprol, 0.4%; P < .001). Positive skin test results were found in a low percentage of patients in whom skin test-based CCT identified an alternative non-cross-reactive ICM. Low-grade cross-reactivity was found, especially between iopamidol and ioversol. Reactions were more severe in patients with positive skin test results. The reaction rate was greater for iomeprol compared with iopamidol (reaction rate, 2.8%) and ioversol (reaction rate, 2%). This study identified a possible underlying

  15. Novel Reagents for Multi-Component Reactions

    NASA Astrophysics Data System (ADS)

    Wang, Yanguang; Basso, Andrea; Nenajdenko, Valentine G.; Gulevich, Anton V.; Krasavin, Mikhail; Bushkova, Ekaterina; Parchinsky, Vladislav; Banfi, Luca; Basso, Andrea; Cerulli, Valentina; Guanti, Giuseppe; Riva, Renata; Rozentsveig, Igor B.; Rozentsveig, Gulnur N.; Popov, Aleksandr V.; Serykh, Valeriy J.; Levkovskaya, Galina G.; Cao, Song; Shen, Li; Liu, Nianjin; Wu, Jingjing; Li, Lina; Qian, Xuhong; Chen, Xiaopeng; Wang, Hongbo; Feng, Jinwu; Wang, Yanguang; Lu, Ping; Heravi, Majid M.; Sadjadi, Samaheh; Kazemizadeh, Ali Reza; Ramazani, Ali; Kudyakova, Yulia S.; Goryaeva, Marina V.; Burgart, Yanina V.; Saloutin, Victor I.; Mossetti, Riccardo; Pirali, Tracey; Tron, Gian Cesare; Rozhkova, Yulia S.; Mayorova, Olga A.; Shklyaev, Yuriy V.; Zhdanko, Alexander G.; Nenajdenko, Valentine G.; Stryapunina, Olga G.; Plekhanova, Irina V.; Glushkov, Vladimir A.; Shklyaev, Yurii V.

    Ketenimines are a class of versatile and highly reactive intermediates that can participate in a variety of organic reactions, such as nucleophilic additions, radical additions, [2 + 2] and [2 + 4] cycloadditions, and sigmatropic rearrangements. In this presentation, we report on a series of multi-component reactions that involve a ketenimine intermediate. These reactions could furnish diverse heterocyclic compounds, including functionalized iminocoumarin, iminodihydroqunolines, iminothiochromens, pyrrolines, isoquinolines, pyridines, β-lactams, imino-1,2-dihydrocoumarins, and benzimidazoles.

  16. Nucleon transfer reactions with radioactive beams

    NASA Astrophysics Data System (ADS)

    Wimmer, K.

    2018-03-01

    Transfer reactions are a valuable tool to study the single-particle structure of nuclei. At radioactive beam facilities transfer reactions have to be performed in inverse kinematics. This creates a number of experimental challenges, but it also has some advantages over normal kinematics measurements. An overview of the experimental and theoretical methods for transfer reactions, especially with radioactive beams, is presented. Recent experimental results and highlights on shell evolution in exotic nuclei are discussed.

  17. Reaction kinetics of dolomite rim growth

    NASA Astrophysics Data System (ADS)

    Helpa, V.; Rybacki, E.; Abart, R.; Morales, L. F. G.; Rhede, D.; Jeřábek, P.; Dresen, G.

    2014-04-01

    Reaction rims of dolomite (CaMg[CO3]2) were produced by solid-state reactions at the contacts of oriented calcite (CaCO3) and magnesite (MgCO3) single crystals at 400 MPa pressure, 750-850 °C temperature, and 3-146 h annealing time to determine the reaction kinetics. The dolomite reaction rims show two different microstructural domains. Elongated palisades of dolomite grew perpendicular into the MgCO3 interface with length ranging from about 6 to 41 µm. At the same time, a 5-71 µm wide rim of equiaxed granular dolomite grew at the contact with CaCO3. Platinum markers showed that the original interface is located at the boundary between the granular and palisade-forming dolomite. In addition to dolomite, a 12-80 µm thick magnesio-calcite layer formed between the dolomite reaction rims and the calcite single crystals. All reaction products show at least an axiotactic crystallographic relationship with respect to calcite reactant, while full topotaxy to calcite prevails within the granular dolomite and magnesio-calcite. Dolomite grains frequently exhibit growth twins characterized by a rotation of 180° around one of the equivalent axis. From mass balance considerations, it is inferred that the reaction rim of dolomite grew by counter diffusion of MgO and CaO. Assuming an Arrhenius-type temperature dependence, activation energies for diffusion of CaO and MgO are E a (CaO) = 192 ± 54 kJ/mol and E a (MgO) = 198 ± 44 kJ/mol, respectively.

  18. Outbreak of Adverse Reactions Associated with Contaminated Heparin

    PubMed Central

    Blossom, David B.; Kallen, Alexander J.; Patel, Priti R.; Elward, Alexis; Robinson, Luke; Gao, Ganpan; Langer, Robert; Perkins, Kiran M.; Jaeger, Jennifer L.; Kurkjian, Katie M.; Jones, Marilyn; Schillie, Sarah F.; Shehab, Nadine; Ketterer, Daniel; Venkataraman, Ganesh; Kishimoto, Takashi Kei; Shriver, Zachary; McMahon, Ann W.; Austen, K. Frank; Kozlowski, Steven; Srinivasan, Arjun; Turabelidze, George; Gould, Carolyn V.; Arduino, Matthew J.; Sasisekharan, Ram

    2013-01-01

    BACKGROUND In January 2008, the Centers for Disease Control and Prevention began a nationwide investigation of severe adverse reactions that were first detected in a single hemodialysis facility. Preliminary findings suggested that heparin was a possible cause of the reactions. METHODS Information on clinical manifestations and on exposure was collected for patients who had signs and symptoms that were consistent with an allergic-type reaction after November 1, 2007. Twenty-one dialysis facilities that reported reactions and 23 facilities that reported no reactions were included in a case–control study to identify facility-level risk factors. Unopened heparin vials from facilities that reported reactions were tested for contaminants. RESULTS A total of 152 adverse reactions associated with heparin were identified in 113 patients from 13 states from November 19, 2007, through January 31, 2008. The use of heparin manufactured by Baxter Healthcare was the factor most strongly associated with reactions (present in 100.0% of case facilities vs. 4.3% of control facilities, P<0.001). Vials of heparin manufactured by Baxter from facilities that reported reactions contained a contaminant identified as oversulfated chondroitin sulfate (OSCS). Adverse reactions to the OSCS-contaminated heparin were often characterized by hypotension, nausea, and shortness of breath occurring within 30 minutes after administration. Of 130 reactions for which information on the heparin lot was available, 128 (98.5%) occurred in a facility that had OSCS-contaminated heparin on the premises. Of 54 reactions for which the lot number of administered heparin was known, 52 (96.3%) occurred after the administration of OSCS-contaminated heparin. CONCLUSIONS Heparin contaminated with OSCS was epidemiologically linked to adverse reactions in this nationwide outbreak. The reported clinical features of many of the cases further support the conclusion that contamination of heparin with OSCS was the cause

  19. Pressure Dependence of Gas-Phase Reaction Rates

    ERIC Educational Resources Information Center

    De Persis, Stephanie; Dollet, Alain; Teyssandier, Francis

    2004-01-01

    It is presented that only simple concepts, mainly taken from activated-complex or transition-state theory, are required to explain and analytically describe the influence of pressure on gas-phase reaction kinetics. The simplest kind of elementary gas-phase reaction is a unimolecular decomposition reaction.

  20. Metal-catalyzed Decarboxylative Fluoroalkylation Reactions.

    PubMed

    Ambler, Brett R; Yang, Ming-Hsiu; Altman, Ryan A

    2016-12-01

    Metal-catalyzed decarboxylative fluoroalkylation reactions enable the conversion of simple O-based substrates into biologically relevant fluorinated analogs. Herein, we present decarboxylative methods that facilitate the synthesis of trifluoromethyl- and difluoroketone-containing products. We highlight key mechanistic aspects that are critical for efficient catalysis, and that inspired our thinking while developing the reactions.

