10 CFR 50.47 - Emergency plans.

Code of Federal Regulations, 2013 CFR

2013-01-01

... to the populace within the plume exposure pathway Emergency Planning Zone have been established. (6... has been developed for the plume exposure pathway EPZ for emergency workers and the public. In... pathway EPZ appropriate to the locale have been developed. (11) Means for controlling radiological...

10 CFR 50.47 - Emergency plans.

Code of Federal Regulations, 2012 CFR

2012-01-01

... to the populace within the plume exposure pathway Emergency Planning Zone have been established. (6... has been developed for the plume exposure pathway EPZ for emergency workers and the public. In... pathway EPZ appropriate to the locale have been developed. (11) Means for controlling radiological...

10 CFR 50.47 - Emergency plans.

Code of Federal Regulations, 2011 CFR

2011-01-01

... clear instruction to the populace within the plume exposure pathway Emergency Planning Zone have been... protective actions has been developed for the plume exposure pathway EPZ for emergency workers and the public... and in place, and protective actions for the ingestion exposure pathway EPZ appropriate to the locale...

Species differences in metabolism of EPZ015666, an oxetane-containing protein arginine methyltransferase-5 (PRMT5) inhibitor.

PubMed

Rioux, Nathalie; Duncan, Kenneth W; Lantz, Ronald J; Miao, Xiusheng; Chan-Penebre, Elayne; Moyer, Mikel P; Munchhof, Michael J; Copeland, Robert A; Chesworth, Richard; Waters, Nigel J

2016-01-01

1. Metabolite profiling and identification studies were conducted to understand the cross-species differences in the metabolic clearance of EPZ015666, a first-in-class protein arginine methyltransferase-5 (PRMT5) inhibitor, with anti-proliferative effects in preclinical models of Mantle Cell Lymphoma. EPZ015666 exhibited low clearance in human, mouse and rat liver microsomes, in part by introduction of a 3-substituted oxetane ring on the molecule. In contrast, a higher clearance was observed in dog liver microsomes (DLM) that translated to a higher in vivo clearance in dog compared with rodent. 2. Structure elucidation via high resolution, accurate mass LC-MS(n) revealed that the prominent metabolites of EPZ015666 were present in hepatocytes from all species, with the highest turnover rate in dogs. M1 and M2 resulted from oxidative oxetane ring scission, whereas M3 resulted from loss of the oxetane ring via an N-dealkylation reaction. 3. The formation of M1 and M2 in DLM was significantly abrogated in the presence of the specific CYP2D inhibitor, quinidine, and to a lesser extent by the CYP3A inhibitor, ketoconazole, corroborating data from human recombinant isozymes. 4. Our data indicate a marked species difference in the metabolism of the PRMT5 inhibitor EPZ015666, with oxetane ring scission the predominant metabolic pathway in dog mediated largely by CYP2D.

44 CFR 350.5 - Criteria for review and approval of State and local radiological emergency plans and preparedness.

Code of Federal Regulations, 2013 CFR

2013-10-01

... populace within the plume exposure pathway Emergency Planning Zone have been established. (6) Provisions... plume exposure pathway EPZ for emergency workers and the public. Guidelines for the choice of protective... actions for the ingestion exposure pathway EPZ appropriate to the locale have been developed. (11) Means...

44 CFR 350.5 - Criteria for review and approval of State and local radiological emergency plans and preparedness.

Code of Federal Regulations, 2012 CFR

2012-10-01

... populace within the plume exposure pathway Emergency Planning Zone have been established. (6) Provisions... plume exposure pathway EPZ for emergency workers and the public. Guidelines for the choice of protective... actions for the ingestion exposure pathway EPZ appropriate to the locale have been developed. (11) Means...

44 CFR 350.5 - Criteria for review and approval of State and local radiological emergency plans and preparedness.

Code of Federal Regulations, 2014 CFR

2014-10-01

... populace within the plume exposure pathway Emergency Planning Zone have been established. (6) Provisions... plume exposure pathway EPZ for emergency workers and the public. Guidelines for the choice of protective... actions for the ingestion exposure pathway EPZ appropriate to the locale have been developed. (11) Means...

Synergistic Anti-Tumor Activity of EZH2 Inhibitors and Glucocorticoid Receptor Agonists in Models of Germinal Center Non-Hodgkin Lymphomas

PubMed Central

Klaus, Christine R.; Wigle, Tim J.; Iwanowicz, Dorothy; Littlefield, Bruce A.; Porter-Scott, Margaret; Smith, Jesse J.; Moyer, Mikel P.; Copeland, Robert A.; Pollock, Roy M.; Kuntz, Kevin W.; Raimondi, Alejandra; Keilhack, Heike

2014-01-01

Patients with non-Hodgkin lymphoma (NHL) are treated today with a cocktail of drugs referred to as CHOP (Cyclophosphamide, Hydroxyldaunorubicin, Oncovin, and Prednisone). Subsets of patients with NHL of germinal center origin bear oncogenic mutations in the EZH2 histone methyltransferase. Clinical testing of the EZH2 inhibitor EPZ-6438 has recently begun in patients. We report here that combining EPZ-6438 with CHOP in preclinical cell culture and mouse models results in dramatic synergy for cell killing in EZH2 mutant germinal center NHL cells. Surprisingly, we observe that much of this synergy is due to Prednisolone – a glucocorticoid receptor agonist (GRag) component of CHOP. Dramatic synergy was observed when EPZ-6438 is combined with Prednisolone alone, and a similar effect was observed with Dexamethasone, another GRag. Remarkably, the anti-proliferative effect of the EPZ-6438+GRag combination extends beyond EZH2 mutant-bearing cells to more generally impact germinal center NHL. These preclinical data reveal an unanticipated biological intersection between GR-mediated gene regulation and EZH2-mediated chromatin remodeling. The data also suggest the possibility of a significant and practical benefit of combining EZH2 inhibitors and GRag that warrants further investigation in a clinical setting. PMID:25493630

Synergistic Anti-Tumor Activity of EZH2 Inhibitors and Glucocorticoid Receptor Agonists in Models of Germinal Center Non-Hodgkin Lymphomas.

PubMed

Knutson, Sarah K; Warholic, Natalie M; Johnston, L Danielle; Klaus, Christine R; Wigle, Tim J; Iwanowicz, Dorothy; Littlefield, Bruce A; Porter-Scott, Margaret; Smith, Jesse J; Moyer, Mikel P; Copeland, Robert A; Pollock, Roy M; Kuntz, Kevin W; Raimondi, Alejandra; Keilhack, Heike

2014-01-01

Patients with non-Hodgkin lymphoma (NHL) are treated today with a cocktail of drugs referred to as CHOP (Cyclophosphamide, Hydroxyldaunorubicin, Oncovin, and Prednisone). Subsets of patients with NHL of germinal center origin bear oncogenic mutations in the EZH2 histone methyltransferase. Clinical testing of the EZH2 inhibitor EPZ-6438 has recently begun in patients. We report here that combining EPZ-6438 with CHOP in preclinical cell culture and mouse models results in dramatic synergy for cell killing in EZH2 mutant germinal center NHL cells. Surprisingly, we observe that much of this synergy is due to Prednisolone - a glucocorticoid receptor agonist (GRag) component of CHOP. Dramatic synergy was observed when EPZ-6438 is combined with Prednisolone alone, and a similar effect was observed with Dexamethasone, another GRag. Remarkably, the anti-proliferative effect of the EPZ-6438+GRag combination extends beyond EZH2 mutant-bearing cells to more generally impact germinal center NHL. These preclinical data reveal an unanticipated biological intersection between GR-mediated gene regulation and EZH2-mediated chromatin remodeling. The data also suggest the possibility of a significant and practical benefit of combining EZH2 inhibitors and GRag that warrants further investigation in a clinical setting.

Tectono-metamorphic evolution of meta-ophiolitic units along Susa Valley (Italian Western Alps): new suggestions for the exhumation processes

NASA Astrophysics Data System (ADS)

Ghignone, Stefano; Borghi, Alessandro; Balestro, Gianni; Gattiglio, Marco

2017-04-01

In the inner Western Alps, meta-ophiolite units (i.e., the Piemonte Zone) show different stages of the tectono-metamorphic evolution, since the early phases of subduction to the latest exhumation steps. Tectono-metamorphic data collected through the meta-ophiolite units of the Piemonte Zone along the middle Susa Valley allowed to infer new ideas about the exhumation processes that developed in the (U)HP units. In this area, Zermatt-Saas-like meta-ophiolite unit (i.e., the eclogite-facies Internal Piemonte Zone, IPZ) are tectonically overlain by Combin-like ones (i.e., the blueschist-facies External Piemonte Zone, EPZ), through a thick shear zone (i.e., the Susa Shear Zone, SSZ). Metamorphic history was achieved by analyzing basic rocks (metabasalt and Fe-Ti metagabbro) and sedimentary rocks derived from reworking basic rocks in oceanic environment (basic sandstones and conglomerates, and ophiolitic breccia). Different P-T paths were inferred for IPZ and EPZ, according with mineral assemblages and realizations of pseudosections. In the IPZ, four tectono-metamorphic events, developed under variables metamorphic conditions, were recognized. The first (peak-P) event shows (U)HP conditions, defined by the occurrence of relic mineral assemblage (Grt I+ Omp I + Rt). The paragenesis is completed by Zo + Pg pseudomorphs, implying that Lws-eclogite facies were reached. The discovery in Grt (and Rt) relics inclusions of black euhedral pseudomorphs of disordered graphite, suggesting to be derived from original microdiamonds, agree with other petrologic constrains. The second event, marked by the Grt II + Omp II + Ph + Gln + Zo assemblage, developed under epidote-eclogite facies conditions. Following a retrograde and decompressional trajectory, the IPZ was then re-equilibrated under greenschist-facies conditions and a new assemblage (Ab + Chl + Mu + Czo + Ttn + Act) overprinted HP paragenesis. The last event is marked by a weak heating, with crystallization of Bt + Ep + Olig + Hbl (Prg) + Ms. The EPZ shows a different metamorphic evolution, where only two events were recognized. The first event developed under blueschist-facies conditions, with relics of mineral assemblages consisting of Gln + Rt + Ph. Then, a retrograde trajectory re-equilibrated EPZ under greenschist-facies conditions and a new stable mineral assemblage (Ab + Chl + Mu + Ttn + Act + Czo) grew. The inferred P-T path suggests, for the IPZ, a first isothermal exhumation stage, likely driven by buoyancy forces from the base of the orogenic wedge. In the EPZ, HP peak occurs at the same gradient of the second event in the IPZ, suggesting that, during exhumation of the IPZ, the EPZ was still subducted. The strong re-equilibration under greenschist-facies conditions suggests a stage of slow exhumation rate, which can be related to the coupling between IPZ and EPZ.