  1. Effects of a Single Water Molecule on the Reaction Barrier of Interstellar CO2 Formation Reaction.

    PubMed

    Tachikawa, Hiroto; Kawabata, Hiroshi

    2016-08-25

    The mechanism by which CO2 is formed in the interstellar space remains a mystery. The most likely reaction is collision between CO and OH; however, previous theoretical works have shown that the activation barrier for CO2 formation is high enough to prevent the reaction at the low thermal conditions of space (∼10 K). The effects of single water molecule on the reaction barrier of CO2 formation from reaction between CO and OH have been investigated here by means of ab initio calculation. The barrier height along the lowest-energy pathway in the reaction between CO and OH in the absence of the H2O molecule was calculated to be 2.3 kcal/mol when CCSD(T) energy corrections are combined with the MP2 basis set limit. In the case of the hydrated (H2O-CO-OH) system, the inclusion of a single H2O molecule into the system significantly decreased the barrier height to 0.2 kcal/mol. This suggests that CO2 can be formed when CO and OH react in the presence of H2O, even under thermal conditions as low as 10 K.

  2. Precipitating cross-reactions among pneumococcal types.

    PubMed Central

    Heidelberger, M

    1983-01-01

    Data accumulated over many years are brought together on cross-reactions of 46 among the more than 80 pneumococcal serological types, with the idea of correlating cross-reactions with the structures of the relevant type-specific capsular polysaccharides, insofar as these have been determined. The precipitin reaction was carried out with the polysaccharides and antibodies raised in horses, rabbits, and a mule. Quantitative values (micrograms of antibody nitrogen per milliliter of antiserum at 0 to 1 degree C) are given in many instances and discussed, together with arbitrary qualitative data, in terms of the known structures of the polysaccharides. Some precise relationships are uncovered, and an attempt is made to determine why some of the cross-reactions are reciprocal and why others are only unilateral. PMID:6885161

  3. Studying Reaction Intermediates Formed at Graphenic Surfaces

    NASA Astrophysics Data System (ADS)

    Sarkar, Depanjan; Sen Gupta, Soujit; Narayanan, Rahul; Pradeep, Thalappil

    2014-03-01

    We report in-situ production and detection of intermediates at graphenic surfaces, especially during alcohol oxidation. Alcohol oxidation to acid occurs on graphene oxide-coated paper surface, driven by an electrical potential, in a paper spray mass spectrometry experiment. As paper spray ionization is a fast process and the time scale matches with the reaction time scale, we were able to detect the intermediate, acetal. This is the first observation of acetal formed in surface oxidation. The process is not limited to alcohols and the reaction has been extended to aldehydes, amines, phosphenes, sugars, etc., where reaction products were detected instantaneously. By combining surface reactions with ambient ionization and mass spectrometry, we show that new insights into chemical reactions become feasible. We suggest that several other chemical transformations may be studied this way. This work opens up a new pathway for different industrially and energetically important reactions using different metal catalysts and modified substrate.

  4. Reaction of atomic hydrogen with formic acid.

    PubMed

    Cao, Qian; Berski, Slawomir; Latajka, Zdzislaw; Räsänen, Markku; Khriachtchev, Leonid

    2014-04-07

    We study the reaction of atomic hydrogen with formic acid and characterize the radical products using IR spectroscopy in a Kr matrix and quantum chemical calculations. The reaction first leads to the formation of an intermediate radical trans-H2COOH, which converts to the more stable radical trans-cis-HC(OH)2via hydrogen atom tunneling on a timescale of hours at 4.3 K. These open-shell species are observed for the first time as well as a reaction between atomic hydrogen and formic acid. The structural assignment is aided by extensive deuteration experiments and ab initio calculations at the UMP2 and UCCSD(T) levels of theory. The simplest geminal diol radical trans-cis-HC(OH)2 identified in the present work as the final product of the reaction should be very reactive, and further reaction channels are of particular interest. These reactions and species may constitute new channels for the initiation and propagation of more complex organic species in the interstellar clouds.

  5. Committor of elementary reactions on multistate systems

    NASA Astrophysics Data System (ADS)

    Király, Péter; Kiss, Dóra Judit; Tóth, Gergely

    2018-04-01

    In our study, we extend the committor concept on multi-minima systems, where more than one reaction may proceed, but the feasible data evaluation needs the projection onto partial reactions. The elementary reaction committor and the corresponding probability density of the reactive trajectories are defined and calculated on a three-hole two-dimensional model system explored by single-particle Langevin dynamics. We propose a method to visualize more elementary reaction committor functions or probability densities of reactive trajectories on a single plot that helps to identify the most important reaction channels and the nonreactive domains simultaneously. We suggest a weighting for the energy-committor plots that correctly shows the limits of both the minimal energy path and the average energy concepts. The methods also performed well on the analysis of molecular dynamics trajectories of 2-chlorobutane, where an elementary reaction committor, the probability densities, the potential energy/committor, and the free-energy/committor curves are presented.

  6. Fluorescence Correlation Spectroscopy and Nonlinear Stochastic Reaction-Diffusion

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

    Del Razo, Mauricio; Pan, Wenxiao; Qian, Hong

    2014-05-30

    The currently existing theory of fluorescence correlation spectroscopy (FCS) is based on the linear fluctuation theory originally developed by Einstein, Onsager, Lax, and others as a phenomenological approach to equilibrium fluctuations in bulk solutions. For mesoscopic reaction-diffusion systems with nonlinear chemical reactions among a small number of molecules, a situation often encountered in single-cell biochemistry, it is expected that FCS time correlation functions of a reaction-diffusion system can deviate from the classic results of Elson and Magde [Biopolymers (1974) 13:1-27]. We first discuss this nonlinear effect for reaction systems without diffusion. For nonlinear stochastic reaction-diffusion systems there are no closedmore » solutions; therefore, stochastic Monte-Carlo simulations are carried out. We show that the deviation is small for a simple bimolecular reaction; the most significant deviations occur when the number of molecules is small and of the same order. Extending Delbrück-Gillespie’s theory for stochastic nonlinear reactions with rapidly stirring to reaction-diffusion systems provides a mesoscopic model for chemical and biochemical reactions at nanometric and mesoscopic level such as a single biological cell.« less

  7. Reaction chemistry in rechargeable Li-O2 batteries.

    PubMed

    Lim, Hee-Dae; Lee, Byungju; Bae, Youngjoon; Park, Hyeokjun; Ko, Youngmin; Kim, Haegyeom; Kim, Jinsoo; Kang, Kisuk

    2017-05-22

    The seemingly simple reaction of Li-O 2 batteries involving lithium and oxygen makes this chemistry attractive for high-energy-density storage systems; however, achieving this reaction in practical rechargeable Li-O 2 batteries has proven difficult. The reaction paths leading to the final Li 2 O 2 discharge products can be greatly affected by the operating conditions or environment, which often results in major side reactions. Recent research findings have begun to reveal how the reaction paths may be affected by the surrounding conditions and to uncover the factors contributing to the difficulty in achieving the reactions of lithium and oxygen. This progress report describes the current state of understanding of the electrode reaction mechanisms in Li-O 2 batteries; the factors that affect reaction pathways; and the effect of cell components such as solvents, salts, additives, and catalysts on the discharge product and its decomposition during charging. This comprehensive review of the recent progress in understanding the reaction chemistry of the Li-O 2 system will serve as guidelines for future research and aid in the development of reliable high-energy-density rechargeable Li-O 2 batteries.

  8. Evaluated Cross Sections of Photoneutron Reactions on the Isotope 116Sn and Spectra of Neutrons Originating from These Reactions

    NASA Astrophysics Data System (ADS)

    Varlamov, V. V.; Ishkhanov, B. S.; Orlin, V. N.

    2017-11-01

    With the aid of the results obtained by evaluating cross sections of partial photoneutron reactions on the isotope 116Sn and the energy spectra of neutrons originating from these reactions, the possible reasons for the well-known discrepancies between the results of different photonuclear experiments were studied on the basis of a combinedmodel of photonuclear reactions. On the basis of physical criteria of data reliability and an experimental-theoretical method for evaluating cross sections of partial reactions, it was found that these discrepancies were due to unreliably redistributing neutrons between ( γ, 1 n), ( γ, 2 n), and ( γ, 3 n) reactions because of nontrivial correlations between the experimentally measured energy of neutrons and their multiplicity.