First-line eradication for Helicobacter pylori-positive gastritis by esomeprazole-based triple therapy is influenced by CYP2C19 genotype

PubMed Central

Saito, Yoshimasa; Serizawa, Hiroshi; Kato, Yukako; Nakano, Masaru; Nakamura, Masahiko; Saito, Hidetsugu; Suzuki, Hidekazu; Kanai, Takanori

2015-01-01

AIM: To evaluate the effect of first line esomeprazole (EPZ)-based triple therapy on Helicobacter pylori (H. pylori) eradication. METHODS: A total of 80 Japanese patients with gastritis who were diagnosed as positive for H. pylori infection by endoscopic biopsy-based or 13C-urea breath tests were included in this study. The average age of the patients was 57.2 years (male/female, 42/38). These patients were treated by first-line eradication therapy with EPZ 40 mg/d, amoxicillin 1500 mg/d, and clarithromycin 400 mg/d for 7 d. All drugs were given twice per day. Correlations between H. pylori eradication, CYP2C19 genotype, and serum pepsinogen (PG) level were analyzed. This study was registered with the UMIN Clinical Trials Registry (UMIN000009642). RESULTS: The H. pylori eradication rates by EPZ-based triple therapy evaluated by intention-to-treat and per protocol were 67.5% and 68.4%, respectively, which were similar to triple therapies with other first-generation proton pump inhibitors (PPIs). The eradication rates in three different CYP2C19 genotypes, described as extensive metabolizer (EM), intermediate metabolizer, and poor metabolizer, were 52.2%, 72.1%, and 84.6%, respectively. The H. pylori eradication rate was significantly lower in EM than non-EM (P < 0.05). The serum PG I level and PG I/II ratio were significantly increased after eradication of H. pylori (P < 0.01), suggesting that gastric atrophy was improved by H. pylori eradication. Thus, first-line eradication by EPZ-based triple therapy for patients with H. pylori-positive gastritis was influenced by CYP2C19 genotype, and the eradication rate was on the same level with other first-generation PPIs in the Japanese population. CONCLUSION: The results from this study suggest that there is no advantage to EPZ-based triple therapy on H. pylori eradication compared to other first-generation PPIs. PMID:26730167

The biosynthetic genes for prenylated phenazines are located at two different chromosomal loci of Streptomyces cinnamonensis DSM 1042

PubMed Central

Seeger, Kerstin; Flinspach, Katrin; Haug‐Schifferdecker, Elisa; Kulik, Andreas; Gust, Bertolt; Fiedler, Hans‐Peter; Heide, Lutz

2011-01-01

Summary Streptomyces cinnamonensis DSM 1042 produces two types of isoprenoid secondary metabolites: the prenylated naphthalene derivative furanonaphthoquinone I (FNQ I), and isoprenylated phenazines which are termed endophenazines. Previously, a 55 kb gene cluster was identified which contained genes for both FNQ I and endophenazine biosynthesis. However, several genes required for the biosynthesis of these metabolites were not present in this cluster. We now re‐screened the cosmid library for genes of the mevalonate pathway and identified a separate genomic locus which contains the previously missing genes. This locus (15 kb) comprised orthologues of four phenazine biosynthesis genes known from Pseudomonas strains. Furthermore, the locus contained a putative operon of six genes of the mevalonate pathway, as well as the gene epzP which showed sequence similarity to a recently discovered class of prenyltransferases. Inactivation and complementation experiments proved the involvement of epzP in the prenylation reaction in endophenazine biosynthesis. This newly identified genomic locus is more than 40 kb distant from the previously identified cluster. The protein EpzP was expressed in Escherichia coli in form of a his‐tag fusion protein and purified. The enzyme catalysed the prenylation of 5,10‐dihydrophenazine‐1‐carboxylic acid (dihydro‐PCA) using dimethylallyl diphosphate (DMAPP) as isoprenoid substrate. Km values were determined as 108 µM for dihydro‐PCA and 25 µM for DMAPP. PMID:21342470

44 CFR 354.3 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-10-01

... SECURITY PREPAREDNESS FEE FOR SERVICES TO SUPPORT FEMA'S OFFSITE RADIOLOGICAL EMERGENCY PREPAREDNESS... means emergency planning zone. Federal Radiological Preparedness Coordinating Committee (FRPCC) means a... emergency planning and preparedness activities. Plume pathway EPZ means for planning purposes, the area...

44 CFR 354.5 - Description of site-specific, plume pathway EPZ biennial exercise-related component services and...

Code of Federal Regulations, 2010 CFR

2010-10-01

... Control Program Directors, and the Nuclear Energy Institute. (21) Implement and coordinate REP Program... from our REP Program Strategic Review implementation and oversight working group activities. (24) Costs...

44 CFR 354.5 - Description of site-specific, plume pathway EPZ biennial exercise-related component services and...

Code of Federal Regulations, 2014 CFR

2014-10-01

... Control Program Directors, and the Nuclear Energy Institute. (21) Implement and coordinate REP Program... from our REP Program Strategic Review implementation and oversight working group activities. (24) Costs...

44 CFR 354.5 - Description of site-specific, plume pathway EPZ biennial exercise-related component services and...

Code of Federal Regulations, 2013 CFR

2013-10-01

... Control Program Directors, and the Nuclear Energy Institute. (21) Implement and coordinate REP Program... from our REP Program Strategic Review implementation and oversight working group activities. (24) Costs...

44 CFR 354.5 - Description of site-specific, plume pathway EPZ biennial exercise-related component services and...

Code of Federal Regulations, 2011 CFR

2011-10-01

... Control Program Directors, and the Nuclear Energy Institute. (21) Implement and coordinate REP Program... from our REP Program Strategic Review implementation and oversight working group activities. (24) Costs...

44 CFR 352.1 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-10-01

... preparedness such as: Provision of support for the preparation off site radiological emergency response plans....1 Emergency Management and Assistance FEDERAL EMERGENCY MANAGEMENT AGENCY, DEPARTMENT OF HOMELAND... the Administrator, FEMA or designee. (c) EPZ means Emergency Planning Zone. (d) FEMA means the Federal...

44 CFR 350.2 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-10-01

... plume and ingestion exposure pathways respectively. (h) Plume Exposure Pathway refers to whole body... to days. (i) Ingestion Exposure Pathway refers to exposure primarily from ingestion of water or foods... exposure pathway EPZ when any of these entities has specific roles in emergency planning and preparedness...

44 CFR 350.2 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-10-01

... plume and ingestion exposure pathways respectively. (h) Plume Exposure Pathway refers to whole body... to days. (i) Ingestion Exposure Pathway refers to exposure primarily from ingestion of water or foods... exposure pathway EPZ when any of these entities has specific roles in emergency planning and preparedness...

44 CFR 350.2 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-10-01

... plume and ingestion exposure pathways respectively. (h) Plume Exposure Pathway refers to whole body... to days. (i) Ingestion Exposure Pathway refers to exposure primarily from ingestion of water or foods... exposure pathway EPZ when any of these entities has specific roles in emergency planning and preparedness...

44 CFR 350.2 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-10-01

... plume and ingestion exposure pathways respectively. (h) Plume Exposure Pathway refers to whole body... to days. (i) Ingestion Exposure Pathway refers to exposure primarily from ingestion of water or foods... exposure pathway EPZ when any of these entities has specific roles in emergency planning and preparedness...

44 CFR 350.2 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-10-01

... plume and ingestion exposure pathways respectively. (h) Plume Exposure Pathway refers to whole body... to days. (i) Ingestion Exposure Pathway refers to exposure primarily from ingestion of water or foods... exposure pathway EPZ when any of these entities has specific roles in emergency planning and preparedness...

Emergency planning and the acute toxic potency of inhaled ammonia.

PubMed Central

Michaels, R A

1999-01-01

Ammonia is present in agriculture and commerce in many if not most communities. This report evaluates the toxic potency of ammonia, based on three types of data: anecdotal data, in some cases predating World War 1, reconstructions of contemporary industrial accidents, and animal bioassays. Standards and guidelines for human exposure have been driven largely by the anecdotal data, suggesting that ammonia at 5,000-10,000 parts per million, volume/volume (ppm-v), might be lethal within 5-10 min. However, contemporary accident reconstructions suggest that ammonia lethality requires higher concentrations. For example, 33,737 ppm-v was a 5-min zero-mortality value in a major ammonia release in 1973 in South Africa. Comparisons of secondary reports of ammonia lethality with original sources revealed discrepancies in contemporary sources, apparently resulting from failure to examine old documents or accurately translate foreign documents. The present investigation revealed that contemporary accident reconstructions yield ammonia lethality levels comparable to those in dozens of reports of animal bioassays, after adjustment of concentrations to human equivalent concentrations via U.S. Environmental Protection Agency (EPA) procedures. Ammonia levels potentially causing irreversible injury or impairing the ability of exposed people to escape from further exposure or from coincident perils similarly have been biased downwardly in contemporary sources. The EPA has identified ammonia as one of 366 extremely hazardous substances subject to community right-to-know provisions of the Superfund Act and emergency planning provisions of the Clean Air Act. The Clean Air Act defines emergency planning zones (EPZs) around industrial facilities exceeding a threshold quantity of ammonia on-site. This study suggests that EPZ areas around ammonia facilities can be reduced, thereby also reducing emergency planning costs, which will vary roughly with the EPZ radius squared. Images Figure 1 Figure 2 PMID:10417358

Employment and environmental hazard: women workers and strategies of resistance in northern Thailand.