  9. Allergic reactions to insect secretions.

    PubMed

    Pecquet, Catherine

    2013-01-01

    Some products derived from insects can induce allergic reactions. The main characteristics of some products from honeybees, cochineal and silkworms are summarised here. We review allergic reactions from honey-derived products (propolis, wax, royal jelly), from cochineal products (shellac and carmine) and from silk : clinical features, allergological investigations and allergens if they are known.

  10. The Variance Reaction Time Model

    ERIC Educational Resources Information Center

    Sikstrom, Sverker

    2004-01-01

    The variance reaction time model (VRTM) is proposed to account for various recognition data on reaction time, the mirror effect, receiver-operating-characteristic (ROC) curves, etc. The model is based on simple and plausible assumptions within a neural network: VRTM is a two layer neural network where one layer represents items and one layer…

  11. Hipersensitivity Reactions to Corticosteroids.

    PubMed

    Berbegal, L; DeLeon, F J; Silvestre, J F

    2016-03-01

    Corticosteroids are widely used drugs in the clinical practice, especially by topic application in dermatology. These substances may act as allergens and produce immediate and delayed hypersensitivity reactions. Allergic contact dermatitis is the most frequent presentation of corticosteroid allergy and it should be studied by patch testing in specific units. The corticosteroids included in the Spanish standard battery are good markers but not ideal. Therefore, if those makers are positive, it is useful to apply a specific battery of corticosteroids and the drugs provided by patients. Immediate reactions are relatively rare but potentially severe, and it is important to confirm the sensitization profile and to guide the use of alternative corticosteroids, because they are often necessary in several diseases. In this article we review the main concepts regarding these two types of hypersensitivity reactions in corticosteroid allergy, as well as their approach in the clinical practice. Copyright © 2015 Elsevier España, S.L.U. and AEDV. All rights reserved.

  12. Investigating Reaction-Driven Cracking

    NASA Astrophysics Data System (ADS)

    Kelemen, P. B.; Hirth, G.; Savage, H. M.

    2013-12-01

    Many metamorphic reactions lead to large volume changes, and potentially to reaction-driven cracking [1,2]. Large-scale hydration of mantle peridotite to produce serpentine or talc is invoked to explain the rheology of plate boundaries, the nature of earthquakes, and the seismic properties of slow-spread ocean crust and the 'mantle wedge' above subduction zones. Carbonation of peridotite may be an important sink in the global carbon cycle. Zones of 100% magnesite + quartz replacing peridotite, up to 200 m thick, formed where oceanic mantle was thrust over carbonate-bearing metasediments in Oman. Talc + carbonate is an important component of the matrix in subduction mélanges at Santa Catalina Island , California, and the Sanbagawa metamorphic belt, Japan. Engineered systems to emulate natural mineral carbonation could provide relatively inexpensive CO2 capture and storage [3]. More generally, engineered reaction-driven cracking could supplement or replace hydraulic fracture in geothermal systems, solution mining, and extraction of tight oil and gas. The controls on reaction-driven cracking are poorly understood. Hydration and carbonation reactions can be self-limiting, since they potentially reduce permeability and armor reactive surfaces [4]. Also, in some cases, hydration or carbonation may take place at constant volume. Small changes in volume due to precipitation of solid products increases stress, destabilizing solid reactants, until precipitation and dissolution rates become equal at a steady state stress [5]. In a third case, volume change due to precipitation of solid products causes brittle failure. This has been invoked on qualitative grounds to explain, e.g., complete serpentinization of mantle peridotite [6]. Below ~ 300°C, the available potential energy for hydration and carbonation of olivine could produce stresses of 100's of MPa [2], sufficient to fracture rocks to 10 km depth or more, causing brittle failure below the steady state stress required

  13. Chemical reactions confined within carbon nanotubes.

    PubMed

    Miners, Scott A; Rance, Graham A; Khlobystov, Andrei N

    2016-08-22

    In this critical review, we survey the wide range of chemical reactions that have been confined within carbon nanotubes, particularly emphasising how the pairwise interactions between the catalysts, reactants, transition states and products of a particular molecular transformation with the host nanotube can be used to control the yields and distributions of products of chemical reactions. We demonstrate that nanoscale confinement within carbon nanotubes enables the control of catalyst activity, morphology and stability, influences the local concentration of reactants and products thus affecting equilibria, rates and selectivity, pre-arranges the reactants for desired reactions and alters the relative stability of isomeric products. We critically evaluate the relative advantages and disadvantages of the confinement of chemical reactions inside carbon nanotubes from a chemical perspective and describe how further developments in the controlled synthesis of carbon nanotubes and the incorporation of multifunctionality are essential for the development of this ever-expanding field, ultimately leading to the effective control of the pathways of chemical reactions through the rational design of multi-functional carbon nanoreactors.

  14. Large local reactions to insect envenomation.

    PubMed

    Carlson, John; Golden, David B K

    2016-08-01

    Insect stings often induce large local reactions (LLRs) that result in morbidity. These reactions do have an immunologic basis; however, patients presenting with LLRs should be managed differently than those with systemic allergic reactions, as described in this review. Morbidity results from the inflammation itself along with the iatrogenic consequences of treatment. The prescription of antihistamine medications and the use of antibiotics are generally not indicated for patients with LLRs because of the risks/side-effects of these medications and the low probability of benefit. Some patients are also concerned over the possibility that a future sting will evolve into a life-threatening reaction. Although these reactions do involve IgE, patients are not at sufficient risk to warrant prescription of autoinjectable epinephrine. Venom-specific immunotherapy can be considered when LLRs are frequent and associated with significant impairment. Clinicians can reduce morbidity from LLRs by reassuring the patients, avoiding medications that result in side-effects when they are not indicated, and referring to an allergist when there are additional concerns, such as frequent impairment.

  15. Ion-molecule reactions relevant to Titan's ionosphere.

    NASA Astrophysics Data System (ADS)

    McEwan, M. J.; Scott, G. B. I.; Anicich, V. G.

    1998-02-01

    Twenty four new ion-molecule reactions are presented for inclusion in the modeling of the ionosphere of Saturn's satellite Titan. Sixteen reactions were re-examined to reduce uncertainties in the previous literature results. In this study the authors have examined the reactions of N+ and N2+ with CH4, C2H2, C2H4, C2H6, HCN, CH2CHCN and HC3N; the reaction of N+ with CH3CN; the reactions of C3H5+ with CH4, C2H2 C2H4, C2H6, H2, HCN, HC3N and CH2CHCN; the reactions of C2N2+ with C2H2; C2H2+ and C2N2; C2H4 with C2H3+, C2H4+, CHCCNH+, and HC5N+; HCNH+ with C2H6; C3H6+ with C3H6; HCN with C2H6+, C3H6+, c-C3H6+, C2N2+ and NO+; N2 with C2H2+ and C2H5+; C2H4+ and HC3N. The ions selected for this study were derived either from nitrogen, appropriate hydrocarbons or nitriles. The reactant neutrals were selected on the basis of their known presence in Titan's atmosphere. The reaction products are consistent with the expected increase in ion size through ion-molecule reaction processing. Data are also presented for the reactions of 23 ions with molecular nitrogen. Almost all of these ions are unreactive with N2.

  16. Joseph Tofte Bruns: Wrestling with Big Ideas

    ERIC Educational Resources Information Center

    Cosier, Kimberly

    2010-01-01

    Joe Bruns is currently a student in the Post-Baccalaureate Teacher Certification Program at the University of Wisconsin-Milwaukee. The series of work featured in this interview centers on the idea of relationships. Joe explores collective and implicated relationship to the work of Felix Gonzalez-Torres through the reuse of paper taken from…

  17. Refuting Data Aggregation Arguments and How the Instance-Based Learning Model Stands Criticism: A Reply to Hills and Hertwig (2012)

    ERIC Educational Resources Information Center

    Gonzalez, Cleotilde; Dutt, Varun

    2012-01-01

    Hills and Hertwig (2012) challenge the proposed similarity of the exploration-exploitation transitions found in Gonzalez and Dutt (2011) between the 2 experimental paradigms of decisions from experience (sampling and repeated-choice), which was predicted by an instance-based learning (IBL) model. The heart of their argument is that in the sampling…

  18. Are U.S. Elementary School Reading Textbooks Sex Stereotyped?

    ERIC Educational Resources Information Center

    Gonzalez-Suarez, Mirta; Ekstrom, Ruth B.

    Seven representative elementary school textbooks used in the United States were examined, as part of an international study of sex-stereotyping in textbooks, to determine whether the depiction of males and females was qualitatively and quantitatively sex-equitable. The analysis used a gender models checklist developed by M. Gonzalez-Suarez (1986)…

  19. The Wallow Style of Leadership

    ERIC Educational Resources Information Center

    Reeves, Thomas C.

    2003-01-01

    It was important, in selecting a new chancellor for Damp Valley State, to find someone to preserve and cultivate the university's reputation as a fourth-rate backwater. Founder Throckmorton P. Wallow would have been pleased with the choice, by a painfully diverse and politically correct search committee, of Estralita Gonzalez, who had formerly…

  20. Case-Based Policy and Goal Recognition

    DTIC Science & Technology

    2015-09-30

    or noisy. Ontanón et al. [8] use case-based reasoning (CBR) to model human driving vehicle control behaviors and skill level to reduce teen crash...Snodgrass, S., Bonfiglio, D., Winston, F.K., McDonald, C., Gonzalez, A.J.: Case-based prediction of teen driver behavior and skill. In: Pro- ceedings

  1. Foreign Language Methodology Conference Workshop Reports, 1976.

    ERIC Educational Resources Information Center

    Carranza, Jose M., Ed.; Whitmer, Robert L., Ed.

    This collection resulting from a workshop on language teaching methodology contains the following papers: (1) "The Role of Culture in Foreign Language Learning," by N. Brooks; (2) "Guidelines and Ideas to Boost the Enrollment in Foreign Language Courses," by L.F. Gonzalez-Cruz; "Cooking in the Classroom," by K. Boykin; (4) "Performance Based…

  2. Professional Development in Person: Identity and the Construction of Teaching within a High School Science Department

    ERIC Educational Resources Information Center

    Deneroff, Victoria

    2016-01-01

    This is a narrative inquiry into the role of professional development in the construction of teaching practice by an exemplary urban high school science teacher. I collected data during 3 years of ethnographic participant observation in Marie Gonzalez's classroom. Marie told stories about her experiences in ten years of professional development…

  3. The Psychology of Working: A New Framework for Counseling Practice and Public Policy

    ERIC Educational Resources Information Center

    Blustein, David L.; Kenna, Alexandra C.; Gill, Nadia; DeVoy, Julia E.

    2008-01-01

    The authors present the "psychology-of-working perspective" (D. L. Blustein, 2006; N. Peterson & R. C. Gonzalez, 2005; M. S. Richardson, 1993) as an alternative to traditional career development theories, which have primarily explored the lives of those with choice and volition in their working lives. The major historical and conceptual features…

  4. Low Energy Nuclear Reactions: 2007 Update

    NASA Astrophysics Data System (ADS)

    Krivit, Steven B.

    2007-03-01

    This paper presents an overview of low energy nuclear reactions, a subset of the field of condensed matter nuclear science. Condensed matter nuclear science studies nuclear effects in and/or on condensed matter, including low energy nuclear reactions, an entirely new branch of science that gained widespread attention and notoriety beginning in 1989 with the announcement of a previously unrecognized source of energy by Martin Fleischmann and Stanley Pons that came to be known as cold fusion. Two branches of LENR are recognized. The first includes a set of reactions like those observed by Fleischmann and Pons that use palladium and deuterium and yield excess heat and helium-4. Numerous mechanisms have been proposed to explain these reactions, however there is no consensus for, or general acceptance of, any of the theories. The claim of fusion is still considered speculative and, as such, is not an ideal term for this work. The other branch is a wide assortment of nuclear reactions that may occur with either hydrogen or deuterium. Anomalous nuclear transmutations are reported that involve light as well as heavy elements. The significant questions that face this field of research are: 1) Are LENRs a genuine nuclear reaction? 2) If so, is there a release of excess energy? 3) If there is, is the energy release cost-effective?

  5. Reaction cycle and thermodynamics in bacteriorhodopsin

    NASA Technical Reports Server (NTRS)

    Lanyi, J. K.

    1992-01-01

    Light causes the all-trans to 13-cis isomerization of the retinal in bacteriorhodopsin; the thermal relaxation leading back to the initial state drives proton transport first via proton transfer between the retinal Schiff base and D85 and then between the Schiff base and D96. The reaction sequence and thermodynamics of this photocycle are described by measuring time-resolved absorption changes with a gated multichannel analyzer between 100 ns and 100 ms, at six temperatures between 5 degrees C and 30 degrees C. Analysis of the energetics of the chromophore reaction sequence is on the basis of a recently proposed model (Varo & Lanyi, Biochemistry 30, 5016-5022, 1991) which consists of a single cycle and many reversible reactions: BR -hv-->K<==>L<==>M1-->M2<==>N<==>O-->BR. The existence of the M1-->M2 reaction, which functions as the switch in the proton transfer, is confirmed by spectroscopic evidence. The calculated thermodynamic parameters indicate that the exchange of free energy between the protein and the protons is at the switch step. Further, a large entropy decrease at this reaction suggests a protein conformation change which will conserve delta G for driving the completion of the reaction cycle. The results provide insights to mechanism and energy coupling in this system, with possible relevance to the general question of how ion pumps function.

  6. Computerized approaches to enhance understanding of organic reaction mechanisms: CAN reaction mechanisms and CPLEX prelaboratory methodology

    NASA Astrophysics Data System (ADS)

    Al-Shammari, Abdulrahman G. Alhamzani

    2008-10-01

    Two approaches to enhance the understanding of organic reaction mechanisms are described. First, a new method for teaching organic reaction mechanisms that can be used in a Computer-Assisted Instruction (CAI) environment is proposed and tested (Chapter 1). The method concentrates upon the important intermediate structures, which are assumed to be on the reaction coordinate, and which can be evaluated and graded by currently available computer techniques. At the same time, the "curved arrows" that show the electron flow in a reaction mechanism are neglected, since they cannot be evaluated and graded with currently available computer techniques. By allowing student practice for learning organic reaction mechanisms using the Curved Arrow Neglect (CAN) method within a "Practice Makes Perfect" CAI method, student performance in the drawing of traditional reaction mechanisms, in which students had to include the "curved arrows" on their written classroom exams, was significantly enhanced. Second, computerized prelaboratory experiments (CPLEX) for organic chemistry laboratory 1 & 2 courses have been created, used, and evaluated (Chapters 2 and 3). These computerized prelabs are unique because they combine both "dry lab" actions with detailed animations of the actual chemistry occurring at the molecular level. The "dry lab" serves to simulate the actual physical manipulations of equipment and chemicals that occur in the laboratory experiment through the use of drag-and-drop computer technology. At the same time, these physical actions are accompanied on a separate part of the computer screen by animations showing the chemistry at the molecular level that is occurring in the experiment. These CPLEX modules were made into Internet accessible modules. The students were allowed to access the CPLEX modules prior to performing the actual laboratory experiment. A detailed evaluation of students' perception of the modules was accomplished via survey methodology during the entire

  7. (Reaction mechanism studies of heavy ion induced nuclear reactions): Annual progress report

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

    Mignerey, A.C.

    1988-10-01

    A major experiment was performed at the Oak Ridge National Laboratory Holifield Heavy Ion Research Facility in January 1988. The primary goal of the experiment was to determine the excitation energy division in the initial stages of damped reactions. The reaction of /sup 35/Cl on /sup 209/Bi was chosen because the excited projectile-like fragments would preferentially emit light charged particles and the target-like fragments deexcite via neutron emission. This provides a means by which projectile excitations can be selected over target excitations through detection of light charged particles in coincidence with projectile-like fragments. Two experiments were performed during the pastmore » year at the Lawrence Berkeley Laboratory Bevalac in collaboration with the Wozniak-Moretto group. The first was in February 1988 and was a continuation of earlier work on La-induced reactions at intermediate energies. Beams of La with E/A = 80 and 100 MeV were used to bombard targets of C, Al, and Cu. At this time a test run was also performed using the uranium beam to see if the intensity was sufficient to use this very heavy beam for future experiments. The high intensities obtained for uranium showed that it was feasible to extend the studies of inverse reactions begun with the lanthanum beam to a heavier beam. Gold rather than uranium was chosen for our major run in August due to its low fission probability and higher beam intensity. No results are yet available for that experiment.« less

  8. Isosinglet approximation for nonelastic reactions

    NASA Technical Reports Server (NTRS)

    Wilson, J. W.