PubMed

Theobald, S

1996-10-01

This case study explores women's awareness of health and environmental dangers associated with employment in electronics factories in export processing zones (EPZs) in Thailand. The author illustrates with two examples of alliances between women and two nongovernmental organizations (NGOs) the constraints of formal alliances. Data are obtained from participatory research conducted among women employed in the electronics industry in 1995 in the Northern Regional Industrial Estate (NRIE) in Lamphun in rural northern Thailand. This article discusses whether the emphasis on women's employment in EPZs really results in the greater good for women or whether it is exploitation. Women working in the NRIE were aware of the environmental hazards of their jobs. Many women workers migrated to EPZs from rural areas in order to create income to support a family or pay educational expenses. Another reason for seeking work at NRIE was to earn high wages for a limited period that could be used as capital to start their own business. Although women expressed interest in reducing the environmental hazards of their jobs, women put a stronger priority on not jeopardizing their employment status. Labor is in great supply, and women trouble-makers are likely to lose their jobs. The Center for the Advancement of Lanna Women (CALW) is an NGO that was set up by academics from Chiangmai University. CALW encourages women to speak out about health and working conditions, but workers did not know how far to go in protests before losing their jobs, and this undermined the alliance building and potential for change. It is urged that the Thai government acknowledge NGOs legally and open up dialogue. Civil participation can only be actualized, if there is formal recognition of the role of the state and its relationship to industry and industry's goals of profit.

44 CFR 354.3 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-10-01

... a commercial nuclear power plant site once every two years in conformance with 44 CFR part 350. EPZ... Protection Agency, Department of Health and Human Services, Department of Interior, Department of Energy...) A license to construct or operate a commercial nuclear power plant; (2) A possession-only license...

Randomized Trial Comparing Esomeprazole and Rabeprazole in First-line Eradication Therapy for Helicobacter pylori Infection based on the Serum Levels of Pepsinogens.

PubMed

Shimoyama, Tadashi; Chinda, Daisuke; Sawada, Yoshihiko; Komai, Kazuo; Chiba, Hironobu; Saito, Yoshiharu; Sasaki, Yoshio; Matsuzaka, Masashi; Fukuda, Shinsaku

2017-01-01

Objective CYP2C19 metabolic activity influences the efficacy of Helicobacter pylori eradication therapies comprising PPIs. Rabeprazole (RPZ) and esomeprazole (EPZ) are PPIs not extensively metabolized by CYP2C19. The aim of this study was to elucidate whether or not first-line triple therapies using RPZ or EPZ are equally effective in Japanese patients with different CYP2C19 genotypes. Methods Two-hundred patients infected with H. pylori were randomized to receive one of the following regimens: amoxicillin (750 mg), clarithromycin (200 mg), and either esomeprazole (20 mg) (EAC group) or rabeprazole (10 mg) (RAC group), twice a day for one week. The CYP2C19 polymorphisms were determined by polymerase chain reaction and the serum level of pepsinogens was measured. Results The eradication rates of the EAC and RAC regimens were 79.8% (95% confidential interval: 71.7-89.0%) and 74.7% (66.0-83.4%), respectively, in a per protocol (PP) analysis (p=0.488). The eradication rates of the EAC and RAC regimens were not significantly different between patients with the homo EM genotype (p=0.999) or hetero IM or PM genotypes (p=0.286). A lower PG I/II ratio was associated with lower eradication rates (p=0.025). Conclusion Although the eradication rate was less than 80%, the EAC and RAC regimens were equally effective in each CYP2C19 genotype group. The PG I/II ratio was associated with the results of EAC and RAC therapy in this series of patients.

Randomized Trial Comparing Esomeprazole and Rabeprazole in First-line Eradication Therapy for Helicobacter pylori Infection based on the Serum Levels of Pepsinogens

PubMed Central

Shimoyama, Tadashi; Chinda, Daisuke; Sawada, Yoshihiko; Komai, Kazuo; Chiba, Hironobu; Saito, Yoshiharu; Sasaki, Yoshio; Matsuzaka, Masashi; Fukuda, Shinsaku

2017-01-01

Objective CYP2C19 metabolic activity influences the efficacy of Helicobacter pylori eradication therapies comprising PPIs. Rabeprazole (RPZ) and esomeprazole (EPZ) are PPIs not extensively metabolized by CYP2C19. The aim of this study was to elucidate whether or not first-line triple therapies using RPZ or EPZ are equally effective in Japanese patients with different CYP2C19 genotypes. Methods Two-hundred patients infected with H. pylori were randomized to receive one of the following regimens: amoxicillin (750 mg), clarithromycin (200 mg), and either esomeprazole (20 mg) (EAC group) or rabeprazole (10 mg) (RAC group), twice a day for one week. The CYP2C19 polymorphisms were determined by polymerase chain reaction and the serum level of pepsinogens was measured. Results The eradication rates of the EAC and RAC regimens were 79.8% (95% confidential interval: 71.7-89.0%) and 74.7% (66.0-83.4%), respectively, in a per protocol (PP) analysis (p=0.488). The eradication rates of the EAC and RAC regimens were not significantly different between patients with the homo EM genotype (p=0.999) or hetero IM or PM genotypes (p=0.286). A lower PG I/II ratio was associated with lower eradication rates (p=0.025). Conclusion Although the eradication rate was less than 80%, the EAC and RAC regimens were equally effective in each CYP2C19 genotype group. The PG I/II ratio was associated with the results of EAC and RAC therapy in this series of patients. PMID:28674348

Assessment of potassium iodide (KI) distribution program among communities within the emergency planning zones (EPZ) of two nuclear power plants.

PubMed

Blando, James; Robertson, Corwin; Pearl, Katina; Dixon, Carline; Valcin, Martin; Bresnitz, Eddy

2007-02-01

The primary objective of this study was to evaluate a joint state and local government-sponsored potassium iodide (KI) distribution program in New Jersey. This program is part of a radiological emergency response system for residents living within the Emergency Planning Zones (EPZs) of nuclear power facilities. KI pills and an informational fact sheet were distributed locally at six different public clinics in the summer of 2002. In this study, a mailed survey was developed, pilot tested, and sent to the general public to assess knowledge about KI use. The survey consisted of two groups of people, those who attended a KI distribution clinic and those that did not attend a clinic. There was a statistically significant difference in knowledge among the two groups of survey respondents regarding KI prophylaxis, with a mean of 46% of survey questions answered correctly by those who attended a clinic vs. 15% by those who did not attend. Certain questions were problematic for the public to answer correctly and included potential low compliance with government instructions for taking KI, confusion regarding where the public can obtain KI pills during an emergency, and the lack of awareness on the proper use of KI for children, pregnant women, and persons over the age of 40 y. Additional outreach in these specific areas is warranted. This study also found that there was a highly variable geographic pattern of homes that have a supply of KI pills, with some areas having 60% of the households supplied with pills from the clinic while other areas had as low as 1% of the homes supplied with KI pills.

Dose estimation for nuclear power plant 4 accident in Taiwan at Fukushima nuclear meltdown emission level.

PubMed

Tang, Mei-Ling; Tsuang, Ben-Jei; Kuo, Pei-Hsuan

2016-05-01

An advanced Gaussian trajectory dispersion model is used to evaluate the evacuation zone due to a nuclear meltdown at the Nuclear Power Plant 4 (NPP4) in Taiwan, with the same emission level as that occurred at Fukushima nuclear meltdown (FNM) in 2011. Our study demonstrates that a FNM emission level would pollute 9% of the island's land area with annual effective dose ≥50 mSv using the meteorological data on 11 March 2011 in Taiwan. This high dose area is also called permanent evacuation zone (denoted as PEZ). The PEZ as well as the emergency-planning zone (EPZ) are found to be sensitive to meteorological conditions on the event. In a sunny day under the dominated NE wind conditions, the EPZ can be as far as 100 km with the first 7-day dose ≥20 mSv. Three hundred sixty-five daily events using the meteorological data from 11 March 2011 to 9 March 2012 are evaluated. It is found that the mean land area of Taiwan in becoming the PEZ is 11%. Especially, the probabilities of the northern counties/cities (Keelung, New Taipei, Taipei, Taoyuan, Hsinchu City, Hsinchu County and Ilan County) to be PEZs are high, ranging from 15% in Ilan County to 51% in Keelung City. Note that the total population of the above cities/counties is as high as 10 million people. Moreover, the western valleys of the Central Mountain Range are also found to be probable being PEZs, where all of the reservoirs in western Taiwan are located. For example, the probability can be as high as 3% in the far southern-most tip of Taiwan Island in Pingtung County. This shows that the entire populations in western Taiwan can be at risk due to the shortage of clean water sources under an event at FNM emission level, especially during the NE monsoon period. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

HLA-B*57:01 allele prevalence in HIV-infected North American subjects and the impact of allele testing on the incidence of abacavir-associated hypersensitivity reaction in HLA-B*57:01-negative subjects.

PubMed

Small, Catherine Butkus; Margolis, David A; Shaefer, Mark S; Ross, Lisa L

2017-04-11

The presence of the HLA-B*57:01 allele in HIV-infected subjects is associated with a higher risk of abacavir-associated hypersensitivity reaction (ABC HSR). HLA-B*57:01 allele prevalence varies in different populations, but HLA-B*57:01 testing with immunological confirmation has had a negative predictive value for ABC HSR between 97 and 100%. In the ASSURE study (EPZ113734), the HLA-B*57:01 prevalence in virologically suppressed, antiretroviral treatment-experienced, HIV-infected subjects from the United States, including Puerto Rico, was assessed. Three hundred eighty-five subjects were screened; 13 were HLA-B*57:01 positive and 372 were negative. Only HLA-B*57:01-negative, abacavir-naive subjects were eligible to enroll into the ASSURE trial. Eleven of the 13 subjects who possessed the HLA-B*57:01 allele were white, the other 2 were African-American. There was no geographic clustering of HLA-B*57:01-positive subjects, and the incidence correlated roughly with those states with the greatest numbers of subjects screened. Similarly, there was no statistically significant correlation between subjects who possessed or lacked the allele and age, gender, ethnicity or CD4+ T-cell numbers. The incidence of ABC HSR following abacavir initiation was also evaluated. Only 1 of 199 HLA-B*57:01-negative subjects (an African-American male) randomized to receive abacavir-containing treatment developed symptoms consistent with suspected ABC HSR; ABC HSR was not immunologically confirmed. These findings confirm the utility of HLA-B*57:01 allele testing to reduce the frequency of ABC HSR. The prevalence of HLA-B*57:01 positivity was higher in white than in African-American subjects. In HLA-B*57:01-negative subjects, suspected ABC HSR is very rare, but should lead to discontinuation of abacavir when ABC HSR cannot be definitively excluded from the differential diagnosis. The ASSURE (EPZ113734) study was registered on ClinicalTrials.gov registration on April 8th 2010 and the registration number is NCT01102972.

``Carbon Credits'' for Resource-Bounded Computations Using Amortised Analysis

NASA Astrophysics Data System (ADS)

Jost, Steffen; Loidl, Hans-Wolfgang; Hammond, Kevin; Scaife, Norman; Hofmann, Martin

Bounding resource usage is important for a number of areas, notably real-time embedded systems and safety-critical systems. In this paper, we present a fully automatic static type-based analysis for inferring upper bounds on resource usage for programs involving general algebraic datatypes and full recursion. Our method can easily be used to bound any countable resource, without needing to revisit proofs. We apply the analysis to the important metrics of worst-case execution time, stack- and heap-space usage. Our results from several realistic embedded control applications demonstrate good matches between our inferred bounds and measured worst-case costs for heap and stack usage. For time usage we infer good bounds for one application. Where we obtain less tight bounds, this is due to the use of software floating-point libraries.

Development and Application of Pyrolysis Gas Chromatography/Mass Spectrometry for the Analysis of Bound Trinitrotoluene Residues in Soil

USGS Publications Warehouse

Weiss, J.M.; Mckay, A.J.; Derito, C.; Watanabe, C.; Thorn, K.A.; Madsen, E.L.

2004-01-01

TNT (trinitrotoluene) is a contaminant of global environmental significance, yet determining its environmental fate has posed longstanding challenges. To date, only differential extraction-based approaches have been able to determine the presence of covalently bound, reduced forms of TNT in field soils. Here, we employed thermal elution, pyrolysis, and gas chromatography/mass spectrometry (GC/MS) to distinguish between covalently bound and noncovalently bound reduced forms of TNT in soil. Model soil organic matter-based matrixes were used to develop an assay in which noncovalently bound (monomeric) aminodinitrotoluene (ADNT) and diaminonitrotoluene (DANT) were desorbed from the matrix and analyzed at a lower temperature than covalently bound forms of these same compounds. A thermal desorption technique, evolved gas analysis, was initially employed to differentiate between covalently bound and added 15N-labeled monomeric compounds. A refined thermal elution procedure, termed "double-shot analysis" (DSA), allowed a sample to be sequentially analyzed in two phases. In phase 1, all of an added 15N-labeled monomeric contaminant was eluted from the sample at relatively low temperature. In phase 2 during high-temperature pyrolysis, the remaining covalently bound contaminants were detected. DSA analysis of soil from the Louisiana Army Ammunition Plant (LAAP; ???5000 ppm TNT) revealed the presence of DANT, ADNT, and TNT. After scrutinizing the DSA data and comparing them to results from solvent-extracted and base/acid-hydrolyzed LAAP soil, we concluded that the TNT was a noncovalently bound "carryover" from phase 1. Thus, the pyrolysis-GC/MS technique successfully defined covalently bound pools of ADNT and DANT in the field soil sample.

Adjustment of Adaptive Gain with Bounded Linear Stability Analysis to Improve Time-Delay Margin for Metrics-Driven Adaptive Control

NASA Technical Reports Server (NTRS)

Bakhtiari-Nejad, Maryam; Nguyen, Nhan T.; Krishnakumar, Kalmanje Srinvas

2009-01-01

This paper presents the application of Bounded Linear Stability Analysis (BLSA) method for metrics driven adaptive control. The bounded linear stability analysis method is used for analyzing stability of adaptive control models, without linearizing the adaptive laws. Metrics-driven adaptive control introduces a notion that adaptation should be driven by some stability metrics to achieve robustness. By the application of bounded linear stability analysis method the adaptive gain is adjusted during the adaptation in order to meet certain phase margin requirements. Analysis of metrics-driven adaptive control is evaluated for a linear damaged twin-engine generic transport model of aircraft. The analysis shows that the system with the adjusted adaptive gain becomes more robust to unmodeled dynamics or time delay.

Tight Bounds for Minimax Grid Matching, with Applications to the Average Case Analysis of Algorithms.

DTIC Science & Technology

1986-05-01

AD-ft?l 552 TIGHT BOUNDS FOR NININAX GRID MATCHING WITH i APPLICATIONS TO THE AVERAGE C.. (U) MASSACHUSETTS INST OF TECH CAMBRIDGE LAS FOR COMPUTER...MASSACHUSETTS LABORATORYFORNSTITUTE OF COMPUTER SCIENCE TECHNOLOGY MIT/LCS/TM-298 TIGHT BOUNDS FOR MINIMAX GRID MATCHING, WITH APPLICATIONS TO THE AVERAGE...PERIOD COVERED Tight bounds for minimax grid matching, Interim research with applications to the average case May 1986 analysis of algorithms. 6

Application of Bounded Linear Stability Analysis Method for Metrics-Driven Adaptive Control

NASA Technical Reports Server (NTRS)

Bakhtiari-Nejad, Maryam; Nguyen, Nhan T.; Krishnakumar, Kalmanje

2009-01-01

This paper presents the application of Bounded Linear Stability Analysis (BLSA) method for metrics-driven adaptive control. The bounded linear stability analysis method is used for analyzing stability of adaptive control models, without linearizing the adaptive laws. Metrics-driven adaptive control introduces a notion that adaptation should be driven by some stability metrics to achieve robustness. By the application of bounded linear stability analysis method the adaptive gain is adjusted during the adaptation in order to meet certain phase margin requirements. Analysis of metrics-driven adaptive control is evaluated for a second order system that represents a pitch attitude control of a generic transport aircraft. The analysis shows that the system with the metrics-conforming variable adaptive gain becomes more robust to unmodeled dynamics or time delay. The effect of analysis time-window for BLSA is also evaluated in order to meet the stability margin criteria.

Probabilistic Sensitivity Analysis with Respect to Bounds of Truncated Distributions (PREPRINT)

DTIC Science & Technology

2010-04-01

AFRL-RX-WP-TP-2010-4147 PROBABILISTIC SENSITIVITY ANALYSIS WITH RESPECT TO BOUNDS OF TRUNCATED DISTRIBUTIONS (PREPRINT) H. Millwater and...5a. CONTRACT NUMBER In-house 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 62102F 6. AUTHOR(S) H. Millwater and Y. Feng 5d. PROJECT...Z39-18 1 Probabilistic Sensitivity Analysis with respect to Bounds of Truncated Distributions H. Millwater and Y. Feng Department of Mechanical

The impact of a major earthquake on the evacuation of the emergency planning zone of a nuclear power plant.

PubMed

Cohen, Rebecca; Weinisch, Kevin

2015-01-01

United States regulations require nuclear power plants (NPPs) to estimate the time needed to evacuate the emergency planning zone (EPZ, a circle with an approximate 10-mile radius centered at the NPP). These evacuation time estimate (ETE) studies are to be used by emergency personnel in the event of a radiological emergency. ETE studies are typically done using traffic simulation and evacuation models, based on traffic engineering algorithms that reflect congestion and delay. ETE studies are typically conducted assuming all evacuation routes are traversable. As witnessed in the Great East Japan Earthquake in March 2011, an earthquake and the ensuing tsunami can cause an incident at a NPP that requires an evacuation of the public. The earthquake and tsunami can also damage many of the available bridges and roadways and, therefore, impede evacuation and put people at risk of radiation exposure. This article presents a procedure, using traffic simulation and evacuation models, to estimate the impact on ETE due to bridge and roadway damage caused by a major earthquake, or similar hazardous event. The results of this analysis are used by emergency personnel to make protective action decisions that will minimize the exposure of radiation to the public. Additionally, the results allow emergency planners to ensure proper equipment and personnel are available for these types of events. Emergency plans are revised to ensure prompt response and recovery action during critical times.

Low-dimensional Representation of Error Covariance

NASA Technical Reports Server (NTRS)

Tippett, Michael K.; Cohn, Stephen E.; Todling, Ricardo; Marchesin, Dan

2000-01-01

Ensemble and reduced-rank approaches to prediction and assimilation rely on low-dimensional approximations of the estimation error covariances. Here stability properties of the forecast/analysis cycle for linear, time-independent systems are used to identify factors that cause the steady-state analysis error covariance to admit a low-dimensional representation. A useful measure of forecast/analysis cycle stability is the bound matrix, a function of the dynamics, observation operator and assimilation method. Upper and lower estimates for the steady-state analysis error covariance matrix eigenvalues are derived from the bound matrix. The estimates generalize to time-dependent systems. If much of the steady-state analysis error variance is due to a few dominant modes, the leading eigenvectors of the bound matrix approximate those of the steady-state analysis error covariance matrix. The analytical results are illustrated in two numerical examples where the Kalman filter is carried to steady state. The first example uses the dynamics of a generalized advection equation exhibiting nonmodal transient growth. Failure to observe growing modes leads to increased steady-state analysis error variances. Leading eigenvectors of the steady-state analysis error covariance matrix are well approximated by leading eigenvectors of the bound matrix. The second example uses the dynamics of a damped baroclinic wave model. The leading eigenvectors of a lowest-order approximation of the bound matrix are shown to approximate well the leading eigenvectors of the steady-state analysis error covariance matrix.