    1972-01-01

    Group theoretic relations are derived between different combinations of projectile and secondary particles which appear to have a broad range of application in spacecraft shielding or radiation damage studies. These relations are used to reduce the experimental effort required to obtain nuclear reaction data for transport calculations. Implications for theoretical modeling are also noted, especially for heavy-heavy reactions.

  9. Catalysis and Multi-Component Reactions

    NASA Astrophysics Data System (ADS)

    Shibasaki, Masakatsu; Yus, Miguel; Bremner, Stacy; Comer, Eamon; Shore, Gjergji; Morin, Sylvie; Organ, Michael G.; van der Eycken, Erik; Merkul, Eugen; Dorsch, Dieter; Müller, Thomas J. J.; Ryabukhin, Sergey V.; Ostapchuk, Eugeniy N.; Plaskon, Andrey S.; Volochnyuk, Dmitriy M.; Shivanyuk, Alexander N.; Tolmachev, Andrey A.; Sheibani, Hassan; Babaie, Maryam; Behzadi, Soheila; Dabiri, Minoo; Bahramnejad, Mahboobeh; Bashiribod, Sahareh; Hekmatshoar, Rahim; Sadjadi, Sodeh; Khorasani, Mohammad; Polyakov, Anatoliy I.; Eryomina, Vera A.; Medvedeva, Lidiya A.; Tihonova, Nadezhda I.; Listratova, Anna V.; Voskressensky, Leonid G.; Merkul, Eugen; Dorsch, Dieter; Müller, Thomas J. J.; Sheibani, Hassan; Esfandiarpoor, Zeinab; Behzadi, Soheila; Titova, Julia A.; Fedorova, Olga V.; Ovchinnikova, Irina G.; Valova, Marina S.; Koryakova, Olga V.; Rusinov, Gennady L.; Charushin, Valery N.; Hekmatshoar, Rahim; Sadjadi, Sodeh

    We have been studying the development of new asymmetric two-center catalysis using rare earth alkoxides and bifunctional sugar and related ligands. In The Fourth International Conference on Multi-Component Reactions and Related Chemistry (MCR 2009), new catalytic asymmetric reactions using catalysts 1 and 2 and catalytic asymmetric syntheses of ranirestat 3 and tamiflu 4 will be presented.

  10. Velocity pump reaction turbine

    DOEpatents

    House, Palmer A.

    1982-01-01

    An expanding hydraulic/two-phase velocity pump reaction turbine including a dual concentric rotor configuration with an inter-rotor annular flow channel in which the inner rotor is mechanically driven by the outer rotor. In another embodiment, the inner rotor is immobilized and provided with gas recovery ports on its outer surface by means of which gas in solution may be recovered. This velocity pump reaction turbine configuration is capable of potential energy conversion efficiencies of up to 70%, and is particularly suited for geothermal applications.

  11. Velocity pump reaction turbine

    DOEpatents

    House, Palmer A.

    1984-01-01

    An expanding hydraulic/two-phase velocity pump reaction turbine including a dual concentric rotor configuration with an inter-rotor annular flow channel in which the inner rotor is mechanically driven by the outer rotor. In another embodiment, the inner rotor is immobilized and provided with gas recovery ports on its outer surface by means of which gas in solution may be recovered. This velocity pump reaction turbine configuration is capable of potential energy conversion efficiencies of up to 70%, and is particularly suited for geothermal applications.

  12. Velocity pump reaction turbine

    DOEpatents

    House, P.A.

    An expanding hydraulic/two-phase velocity pump reaction turbine including a dual concentric rotor configuration with an inter-rotor annular flow channel in which the inner rotor is mechanically driven by the outer rotor. In another embodiment, the inner rotor is immobilized and provided with gas recovery ports on its outer surface by means of which gas in solution may be recovered. This velocity pump reaction turbine configuration is capable of potential energy conversion efficiencies of up to 70%, and is particularly suited for geothermal applications.

  13. Reactions and Spectroscopy of Excited Nitrenes

    DTIC Science & Technology

    1992-10-05

    eighteen month period is described. In the first project. reactions of halogen amines with excess H or D atams were studied as sources c -,, t, Žd NF and...NC1. The reaction of H /D with nit- rogen trichloride was scaled .;ent and product densities about 100 times greater than those of previous • .-. nts...an investigation of the reaction of NFC1 2 with H atoms. This work was performed with additional support from a second AFOSR sup- ported grant (AFOSR

  14. Hyperbranched Polycarbosilanes via Nucleophilic Substitution Reactions

    NASA Astrophysics Data System (ADS)

    Interrante, L.; Shen, Q.

    Nucleophilic substitution reactions involving organomagnesium (Grignard) [1] and organolithium reagents have been used extensively for many years to form Si—C bonds (see Reaction Scheme 12.1). However, their use for the construction of hyperbranched polymers whose backbone contains, as a major structural component, silicon—carbon bonds, i.e., polycarbosilanes [2] is relatively more recent. (12.1) begin{array}{l} {{R}}_3 {{SiX + MR'}} to {{R}}_3 {{SiR' + MX}} \\ left({{{R,R' = alkyl}} {{or aryl;}} {{M = Mg(X),}} {{Li,}} {{Na}};{{X = halogen, OR''}}} right) \\ This chapter focuses on the application of such nucleophilic substitution reactions toward the synthesis of hyperbranched polycarbosilanes, with particular emphasis on those preparations that have resulted in relatively well characterized products. These syntheses are organized by the type of ABn monomer unit used (see Section 1.2), where A and B refer to the (C)X and (Si)Xn, respectively, functional ends of the monomer unit and where the nature of the coupling reaction leads to entirely or primarily Si—C bond formation. In most cases, these are “one-pot” reactions that employ monomers that bear halogen or alkoxy groups on the C and Si ends of the unit. Indeed, hyperbranched polycarbosilanes have been described, in general, as “obtained in one synthetic step via a random, one-pot polymerization of multifunctional monomers of AB n type” [2]. Treatment of the ABn monomer with either elemental Mg or an organolithium reagent, ideally (but not always) forms a complexed carbanion (the nucleophile) by reaction with the C-X end of the monomer unit, resulting in an intermediate of the type, (XxM)CSiXn, where M = Mg or Li, X = halogen or alkoxy, and x = 1 (Mg) or 0 (Li). Self-coupling of this reagent via reactions of the type shown in Reaction Scheme 12.1 leads to oligomeric and polymeric products that are connected primarily through Si—C bonds and yield an inorganic MXx by-product.

  15. Modeling of uncertainties in biochemical reactions.

    PubMed

    Mišković, Ljubiša; Hatzimanikatis, Vassily

    2011-02-01

    Mathematical modeling is an indispensable tool for research and development in biotechnology and bioengineering. The formulation of kinetic models of biochemical networks depends on knowledge of the kinetic properties of the enzymes of the individual reactions. However, kinetic data acquired from experimental observations bring along uncertainties due to various experimental conditions and measurement methods. In this contribution, we propose a novel way to model the uncertainty in the enzyme kinetics and to predict quantitatively the responses of metabolic reactions to the changes in enzyme activities under uncertainty. The proposed methodology accounts explicitly for mechanistic properties of enzymes and physico-chemical and thermodynamic constraints, and is based on formalism from systems theory and metabolic control analysis. We achieve this by observing that kinetic responses of metabolic reactions depend: (i) on the distribution of the enzymes among their free form and all reactive states; (ii) on the equilibrium displacements of the overall reaction and that of the individual enzymatic steps; and (iii) on the net fluxes through the enzyme. Relying on this observation, we develop a novel, efficient Monte Carlo sampling procedure to generate all states within a metabolic reaction that satisfy imposed constrains. Thus, we derive the statistics of the expected responses of the metabolic reactions to changes in enzyme levels and activities, in the levels of metabolites, and in the values of the kinetic parameters. We present aspects of the proposed framework through an example of the fundamental three-step reversible enzymatic reaction mechanism. We demonstrate that the equilibrium displacements of the individual enzymatic steps have an important influence on kinetic responses of the enzyme. Furthermore, we derive the conditions that must be satisfied by a reversible three-step enzymatic reaction operating far away from the equilibrium in order to respond to