Bounded Linear Stability Analysis - A Time Delay Margin Estimation Approach for Adaptive Control

NASA Technical Reports Server (NTRS)

Nguyen, Nhan T.; Ishihara, Abraham K.; Krishnakumar, Kalmanje Srinlvas; Bakhtiari-Nejad, Maryam

2009-01-01

This paper presents a method for estimating time delay margin for model-reference adaptive control of systems with almost linear structured uncertainty. The bounded linear stability analysis method seeks to represent the conventional model-reference adaptive law by a locally bounded linear approximation within a small time window using the comparison lemma. The locally bounded linear approximation of the combined adaptive system is cast in a form of an input-time-delay differential equation over a small time window. The time delay margin of this system represents a local stability measure and is computed analytically by a matrix measure method, which provides a simple analytical technique for estimating an upper bound of time delay margin. Based on simulation results for a scalar model-reference adaptive control system, both the bounded linear stability method and the matrix measure method are seen to provide a reasonably accurate and yet not too conservative time delay margin estimation.

Consistent Tolerance Bounds for Statistical Distributions

NASA Technical Reports Server (NTRS)

Mezzacappa, M. A.

1983-01-01

Assumption that sample comes from population with particular distribution is made with confidence C if data lie between certain bounds. These "confidence bounds" depend on C and assumption about distribution of sampling errors around regression line. Graphical test criteria using tolerance bounds are applied in industry where statistical analysis influences product development and use. Applied to evaluate equipment life.

Effect of the Microstructure on the Fracture Mode of Short-Fiber Reinforced Plastic Composites

NASA Astrophysics Data System (ADS)

Nishikawa, Masaaki; Okabe, Tomonaga; Takeda, Nobuo

A numerical simulation was presented to discuss the microscopic damage and its influence on the strength and energy-absorbing capability of short-fiber reinforced plastic composites. The dominant damage includes matrix crack and/or interfacial debonding, when the fibers are shorter than the critical length for fiber breakage. The simulation addressed the matrix crack with a continuum damage mechanics (CDM) model and the interfacial debonding with an embedded process zone (EPZ) model. Fictitious free-edge effects on the fracture modes were successfully eliminated with the periodic-cell simulation. The advantage of our simulation was pointed out by demonstrating that the simulation with edge effects significantly overestimates the dissipative energy of the composites. We then investigated the effect of the material microstructure on the fracture modes in the composites. The simulated results clarified that the inter-fiber distance affects the breaking strain of the composites and the fiber-orientation angle affects the position of the damage initiation. These factors influence the strength and energy-absorbing capability of short fiber-reinforced composites.

Dependence in probabilistic modeling Dempster-Shafer theory and probability bounds analysis

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

Ferson, Scott; Nelsen, Roger B.; Hajagos, Janos

2015-05-01

This report summarizes methods to incorporate information (or lack of information) about inter-variable dependence into risk assessments that use Dempster-Shafer theory or probability bounds analysis to address epistemic and aleatory uncertainty. The report reviews techniques for simulating correlated variates for a given correlation measure and dependence model, computation of bounds on distribution functions under a specified dependence model, formulation of parametric and empirical dependence models, and bounding approaches that can be used when information about the intervariable dependence is incomplete. The report also reviews several of the most pervasive and dangerous myths among risk analysts about dependence in probabilistic models.

Cost analysis of measles in refugees arriving at Los Angeles International Airport from Malaysia

PubMed Central

Coleman, Margaret S.; Burke, Heather M.; Welstead, Bethany L.; Mitchell, Tarissa; Taylor, Eboni M.; Shapovalov, Dmitry; Maskery, Brian A.; Joo, Heesoo; Weinberg, Michelle

2017-01-01

ABSTRACT Background On August 24, 2011, 31 US-bound refugees from Kuala Lumpur, Malaysia (KL) arrived in Los Angeles. One of them was diagnosed with measles post-arrival. He exposed others during a flight, and persons in the community while disembarking and seeking medical care. As a result, 9 cases of measles were identified. Methods We estimated costs of response to this outbreak and conducted a comparative cost analysis examining what might have happened had all US-bound refugees been vaccinated before leaving Malaysia. Results State-by-state costs differed and variously included vaccination, hospitalization, medical visits, and contact tracing with costs ranging from $621 to $35,115. The total of domestic and IOM Malaysia reported costs for US-bound refugees were $137,505 [range: $134,531 - $142,777 from a sensitivity analysis]. Had all US-bound refugees been vaccinated while in Malaysia, it would have cost approximately $19,646 and could have prevented 8 measles cases. Conclusion A vaccination program for US-bound refugees, supporting a complete vaccination for US-bound refugees, could improve refugees' health, reduce importations of vaccine-preventable diseases in the United States, and avert measles response activities and costs. PMID:28068211

Cost analysis of measles in refugees arriving at Los Angeles International Airport from Malaysia.

PubMed

Coleman, Margaret S; Burke, Heather M; Welstead, Bethany L; Mitchell, Tarissa; Taylor, Eboni M; Shapovalov, Dmitry; Maskery, Brian A; Joo, Heesoo; Weinberg, Michelle

2017-05-04

Background On August 24, 2011, 31 US-bound refugees from Kuala Lumpur, Malaysia (KL) arrived in Los Angeles. One of them was diagnosed with measles post-arrival. He exposed others during a flight, and persons in the community while disembarking and seeking medical care. As a result, 9 cases of measles were identified. Methods We estimated costs of response to this outbreak and conducted a comparative cost analysis examining what might have happened had all US-bound refugees been vaccinated before leaving Malaysia. Results State-by-state costs differed and variously included vaccination, hospitalization, medical visits, and contact tracing with costs ranging from $621 to $35,115. The total of domestic and IOM Malaysia reported costs for US-bound refugees were $137,505 [range: $134,531 - $142,777 from a sensitivity analysis]. Had all US-bound refugees been vaccinated while in Malaysia, it would have cost approximately $19,646 and could have prevented 8 measles cases. Conclusion A vaccination program for US-bound refugees, supporting a complete vaccination for US-bound refugees, could improve refugees' health, reduce importations of vaccine-preventable diseases in the United States, and avert measles response activities and costs.

Interactions between macromolecule-bound antioxidants and Trolox during liposome autoxidation: A multivariate approach.

PubMed

Çelik, Ecem Evrim; Rubio, Jose Manuel Amigo; Andersen, Mogens L; Gökmen, Vural

2017-12-15

The interactions between free and macromolecule-bound antioxidants were investigated in order to evaluate their combined effects on the antioxidant environment. Dietary fiber (DF), protein and lipid-bound antioxidants, obtained from whole wheat, soybean and olive oil products, respectively and Trolox were used for this purpose. Experimental studies were carried out in autoxidizing liposome medium by monitoring the development of fluorescent products formed by lipid oxidation. Chemometric methods were used both at experimental design and multivariate data analysis stages. Comparison of the simple addition effects of Trolox and bound antioxidants with measured values on lipid oxidation revealed synergetic interactions for DF and refined olive oil-bound antioxidants, and antagonistic interactions for protein and extra virgin olive oil-bound antioxidants with Trolox. A generalized version of logistic function was successfully used for modelling the oxidation curve of liposomes. Principal component analysis revealed two separate phases of liposome autoxidation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Ensemble-based characterization of unbound and bound states on protein energy landscape

PubMed Central

Ruvinsky, Anatoly M; Kirys, Tatsiana; Tuzikov, Alexander V; Vakser, Ilya A

2013-01-01

Physicochemical description of numerous cell processes is fundamentally based on the energy landscapes of protein molecules involved. Although the whole energy landscape is difficult to reconstruct, increased attention to particular targets has provided enough structures for mapping functionally important subspaces associated with the unbound and bound protein structures. The subspace mapping produces a discrete representation of the landscape, further called energy spectrum. We compiled and characterized ensembles of bound and unbound conformations of six small proteins and explored their spectra in implicit solvent. First, the analysis of the unbound-to-bound changes points to conformational selection as the binding mechanism for four proteins. Second, results show that bound and unbound spectra often significantly overlap. Moreover, the larger the overlap the smaller the root mean square deviation (RMSD) between the bound and unbound conformational ensembles. Third, the center of the unbound spectrum has a higher energy than the center of the corresponding bound spectrum of the dimeric and multimeric states for most of the proteins. This suggests that the unbound states often have larger entropy than the bound states. Fourth, the exhaustively long minimization, making small intrarotamer adjustments (all-atom RMSD ≤ 0.7 Å), dramatically reduces the distance between the centers of the bound and unbound spectra as well as the spectra extent. It condenses unbound and bound energy levels into a thin layer at the bottom of the energy landscape with the energy spacing that varies between 0.8–4.6 and 3.5–10.5 kcal/mol for the unbound and bound states correspondingly. Finally, the analysis of protein energy fluctuations showed that protein vibrations itself can excite the interstate transitions, including the unbound-to-bound ones. PMID:23526684

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

Azunre, P.

Here in this paper, two novel techniques for bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations are developed. The first provides a theorem to construct interval bounds, while the second provides a theorem to construct lower bounds convex and upper bounds concave in the parameter. The convex/concave bounds can be significantly tighter than the interval bounds because of the wrapping effect suffered by interval analysis in dynamical systems. Both types of bounds are computationally cheap to construct, requiring solving auxiliary systems twice and four times larger than the original system, respectively. An illustrative numerical examplemore » of bound construction and use for deterministic global optimization within a simple serial branch-and-bound algorithm, implemented numerically using interval arithmetic and a generalization of McCormick's relaxation technique, is presented. Finally, problems within the important class of reaction-diffusion systems may be optimized with these tools.« less

Performance bounds on parallel self-initiating discrete-event

NASA Technical Reports Server (NTRS)

Nicol, David M.

1990-01-01

The use is considered of massively parallel architectures to execute discrete-event simulations of what is termed self-initiating models. A logical process in a self-initiating model schedules its own state re-evaluation times, independently of any other logical process, and sends its new state to other logical processes following the re-evaluation. The interest is in the effects of that communication on synchronization. The performance is considered of various synchronization protocols by deriving upper and lower bounds on optimal performance, upper bounds on Time Warp's performance, and lower bounds on the performance of a new conservative protocol. The analysis of Time Warp includes the overhead costs of state-saving and rollback. The analysis points out sufficient conditions for the conservative protocol to outperform Time Warp. The analysis also quantifies the sensitivity of performance to message fan-out, lookahead ability, and the probability distributions underlying the simulation.

Bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations

DOE PAGES

Azunre, P.

2016-09-21

Here in this paper, two novel techniques for bounding the solutions of parametric weakly coupled second-order semilinear parabolic partial differential equations are developed. The first provides a theorem to construct interval bounds, while the second provides a theorem to construct lower bounds convex and upper bounds concave in the parameter. The convex/concave bounds can be significantly tighter than the interval bounds because of the wrapping effect suffered by interval analysis in dynamical systems. Both types of bounds are computationally cheap to construct, requiring solving auxiliary systems twice and four times larger than the original system, respectively. An illustrative numerical examplemore » of bound construction and use for deterministic global optimization within a simple serial branch-and-bound algorithm, implemented numerically using interval arithmetic and a generalization of McCormick's relaxation technique, is presented. Finally, problems within the important class of reaction-diffusion systems may be optimized with these tools.« less

Kinetics of removal of intravenous testosterone pulses in normal men.

PubMed

Veldhuis, Johannes D; Keenan, Daniel M; Liu, Peter Y; Takahashi, Paul Y

2010-04-01

Testosterone is secreted into the bloodstream episodically, putatively distributing into total, bioavailable (bio) nonsex hormone-binding globulin (nonSHBG-bound), and free testosterone moieties. The kinetics of total, bio, and free testosterone pulses are unknown. Design Adrenal and gonadal steroidogenesis was blocked pharmacologically, glucocorticoid was replaced, and testosterone was infused in pulses in four distinct doses in 14 healthy men under two different paradigms (a total of 220 testosterone pulses). Testosterone kinetics were assessed by deconvolution analysis of total, free, bioavailable, SHBG-bound, and albumin-bound testosterone concentration-time profiles. Independently of testosterone dose or paradigm, rapid-phase half-lives (min) of total, free, bioavailable, SHBG-bound, and albumin-bound testosterone were comparable at 1.4+/-0.22 min (grand mean+/-S.E.M. of geometric means). Slow-phase testosterone half-lives were highest for SHBG-bound testosterone (32 min) and total testosterone (27 min) with the former exceeding that of free testosterone (18 min), bioavailable testosterone (14 min), and albumin-bound testosterone (18 min; P<0.001). Collective outcomes indicate that i) the rapid phase of testosterone disappearance from point sampling in the circulation is not explained by testosterone dose; ii) SHBG-bound testosterone and total testosterone kinetics are prolonged; and iii) the half-lives of bioavailable, albumin-bound, and free testosterone are short. A frequent-sampling strategy comprising an experimental hormone clamp, estimation of hormone concentrations as bound and free moieties, mimicry of physiological pulses, and deconvolution analysis may have utility in estimating the in vivo kinetics of other hormones, substrates, and metabolites.

Offsite radiological consequence analysis for the bounding flammable gas accident

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

CARRO, C.A.

2003-03-19

The purpose of this analysis is to calculate the offsite radiological consequence of the bounding flammable gas accident. DOE-STD-3009-94, ''Preparation Guide for U.S. Department of Energy Nonreactor Nuclear Facility Documented Safety Analyses'', requires the formal quantification of a limited subset of accidents representing a complete set of bounding conditions. The results of these analyses are then evaluated to determine if they challenge the DOE-STD-3009-94, Appendix A, ''Evaluation Guideline,'' of 25 rem total effective dose equivalent in order to identify and evaluate safety class structures, systems, and components. The bounding flammable gas accident is a detonation in a single-shell tank (SST).more » A detonation versus a deflagration was selected for analysis because the faster flame speed of a detonation can potentially result in a larger release of respirable material. As will be shown, the consequences of a detonation in either an SST or a double-shell tank (DST) are approximately equal. A detonation in an SST was selected as the bounding condition because the estimated respirable release masses are the same and because the doses per unit quantity of waste inhaled are generally greater for SSTs than for DSTs. Appendix A contains a DST analysis for comparison purposes.« less

Robust Bounded Influence Tests in Linear Models

DTIC Science & Technology

1988-11-01

sensitivity analysis and bounded influence estimation. In: Evaluation of Econometric Models, J. Kmenta and J.B. Ramsey (eds.) Academic Press, New York...1R’OBUST bOUNDED INFLUENCE TESTS IN LINEA’ MODELS and( I’homas P. [lettmansperger* Tim [PennsylvanLa State UJniversity A M i0d fix pu111 rsos.p JJ 1 0...November 1988 ROBUST BOUNDED INFLUENCE TESTS IN LINEAR MODELS Marianthi Markatou The University of Iowa and Thomas P. Hettmansperger* The Pennsylvania

Curvature bound from gravitational catalysis

NASA Astrophysics Data System (ADS)

Gies, Holger; Martini, Riccardo

2018-04-01

We determine bounds on the curvature of local patches of spacetime from the requirement of intact long-range chiral symmetry. The bounds arise from a scale-dependent analysis of gravitational catalysis and its influence on the effective potential for the chiral order parameter, as induced by fermionic fluctuations on a curved spacetime with local hyperbolic properties. The bound is expressed in terms of the local curvature scalar measured in units of a gauge-invariant coarse-graining scale. We argue that any effective field theory of quantum gravity obeying this curvature bound is safe from chiral symmetry breaking through gravitational catalysis and thus compatible with the simultaneous existence of chiral fermions in the low-energy spectrum. With increasing number of dimensions, the curvature bound in terms of the hyperbolic scale parameter becomes stronger. Applying the curvature bound to the asymptotic safety scenario for quantum gravity in four spacetime dimensions translates into bounds on the matter content of particle physics models.

Out of Bounds: Innovation and Change in Law Enforcement Intelligence Analysis

DTIC Science & Technology

2006-03-01

Community capabilities for policy-level and operational consumers Out of Bounds: Innovation and Change in Law Enforcement Intelligence Analysis...31 4. What Works: Relationships and Sharing...will steer or fund these individuals into pursuing its goals.38 The growing need to understand the nature of low-level crime in relationship to terrorist

BOUNDS ON LEPTON FLAVOR CHANGING CURRENTS AND THE SOLAR NEUTRINO PUZZLE:. Bounds on Lepton Flavor Changing Currents

NASA Astrophysics Data System (ADS)

degl'Innocenti, Scilla; Ricci, Barbara

We present a phenomenological analysis of a lepton flavor changing current, considering the case of interactions among leptons which change the neutrino flavor and are diagonal in the charged lepton sector. In the case of νe↔νµ transition, we derive a bound on the vector coupling constant GV≤0.16 GF from experimental data on νµ-e scattering. For a transition νe↔νx, from (anti) νe-e scattering experiments and from the analysis of advanced stellar evolutionary phases, we find GV≤0.55 GF. We discuss the compatibility of these data with a possible explanation of the solar neutrino puzzle. We also analyze how the present bounds can be improved in future long baseline neutrino experiments and atmospheric neutrino detectors.

Adapting AlphaLISA high throughput screen to discover a novel small-molecule inhibitor targeting protein arginine methyltransferase 5 in pancreatic and colorectal cancers

PubMed Central

Prabhu, Lakshmi; Wei, Han; Chen, Lan; Demir, Özlem; Sandusky, George; Sun, Emily; Wang, John; Mo, Jessica; Zeng, Lifan; Fishel, Melissa; Safa, Ahmad; Amaro, Rommie; Korc, Murray; Zhang, Zhong-Yin; Lu, Tao

2017-01-01

Pancreatic ductal adenocarcinoma (PDAC) and colorectal cancer (CRC) are notoriously challenging for treatment. Hyperactive nuclear factor κB (NF-κB) is a common culprit in both cancers. Previously, we discovered that protein arginine methyltransferase 5 (PRMT5) methylated and activated NF-κB. Here, we show that PRMT5 is highly expressed in PDAC and CRC. Overexpression of PRMT5 promoted cancer progression, while shRNA knockdown showed an opposite effect. Using an innovative AlphaLISA high throughput screen, we discovered a lead compound, PR5-LL-CM01, which exhibited robust tumor inhibition effects in both cancers. An in silico structure prediction suggested that PR5-LL-CM01 inhibits PRMT5 by binding with its active pocket. Importantly, PR5-LL-CM01 showed higher anti-tumor efficacy than the commercial PRMT5 inhibitor, EPZ015666, in both PDAC and CRC. This study clearly highlights the significant potential of PRMT5 as a therapeutic target in PDAC and CRC, and establishes PR5-LL-CM01 as a promising basis for new drug development in the future. PMID:28591716

Homogenization-based interval analysis for structural-acoustic problem involving periodical composites and multi-scale uncertain-but-bounded parameters.

PubMed

Chen, Ning; Yu, Dejie; Xia, Baizhan; Liu, Jian; Ma, Zhengdong

2017-04-01

This paper presents a homogenization-based interval analysis method for the prediction of coupled structural-acoustic systems involving periodical composites and multi-scale uncertain-but-bounded parameters. In the structural-acoustic system, the macro plate structure is assumed to be composed of a periodically uniform microstructure. The equivalent macro material properties of the microstructure are computed using the homogenization method. By integrating the first-order Taylor expansion interval analysis method with the homogenization-based finite element method, a homogenization-based interval finite element method (HIFEM) is developed to solve a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters. The corresponding formulations of the HIFEM are deduced. A subinterval technique is also introduced into the HIFEM for higher accuracy. Numerical examples of a hexahedral box and an automobile passenger compartment are given to demonstrate the efficiency of the presented method for a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters.