  16. Proton bombarded reactions of Calcium target nuclei

    NASA Astrophysics Data System (ADS)

    Tel, Eyyup; Sahan, Muhittin; Sarpün, Ismail Hakki; Kavun, Yusuf; Gök, Ali Armagan; Depedelen, Mesut

    2017-09-01

    In this study, proton bombarded nuclear reactions calculations of Calcium target nuclei have been investigated in the incident proton energy range of 1-50 MeV. The excitation functions for 40Ca target nuclei reactions have been calculated by using PCROSS nuclear reaction calculation code. Weisskopf-Ewing and the full exciton models were used for equilibrium and for pre-equilibrium calculations, respectively. The excitation functions for 40Ca target nuclei reactions (p,α), (p,n), (p,p) have been calculated using the semi-empirical formula Tel et al. [5].

  17. Dioxygen in Polyoxometalate Mediated Reactions.

    PubMed

    Weinstock, Ira A; Schreiber, Roy E; Neumann, Ronny

    2018-03-14

    In this review article, we consider the use of molecular oxygen in reactions mediated by polyoxometalates. Polyoxometalates are anionic metal oxide clusters of a variety of structures that are soluble in liquid phases and therefore amenable to homogeneous catalytic transformations. Often, they are active for electron transfer oxidations of a myriad of substrates and upon reduction can be reoxidized by molecular oxygen. For example, the phosphovanadomolybdate, H 5 PV 2 Mo 10 O 40 , can oxidize Pd(0) thereby enabling aerobic reactions catalyzed by Pd and H 5 PV 2 Mo 10 O 40 . In a similar vein, polyoxometalates can stabilize metal nanoparticles, leading to additional transformations. Furthermore, electron transfer oxidation of other substrates such as halides and sulfur-containing compounds is possible. More uniquely, H 5 PV 2 Mo 10 O 40 and its analogues can mediate electron transfer-oxygen transfer reactions where oxygen atoms are transferred from the polyoxometalate to the substrate. This unique property has enabled correspondingly unique transformations involving carbon-carbon, carbon-hydrogen, and carbon-metal bond activation. The pathway for the reoxidation of vanadomolybdates with O 2 appears to be an inner-sphere reaction, but the oxidation of one-electron reduced polyoxotungstates has been shown through intensive research to be an outer-sphere reaction. Beyond electron transfer and electron transfer-oxygen transfer aerobic transformations, there a few examples of apparent dioxygenase activity where both oxygen atoms are donated to a substrate.

  18. Method for producing bio-fuel that integrates heat from carbon-carbon bond-forming reactions to drive biomass gasification reactions

    DOEpatents

    Cortright, Randy D [Madison, WI; Dumesic, James A [Verona, WI

    2012-04-10

    A low-temperature catalytic process for converting biomass (preferably glycerol recovered from the fabrication of bio-diesel) to synthesis gas (i.e., H.sub.2/CO gas mixture) in an endothermic gasification reaction is described. The synthesis gas is used in exothermic carbon-carbon bond-forming reactions, such as Fischer-Tropsch, methanol, or dimethylether syntheses. The heat from the exothermic carbon-carbon bond-forming reaction is integrated with the endothermic gasification reaction, thus providing an energy-efficient route for producing fuels and chemicals from renewable biomass resources.

  19. Method for producing bio-fuel that integrates heat from carbon-carbon bond-forming reactions to drive biomass gasification reactions

    DOEpatents

    Cortright, Randy D.; Dumesic, James A.

    2013-04-02

    A low-temperature catalytic process for converting biomass (preferably glycerol recovered from the fabrication of bio-diesel) to synthesis gas (i.e., H.sub.2/CO gas mixture) in an endothermic gasification reaction is described. The synthesis gas is used in exothermic carbon-carbon bond-forming reactions, such as Fischer-Tropsch, methanol, or dimethylether syntheses. The heat from the exothermic carbon-carbon bond-forming reaction is integrated with the endothermic gasification reaction, thus providing an energy-efficient route for producing fuels and chemicals from renewable biomass resources.

  20. Method for producing bio-fuel that integrates heat from carbon-carbon bond-forming reactions to drive biomass gasification reactions

    DOEpatents

    Cortright, Randy D [Madison, WI; Dumesic, James A [Verona, WI

    2011-01-18

    A low-temperature catalytic process for converting biomass (preferably glycerol recovered from the fabrication of bio-diesel) to synthesis gas (i.e., H.sub.2/CO gas mixture) in an endothermic gasification reaction is described. The synthesis gas is used in exothermic carbon-carbon bond-forming reactions, such as Fischer-Tropsch, methanol, or dimethylether syntheses. The heat from the exothermic carbon-carbon bond-forming reaction is integrated with the endothermic gasification reaction, thus providing an energy-efficient route for producing fuels and chemicals from renewable biomass resources.

  1. Method for predicting enzyme-catalyzed reactions

    DOEpatents

    Hlavacek, William S.; Unkefer, Clifford J.; Mu, Fangping; Unkefer, Pat J.

    2013-03-19

    The reactivity of given metabolites is assessed using selected empirical atomic properties in the potential reaction center. Metabolic reactions are represented as biotransformation rules. These rules are generalized from the patterns in reactions. These patterns are not unique to reactants but are widely distributed among metabolites. Using a metabolite database, potential substructures are identified in the metabolites for a given biotransformation. These substructures are divided into reactants or non-reactants, depending on whether they participate in the biotransformation or not. Each potential substructure is then modeled using descriptors of the topological and electronic properties of atoms in the potential reaction center; molecular properties can also be used. A Support Vector Machine (SVM) or classifier is trained to classify a potential reactant as a true or false reactant using these properties.

  2. Reaction Order Ambiguity in Integrated Rate Plots

    ERIC Educational Resources Information Center

    Lee, Joe

    2008-01-01

    Integrated rate plots are frequently used in reaction kinetics to determine orders of reactions. It is often emphasised, when using this methodology in practice, that it is necessary to monitor the reaction to a substantial fraction of completion for these plots to yield unambiguous orders. The present article gives a theoretical and statistical…

  3. Coupled Reactions "versus" Connected Reactions: Coupling Concepts with Terms

    ERIC Educational Resources Information Center

    Aledo, Juan Carlos

    2007-01-01

    A hallmark of living matter is its ability to extract and transform energy from the environment. Not surprisingly, biology students are required to take thermodynamics. The necessity of coupling exergonic reactions to endergonic processes is easily grasped by most undergraduate students. However, when addressing the thermodynamic concept of…

  4. A Grignard-like Organic Reaction in Water

    NASA Astrophysics Data System (ADS)

    Breton, Gary W.; Hughey, Christine A.

    1998-01-01

    The addition of a Grignard reagent to a carbonyl-containing compound to form an alcohol is an important reaction to demonstrate in organic chemistry laboratory courses. However, the reaction presents several practical problems for the lab instructor including the need for anhydrous solvents (e.g., ether), dry glassware, and the occasional problem of slow reaction initiation. We have scaled, and tested, a known Grignard-like reaction between allyl bromide and benzaldehyde mediated by zinc metal in aqueous media. The procedure retains the desirable features of the traditional Grignard reaction, while eliminating some of the commonly encountered difficulties. Thus, addition of allyl bromide (1.2 eq) to benzaldehyde and zinc in a two-phase mixture of THF and saturated aqueous NH4Cl afforded addition product 1-phenyl-3-buten-1-ol in 70-85% yields.