Identification of aryl hydrocarbon receptor binding targets in mouse hepatic tissue treated with 2,3,7,8-tetrachlorodibenzo-p-dioxin

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

Lo, Raymond; Celius, Trine; Forgacs, Agnes L.

2011-11-15

Genome-wide, promoter-focused ChIP-chip analysis of hepatic aryl hydrocarbon receptor (AHR) binding sites was conducted in 8-week old female C57BL/6 treated with 30 {mu}g/kg/body weight 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) for 2 h and 24 h. These studies identified 1642 and 508 AHR-bound regions at 2 h and 24 h, respectively. A total of 430 AHR-bound regions were common between the two time points, corresponding to 403 unique genes. Comparison with previous AHR ChIP-chip studies in mouse hepatoma cells revealed that only 62 of the putative target genes overlapped with the 2 h AHR-bound regions in vivo. Transcription factor binding site analysis revealed anmore » over-representation of aryl hydrocarbon response elements (AHREs) in AHR-bound regions with 53% (2 h) and 68% (24 h) of them containing at least one AHRE. In addition to AHREs, E2f-Myc activator motifs previously implicated in AHR function, as well as a number of other motifs, including Sp1, nuclear receptor subfamily 2 factor, and early growth response factor motifs were also identified. Expression microarray studies identified 133 unique genes differentially regulated after 4 h treatment with TCDD. Of which, 39 were identified as AHR-bound genes at 2 h. Ingenuity Pathway Analysis on the 39 AHR-bound TCDD responsive genes identified potential perturbation in biological processes such as lipid metabolism, drug metabolism, and endocrine system development as a result of TCDD-mediated AHR activation. Our findings identify direct AHR target genes in vivo, highlight in vitro and in vivo differences in AHR signaling and show that AHR recruitment does not necessarily result in changes in target gene expression. -- Highlights: Black-Right-Pointing-Pointer ChIP-chip analysis of hepatic AHR binding after 2 h and 24 h of TCDD. Black-Right-Pointing-Pointer We identified 1642 and 508 AHR-bound regions at 2 h and 24 h. Black-Right-Pointing-Pointer 430 regions were common to both time points and highly enriched with AHREs. Black-Right-Pointing-Pointer Only 62 putative target regions overlapped AHR-bound regions in hepatoma cells. Black-Right-Pointing-Pointer Microarrays identified 133 TCDD-regulated genes; of which 39 were also bound by AHR.« less

Cell-bound lipases from Burkholderia sp. ZYB002: gene sequence analysis, expression, enzymatic characterization, and 3D structural model.

PubMed

Shu, Zhengyu; Lin, Hong; Shi, Shaolei; Mu, Xiangduo; Liu, Yanru; Huang, Jianzhong

2016-05-03

The whole-cell lipase from Burkholderia cepacia has been used as a biocatalyst in organic synthesis. However, there is no report in the literature on the component or the gene sequence of the cell-bound lipase from this species. Qualitative analysis of the cell-bound lipase would help to illuminate the regulation mechanism of gene expression and further improve the yield of the cell-bound lipase by gene engineering. Three predictive cell-bound lipases, lipA, lipC21 and lipC24, from Burkholderia sp. ZYB002 were cloned and expressed in E. coli. Both LipA and LipC24 displayed the lipase activity. LipC24 was a novel mesophilic enzyme and displayed preference for medium-chain-length acyl groups (C10-C14). The 3D structural model of LipC24 revealed the open Y-type active site. LipA displayed 96 % amino acid sequence identity with the known extracellular lipase. lipA-inactivation and lipC24-inactivation decreased the total cell-bound lipase activity of Burkholderia sp. ZYB002 by 42 % and 14 %, respectively. The cell-bound lipase activity from Burkholderia sp. ZYB002 originated from a multi-enzyme mixture with LipA as the main component. LipC24 was a novel lipase and displayed different enzymatic characteristics and structural model with LipA. Besides LipA and LipC24, other type of the cell-bound lipases (or esterases) should exist.

Identification of a Novel Protein Arginine Methyltransferase 5 Inhibitor in Non-small Cell Lung Cancer by Structure-Based Virtual Screening

PubMed Central

Wang, Qianqian; Xu, Jiahui; Li, Ying; Huang, Jumin; Jiang, Zebo; Wang, Yuwei; Liu, Liang; Leung, Elaine Lai Han; Yao, Xiaojun

2018-01-01

Protein arginine methyltransferase 5 (PRMT5) is able to regulate gene transcription by catalyzing the symmetrical dimethylation of arginine residue of histone, which plays a key role in tumorigenesis. Many efforts have been taken in discovering small-molecular inhibitors against PRMT5, but very few were reported and most of them were SAM-competitive. EPZ015666 is a recently reported PRMT5 inhibitor with a new binding site, which is different from S-adenosylmethionine (SAM)-binding pocket. This new binding site provides a new clue for the design and discovery of potent and specific PRMT5 inhibitors. In this study, the structure-based virtual screening targeting this site was firstly performed to identify potential PRMT5 inhibitors. Then, the bioactivity of the candidate compound was studied. MTT results showed that compound T1551 decreased cell viability of A549 and H460 non-small cell lung cancer cell lines. By inhibiting the methyltransferase activity of PRMT5, T1551 reduced the global level of H4R3 symmetric dimethylation (H4R3me2s). T1551 also downregulated the expression of oncogene FGFR3 and eIF4E, and disturbed the activation of related PI3K/AKT/mTOR and ERK signaling in A549 cell. Finally, we investigated the conformational spaces and identified collective motions important for description of T1551/PRMT5 complex by using molecular dynamics simulation and normal mode analysis methods. This study provides a novel non-SAM-competitive hit compound for developing small molecules targeting PRMT5 in non-small cell lung cancer. PMID:29545752

Identification of a Novel Protein Arginine Methyltransferase 5 Inhibitor in Non-small Cell Lung Cancer by Structure-Based Virtual Screening.

PubMed

Wang, Qianqian; Xu, Jiahui; Li, Ying; Huang, Jumin; Jiang, Zebo; Wang, Yuwei; Liu, Liang; Leung, Elaine Lai Han; Yao, Xiaojun

2018-01-01

Protein arginine methyltransferase 5 (PRMT5) is able to regulate gene transcription by catalyzing the symmetrical dimethylation of arginine residue of histone, which plays a key role in tumorigenesis. Many efforts have been taken in discovering small-molecular inhibitors against PRMT5, but very few were reported and most of them were SAM-competitive. EPZ015666 is a recently reported PRMT5 inhibitor with a new binding site, which is different from S-adenosylmethionine (SAM)-binding pocket. This new binding site provides a new clue for the design and discovery of potent and specific PRMT5 inhibitors. In this study, the structure-based virtual screening targeting this site was firstly performed to identify potential PRMT5 inhibitors. Then, the bioactivity of the candidate compound was studied. MTT results showed that compound T1551 decreased cell viability of A549 and H460 non-small cell lung cancer cell lines. By inhibiting the methyltransferase activity of PRMT5, T1551 reduced the global level of H4R3 symmetric dimethylation (H4R3me2s). T1551 also downregulated the expression of oncogene FGFR3 and eIF4E, and disturbed the activation of related PI3K/AKT/mTOR and ERK signaling in A549 cell. Finally, we investigated the conformational spaces and identified collective motions important for description of T1551/PRMT5 complex by using molecular dynamics simulation and normal mode analysis methods. This study provides a novel non-SAM-competitive hit compound for developing small molecules targeting PRMT5 in non-small cell lung cancer.

Bounded Linear Stability Margin Analysis of Nonlinear Hybrid Adaptive Control

NASA Technical Reports Server (NTRS)

Nguyen, Nhan T.; Boskovic, Jovan D.

2008-01-01

This paper presents a bounded linear stability analysis for a hybrid adaptive control that blends both direct and indirect adaptive control. Stability and convergence of nonlinear adaptive control are analyzed using an approximate linear equivalent system. A stability margin analysis shows that a large adaptive gain can lead to a reduced phase margin. This method can enable metrics-driven adaptive control whereby the adaptive gain is adjusted to meet stability margin requirements.

Improved bounds on the energy-minimizing strains in martensitic polycrystals

NASA Astrophysics Data System (ADS)

Peigney, Michaël

2016-07-01

This paper is concerned with the theoretical prediction of the energy-minimizing (or recoverable) strains in martensitic polycrystals, considering a nonlinear elasticity model of phase transformation at finite strains. The main results are some rigorous upper bounds on the set of energy-minimizing strains. Those bounds depend on the polycrystalline texture through the volume fractions of the different orientations. The simplest form of the bounds presented is obtained by combining recent results for single crystals with a homogenization approach proposed previously for martensitic polycrystals. However, the polycrystalline bound delivered by that procedure may fail to recover the monocrystalline bound in the homogeneous limit, as is demonstrated in this paper by considering an example related to tetragonal martensite. This motivates the development of a more detailed analysis, leading to improved polycrystalline bounds that are notably consistent with results for single crystals in the homogeneous limit. A two-orientation polycrystal of tetragonal martensite is studied as an illustration. In that case, analytical expressions of the upper bounds are derived and the results are compared with lower bounds obtained by considering laminate textures.

Error analysis of analytic solutions for self-excited near-symmetric rigid bodies - A numerical study

NASA Technical Reports Server (NTRS)

Kia, T.; Longuski, J. M.