  5. Leprosy reactions in postelimination stage: the Bangladesh experience.

    PubMed

    Mowla, M R; Ara, S; Mizanur Rahman, A F M; Tripura, S P; Paul, S

    2017-04-01

    Leprosy reactions are immunologically mediated conditions and a major cause of disability before, during and after multidrug therapy (MDT). Little data have been published on the epidemiology of leprosy reactions in Bangladesh. To describe the pattern and prevalence of leprosy reactions in the postelimination stage. A descriptive retrospective cross-sectional study was carried out in Chittagong Medical College Hospital using the registered records of patients in the period between 2004 and 2013. Of the 670 patients with leprosy, 488 (73.38%) were males and 182 (27.37%) were females. The prevalence of reaction was in 300 (44.78%) patients with a male:female ratio of 3.55 : 1. The age-specific cumulative reaction cases at >40 years were 115 (38.33%) among all age groups. The prevalence of reaction was found to be in 166 (55.33%) patients for the reversal reaction, 49 (16.57%) for the erythema nodosum leprosum (ENL) and 85 (28.33%) for the neuritis. Borderline tuberculoid was most common (106, 35.33%)in the reversal reaction group, while lepromatous leprosy was most common (37, 12.33%) in ENL group. More than half of the patients (169, 56.33%) had reactions at the time of presentations, while 85 (28.33%) and 46 (15.33%) patients developed reaction during and after MDT, respectively. The reversal reaction group presented with ≥six skin lesions in 96 (57.83%) patients and ≥two nerve function impairments (NFIs) in 107 (64.46%) patients. The ENL was present chiefly as papulo-nodular lesions in 45 (91.84%) patients followed by pustule-necrotic lesions in four (8.16%), neuritis in 33 (67.35%), fever in 24 (48.98%), lymphadenitis in six (12.24%), arthritis in five (10.20%) and iritis in two (4.08%). Bacterial index ≥3 had been demonstrated in 34 (60.71%) patients in ENL group. The incidence of leprosy reaction seemed to be more than three times common in borderline tuberculoid (52.33%) group than in lepromatous leprosy (14%) group. Reactions with NFI and disability

  6. Theoretical studies on bimolecular reaction dynamics

    PubMed Central

    Clary, David C.

    2008-01-01

    This perspective discusses progress in the theory of bimolecular reaction dynamics in the gas phase. The examples selected show that definitive quantum dynamical computations are providing insights into the detailed mechanisms of chemical reactions. PMID:18626015

  7. Activation barriers for series of exothermic homologous reactions. VI. Reactions of lanthanide and transition metal atoms.

    NASA Astrophysics Data System (ADS)

    Blue, Alan S.; Fontijn, Arthur

    2001-09-01

    Semiempirical configuration interaction (SECI) theory to predict activation barriers, E, as given by k(T)=ATn exp(-E(RT), has been applied to homologous series of lanthanide (LN) and transition metal (TM) atom oxidation reactions. This was achieved by considering as homologous series reactions of elements differing only by the number of electrons in one subshell. Comparison between SECI and experimental results leads to an average deviation for the LN+N2O reactions of 0.66 kJ mol-1, and up to 5.5 kJ mol-1 for other series. Thirty-one activation barriers are reported.

  8. Low Energy Nuclear Reaction Products at Surfaces

    NASA Astrophysics Data System (ADS)

    Nagel, David J.

    2008-03-01

    This paper examines the evidence for LENR occurring on or very near to the surface of materials. Several types of experimental indications for LENR surface reactions have been reported and will be reviewed. LENR result in two types of products, energy and the appearance of new elements. The level of instantaneous power production can be written as the product of four factors: (1) the total area of the surface on which the reactions can occur, (2) the fraction of the area that is active at any time, (3) the reaction rate, that is, the number of reactions per unit active area per second, and (4) the energy produced per reaction. Each of these factors, and their limits, are reviewed. A graphical means of relating these four factors over their wide variations has been devised. The instantaneous generation of atoms of new elements can also be written as the product of the first three factors and the new elemental mass produced per reaction. Again, a graphical means of presenting the factors and their results over many orders of magnitude has been developed.

  9. Some reactions of the hydroxyl adduct of adenine

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

    Vanhemmen, J.J.

    1975-01-01

    The chemical reactions of purine derivatives resulting from pulse radiolysis were studied. Some reactions of the hydroxyl adduct of adenine are described and one of these reactions was compared with similar reactions of hydroxyl adducts of other purine derivatives. Evidence is given that in various purines opening of the imidazole ring is due to unimolecular rearrangements of the hydroxyl adducts. (GRA)

  10. Representing Rate Equations for Enzyme-Catalyzed Reactions

    ERIC Educational Resources Information Center

    Ault, Addison

    2011-01-01

    Rate equations for enzyme-catalyzed reactions are derived and presented in a way that makes it easier for the nonspecialist to see how the rate of an enzyme-catalyzed reaction depends upon kinetic constants and concentrations. This is done with distribution equations that show how the rate of the reaction depends upon the relative quantities of…

  11. Adverse drug reactions in hospitalized Colombian children.

    PubMed

    de Las Salas, Roxana; Díaz-Agudelo, Daniela; Burgos-Flórez, Francisco Javier; Vaca, Claudia; Serrano-Meriño, Dolores Vanessa

    2016-09-30

    The occurrence of adverse drug reactions is an important issue due to the lack of drug safety data in children. To describe the Adverse Drug Reactions in inpatient children under 6 years of age in two general pediatrics wards located in Barranquilla, Colombia. A prospective cohort study based on intensive pharmacovigilance was conducted during six months in order to monitor the emergence of Adverse Drug Reactions in inpatients children under 6 years of age with at least one medication prescribed. The study was conducted in two pediatric wards of two hospitals located in Barranquilla, Colombia. Naranjo´s Algorithm was used to evaluate imputability, the modified Hartwig and Siegel assessment scale to establish severity and the Schumock and Thornton criteria to determine preventability. Of a total of 772 monitored patients, 156 Adverse Drug Reactions were detected on 147 children. The cumulative incidence of Adverse Drug Reactions was 19.0% (147/772); the incidence density was 37.6 Adverse Drug Reactions per 1,000 patients-days (147/3,913). The frequency was higher in children under 2 years of age (12.7%). Emergence of Adverse Drug Reactions was higher in male patients (RR= 1.66; 95% CI= 1.22-2.22, p = 0.001) and in those who used systemic antibiotics (RR= 1.82; 95% CI= 1.17-2.82, p = 0.005). Adverse Drug Reactions are common among hospitalized children and represent an additional burden of morbidity and risk, particularly in those who used several medicines, including antibiotics.

  12. A Hierarchy of Homodesmotic Reactions for Thermochemistry

    PubMed Central

    Schleyer, Paul v. R.

    2009-01-01

    Chemical equations that balance bond types and atom hybridization to different degrees are often used in computational thermochemistry, for example, to increase accuracy when lower levels of theory are employed. We expose the widespread confusion over such classes of equations and demonstrate that the two most widely used definitions of “homodesmotic” reactions are not equivalent. New definitions are introduced and a consistent hierarchy of reaction classes (RC1 – RC5) for hydrocarbons is constructed: isogyric (RC1) ⊇ isodesmic (RC2) ⊇ hypohomodesmotic (RC3) ⊇ homodesmotic (RC4) ⊇ hyperhomodesmotic (RC5). Each of these successively conserves larger molecular fragments. The concept of isodesmic bond separation reactions is generalized to all classes in this hierarchy, providing a unique sectioning of a given molecule for each reaction type. Several ab initio and density functional methods are applied to the bond separation reactions of 38 hydrocarbons containing five or six carbon atoms. RC4 and RC5 reactions provide bond separation enthalpies with errors consistently less than 0.4 kcal mol−1 across a wide range of theoretical levels, performing significantly better than the other reaction types and far superior to atomization routes. Our recommended bond separation reactions were demonstrated by determining the enthalpies of formation (at 298 K) of 1,3,5-hexatriyne (163.7 ± 0.4 kcal mol−1), 1,3,5,7-octatetrayne (217.6 ± 0.6 kcal mol−1), the larger polyynes C10H2 through C26H2, and an infinite acetylenic carbon chain. PMID:19182999

  13. Permeability Changes in Reaction Induced Fracturing

    NASA Astrophysics Data System (ADS)

    Ulven, Ole Ivar; Malthe-Sørenssen, Anders; Kalia, Rajiv

    2013-04-01

    The process of fracture formation due to a volume increasing chemical reaction has been studied in a variety of different settings, e.g. weathering of dolerites by Røyne et al.[4], serpentinization and carbonation of peridotite by Rudge et al.[3] and replacement reactions in silica-poor igneous rocks by Jamtveit et al.[1]. It is generally assumed that fracture formation will increase the net permeability of the rock, and thus increase the reactant transport rate and subsequently the total reaction rate, as summarised by Kelemen et al.[2]. Røyne et al.[4] have shown that transport in fractures will have an effect on the fracture pattern formed. Understanding the feedback process between fracture formation and permeability changes is essential in assessing industrial scale CO2 sequestration in ultramafic rock, but little is seemingly known about how large the permeability change will be in reaction-induced fracturing under compression, and it remains an open question how sensitive a fracture pattern is to permeability changes. In this work, we study the permeability of fractures formed under compression, and we use a 2D discrete element model to study the fracture patterns and total reaction rates achieved with different permeabilities. We achieve an improved understanding of the feedback processes in reaction-driven fracturing, thus improving our ability to decide whether industrial scale CO2 sequestration in ultramafic rock is a viable option for long-term handling of CO2. References [1] Jamtveit, B, Putnis, C. V., and Malthe-Sørenssen, A., "Reaction induced fracturing during replacement processes," Contrib. Mineral Petrol. 157, 2009, pp. 127 - 133. [2] Kelemen, P., Matter, J., Streit, E. E., Rudge, J. F., Curry, W. B., and Blusztajn, J., "Rates and Mechanisms of Mineral Carbonation in Peridotite: Natural Processes and Recipes for Enhanced, in situ CO2 Capture and Storage," Annu. Rev. Earth Planet. Sci. 2011. 39:545-76. [3] Rudge, J. F., Kelemen, P. B., and

  14. Suppression of reactions to certain cosmetics.

    PubMed

    Fisher, A A

    1977-08-01

    Reactions to hair dyes and bleaches may be "suppressed" with corticosteroids and antihistamines. Reactions to nail polish may be prevented by a "drying" or "polymerizing" technique. Sensitization to certain perfume ingredients may be inhibited by a "quenching" phenomenon.

  15. Initiator and Photocatalyst-Free Visible Light Induced One-Pot Reaction: Concurrent RAFT Polymerization and CuAAC Click Reaction.

    PubMed

    Wang, Jie; Wang, Xinbo; Xue, Wentao; Chen, Gaojian; Zhang, Weidong; Zhu, Xiulin

    2016-05-01

    A new, visible light-catalyzed, one-pot and one-step reaction is successfully employed to design well-controlled side-chain functionalized polymers, by the combination of ambient temperature revisible addtion-fragmentation chain transfer (RAFT) polymerization and click chemistry. Polymerizations are well controlled in a living way under the irradiation of visible light-emitting diode (LED) light without photocatalyst and initiator, using the trithiocarbonate agent as iniferter (initiator-transfer agent-terminator) agent at ambient temperature. Fourier transfer infrared spectroscopy (FT-IR), NMR, and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) data confirm the successful one-pot reaction. Compared to the reported zero-valent metal-catalyzed one-pot reaction, the polymerization rate is much faster than that of the click reaction, and the visible light-catalyzed one-pot reaction can be freely and easily regulated by turning on and off the light. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Bimolecular reactions of carbenes: Proton transfer mechanism

    NASA Astrophysics Data System (ADS)

    Abu-Saleh, Abd Al-Aziz A.; Almatarneh, Mansour H.; Poirier, Raymond A.

    2018-04-01

    Here we report the bimolecular reaction of trifluoromethylhydroxycarbene conformers and the water-mediated mechanism of the 1,2-proton shift for the unimolecular trans-conformer by using quantum chemical calculations. The CCSD(T)/cc-pVTZ//MP2/cc-pVDZ potential-energy profile of the bimolecular reaction of cis- and trans-trifluoromethylhydroxycarbene, shows the lowest gas-phase barrier height of 13 kJ mol-1 compared to the recently reported value of 128 kJ mol-1 for the unimolecular reaction. We expect bimolecular reactions of carbene's stereoisomers will open a valuable field for new and useful synthetic strategies.

  17. Case report: anaphylactic reaction to guaifenesin.

    PubMed

    Ray, Manujendra; Faltay, Bela; Haller, Nairmeen Awad

    2009-12-01

    Adverse drug reactions lead to a significant number of hospital admissions each year and thus contribute to the overall financial burden of health care. Some of these drug reactions are allergic responses. As the overall predictability of allergic responses to drugs remains low, efforts to improve our understanding of the processes underlying these responses continue as we strive toward the ultimate goal of primary prevention. Allergic reactions range from mild pruritic to severe systemic anaphylactic responses. We report a case of a young healthy man who developed an anaphylactic reaction to an over-the-counter expectorant. A skin test showed that the patient had an immunoglobulin E-mediated allergic response to guaifenesin, one of the components of commonly available cough medications. Our review of published literature showed that this is the first report of a severe allergic response to guaifenesin.

  18. Heterogeneous catalytic reactions of carbon dioxide

    NASA Astrophysics Data System (ADS)

    Krylov, Oleg V.; Mamedov, A. Kh

    1995-09-01

    The most important classes of heterogeneous catalytic reactions involving CO2 are examined: the incorporation of CO2 in the C-C, C-H, and C-N bonds with formation of carbonyl- and carboxyl-containing compounds and oxidation of other compounds by CO2. Reactions of the second class are more promising from the standpoint of the utilisation of carbon dioxide as a chemical raw material and from the standpoint of the solution of the ecological problems involving its utilisation from the gaseous waste discharged into the atmosphere. The reactions involving the oxidation of C1-C7 hydrocarbons and C1-C2 alcohols by carbon dioxide, which have been investigated by the authors of this review, are examined in detail. Catalysts based on manganese oxides are most effective in these reactions. The bibliography includes 231 references.

  19. Cutaneous and systemic hypersensitivity reactions to metallic implants.

    PubMed

    Basko-Plluska, Juliana L; Thyssen, Jacob P; Schalock, Peter C

    2011-01-01

    Cutaneous reactions to metal implants, orthopedic or otherwise, are well documented in the literature. The first case of a dermatitis reaction over a stainless steel fracture plate was described in 1966. Most skin reactions are eczematous and allergic in nature, although urticarial, bullous, and vasculitic eruptions may occur. Also, more complex immune reactions may develop around the implants, resulting in pain, inflammation, and loosening. Nickel, cobalt, and chromium are the three most common metals that elicit both cutaneous and extracutaneous allergic reactions from chronic internal exposure. However, other metal ions as well as bone cement components can cause such hypersensitivity reactions. To complicate things, patients may also develop delayed-type hypersensitivity reactions to metals (ie, in-stent restenosis, prosthesis loosening, inflammation, pain, or allergic contact dermatitis) following the insertion of intravascular stents, dental implants, cardiac pacemakers, or implanted gynecologic devices. Despite repeated attempts by researchers and clinicians to further understand this difficult area of medicine, the association between metal sensitivity and cutaneous allergic reactions remains to be fully understood. This review provides an update of the current knowledge in this field and should be valuable to health care providers who manage patients with conditions related to this field.

  20. Numerical Analysis of Microwave Heating on Saponification Reaction

    NASA Astrophysics Data System (ADS)

    Huang, Kama; Jia, Kun

    2005-01-01

    Currently, microwave is widely used in chemical industry to accelerate chemical reactions. Saponification reaction has important applications in industry; some research results have shown that microwave heating can significantly accelerate the reaction [1]. But so far, no efficient method has been reported for the analysis of the heating process and design of an efficient reactor powered by microwave. In this paper, we present a method to study the microwave heating process on saponification reaction, where the reactant in a test tube is considered as a mixture of dilute solution. According to the preliminary measurement results, the effective permittivity of the mixture is approximately the permittivity of water, but the conductivity, which could change with the reaction, is derived from the reaction equation (RE). The electromagnetic field equation and reaction equation are coupled by the conductivity. Following that, the whole heating processes, which is described by Maxwell's equations, the reaction equation and heat transport equation (HTE), is analyzed by finite difference time domain (FDTD) method. The temperature rising in the test tube are measured and compared with the computational results. Good agreement can be seen between the measured and calculated results.

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