1984-01-01

Analytic error bounds are presented for the solutions of approximate models for self-excited near-symmetric rigid bodies. The error bounds are developed for analytic solutions to Euler's equations of motion. The results are applied to obtain a simplified analytic solution for Eulerian rates and angles. The results of a sample application of the range and error bound expressions for the case of the Galileo spacecraft experiencing transverse torques demonstrate the use of the bounds in analyses of rigid body spin change maneuvers.

Stability of proton-bound clusters of alkyl alcohols, aldehydes and ketones in Ion Mobility Spectrometry.

PubMed

Jurado-Campos, Natividad; Garrido-Delgado, Rocío; Martínez-Haya, Bruno; Eiceman, Gary A; Arce, Lourdes

2018-08-01

Significant substances in emerging applications of ion mobility spectrometry such as breath analysis for clinical diagnostics and headspace analysis for food purity include low molar mass alcohols, ketones, aldehydes and esters which produce mobility spectra containing protonated monomers and proton-bound dimers. Spectra for all n- alcohols, aldehydes and ketones from carbon number three to eight exhibited protonated monomers and proton-bound dimers with ion drift times of 6.5-13.3 ms at ambient pressure and from 35° to 80 °C in nitrogen. Only n-alcohols from 1-pentanol to 1-octanol produced proton-bound trimers which were sufficiently stable to be observed at these temperatures and drift times of 12.8-16.3 ms. Polar functional groups were protected in compact structures in ab initio models for proton-bound dimers of alcohols, ketones and aldehydes. Only alcohols formed a V-shaped arrangement for proton-bound trimers strengthening ion stability and lifetime. In contrast, models for proton-bound trimers of aldehydes and ketones showed association of the third neutral through weak, non-specific, long-range interactions consistent with ion dissociation in the ion mobility drift tube before arriving at the detector. Collision cross sections derived from reduced mobility coefficients in nitrogen gas atmosphere support the predicted ion structures and approximate degrees of hydration. Copyright © 2018 Elsevier B.V. All rights reserved.

Safe, Multiphase Bounds Check Elimination in Java

DTIC Science & Technology

2010-01-28

production of mobile code from source code, JIT compilation in the virtual ma- chine, and application code execution. The code producer uses...invariants, and inequality constraint analysis) to identify and prove redundancy of bounds checks. During class-loading and JIT compilation, the virtual...unoptimized code if the speculated invariants do not hold. The combined effect of the multiple phases is to shift the effort as- sociated with bounds

Pre-impact fall detection system using dynamic threshold and 3D bounding box

NASA Astrophysics Data System (ADS)

Otanasap, Nuth; Boonbrahm, Poonpong

2017-02-01

Fall prevention and detection system have to subjugate many challenges in order to develop an efficient those system. Some of the difficult problems are obtrusion, occlusion and overlay in vision based system. Other associated issues are privacy, cost, noise, computation complexity and definition of threshold values. Estimating human motion using vision based usually involves with partial overlay, caused either by direction of view point between objects or body parts and camera, and these issues have to be taken into consideration. This paper proposes the use of dynamic threshold based and bounding box posture analysis method with multiple Kinect cameras setting for human posture analysis and fall detection. The proposed work only uses two Kinect cameras for acquiring distributed values and differentiating activities between normal and falls. If the peak value of head velocity is greater than the dynamic threshold value, bounding box posture analysis will be used to confirm fall occurrence. Furthermore, information captured by multiple Kinect placed in right angle will address the skeleton overlay problem due to single Kinect. This work contributes on the fusion of multiple Kinect based skeletons, based on dynamic threshold and bounding box posture analysis which is the only research work reported so far.

Genome-wide mapping and analysis of aryl hydrocarbon receptor (AHR)- and aryl hydrocarbon receptor repressor (AHRR)-binding sites in human breast cancer cells.

PubMed

Yang, Sunny Y; Ahmed, Shaimaa; Satheesh, Somisetty V; Matthews, Jason

2018-01-01

The aryl hydrocarbon receptor (AHR) mediates the toxic actions of environmental contaminants, such as 2,3,7,8-tetrachlorodibenzo-ρ-dioxin (TCDD), and also plays roles in vascular development, the immune response, and cell cycle regulation. The AHR repressor (AHRR) is an AHR-regulated gene and a negative regulator of AHR; however, the mechanisms of AHRR-dependent repression of AHR are unclear. In this study, we compared the genome-wide binding profiles of AHR and AHRR in MCF-7 human breast cancer cells treated for 24 h with TCDD using chromatin immunoprecipitation followed by next-generation sequencing (ChIP-Seq). We identified 3915 AHR- and 2811 AHRR-bound regions, of which 974 (35%) were common to both datasets. When these 24-h datasets were also compared with AHR-bound regions identified after 45 min of TCDD treatment, 67% (1884) of AHRR-bound regions overlapped with those of AHR. This analysis identified 994 unique AHRR-bound regions. AHRR-bound regions mapped closer to promoter regions when compared with AHR-bound regions. The AHRE was identified and overrepresented in AHR:AHRR-co-bound regions, AHR-only regions, and AHRR-only regions. Candidate unique AHR- and AHRR-bound regions were validated by ChIP-qPCR and their ability to regulate gene expression was confirmed by luciferase reporter gene assays. Overall, this study reveals that AHR and AHRR exhibit similar but also distinct genome-wide binding profiles, supporting the notion that AHRR is a context- and gene-specific repressor of AHR activity.

An analysis of spectral envelope-reduction via quadratic assignment problems

NASA Technical Reports Server (NTRS)

George, Alan; Pothen, Alex

1994-01-01

A new spectral algorithm for reordering a sparse symmetric matrix to reduce its envelope size was described. The ordering is computed by associating a Laplacian matrix with the given matrix and then sorting the components of a specified eigenvector of the Laplacian. In this paper, we provide an analysis of the spectral envelope reduction algorithm. We described related 1- and 2-sum problems; the former is related to the envelope size, while the latter is related to an upper bound on the work involved in an envelope Cholesky factorization scheme. We formulate the latter two problems as quadratic assignment problems, and then study the 2-sum problem in more detail. We obtain lower bounds on the 2-sum by considering a projected quadratic assignment problem, and then show that finding a permutation matrix closest to an orthogonal matrix attaining one of the lower bounds justifies the spectral envelope reduction algorithm. The lower bound on the 2-sum is seen to be tight for reasonably 'uniform' finite element meshes. We also obtain asymptotically tight lower bounds for the envelope size for certain classes of meshes.

Extracting Loop Bounds for WCET Analysis Using the Instrumentation Point Graph

NASA Astrophysics Data System (ADS)

Betts, A.; Bernat, G.

2009-05-01

Every calculation engine proposed in the literature of Worst-Case Execution Time (WCET) analysis requires upper bounds on loop iterations. Existing mechanisms to procure this information are either error prone, because they are gathered from the end-user, or limited in scope, because automatic analyses target very specific loop structures. In this paper, we present a technique that obtains bounds completely automatically for arbitrary loop structures. In particular, we show how to employ the Instrumentation Point Graph (IPG) to parse traces of execution (generated by an instrumented program) in order to extract bounds relative to any loop-nesting level. With this technique, therefore, non-rectangular dependencies between loops can be captured, allowing more accurate WCET estimates to be calculated. We demonstrate the improvement in accuracy by comparing WCET estimates computed through our HMB framework against those computed with state-of-the-art techniques.

Marathon: An Open Source Software Library for the Analysis of Markov-Chain Monte Carlo Algorithms

PubMed Central

Rechner, Steffen; Berger, Annabell

2016-01-01

We present the software library marathon, which is designed to support the analysis of sampling algorithms that are based on the Markov-Chain Monte Carlo principle. The main application of this library is the computation of properties of so-called state graphs, which represent the structure of Markov chains. We demonstrate applications and the usefulness of marathon by investigating the quality of several bounding methods on four well-known Markov chains for sampling perfect matchings and bipartite graphs. In a set of experiments, we compute the total mixing time and several of its bounds for a large number of input instances. We find that the upper bound gained by the famous canonical path method is often several magnitudes larger than the total mixing time and deteriorates with growing input size. In contrast, the spectral bound is found to be a precise approximation of the total mixing time. PMID:26824442

Atmospheric, Long Baseline, and Reactor Neutrino Data Constraints on θ13

NASA Astrophysics Data System (ADS)

Roa, J. E.; Latimer, D. C.; Ernst, D. J.

2009-08-01

An atmospheric neutrino oscillation tool that uses full three-neutrino oscillation probabilities and a full three-neutrino treatment of the Mikheyev-Smirnov-Wolfenstein effect, together with an analysis of the K2K, MINOS, and CHOOZ data, is used to examine the bounds on θ13. The recent, more finely binned, Super-K atmospheric data are employed. For L/Eν≳104km/GeV, we previously found significant linear in θ13 terms. This analysis finds θ13 bounded from above by the atmospheric data while bounded from below by CHOOZ. The origin of this result arises from data in the previously mentioned very long baseline region; here, matter effects conspire with terms linear in θ13 to produce asymmetric bounds on θ13. Assuming CP conservation, we find θ13=-0.07-0.11+0.18 (90% C.L.).

Atmospheric, long baseline, and reactor neutrino data constraints on theta_{13}.

PubMed

Roa, J E; Latimer, D C; Ernst, D J

2009-08-07

An atmospheric neutrino oscillation tool that uses full three-neutrino oscillation probabilities and a full three-neutrino treatment of the Mikheyev-Smirnov-Wolfenstein effect, together with an analysis of the K2K, MINOS, and CHOOZ data, is used to examine the bounds on theta_{13}. The recent, more finely binned, Super-K atmospheric data are employed. For L/E_{nu} greater, similar 10;{4} km/GeV, we previously found significant linear in theta_{13} terms. This analysis finds theta_{13} bounded from above by the atmospheric data while bounded from below by CHOOZ. The origin of this result arises from data in the previously mentioned very long baseline region; here, matter effects conspire with terms linear in theta_{13} to produce asymmetric bounds on theta_{13}. Assuming CP conservation, we find theta_{13} = -0.07_{-0.11};{+0.18} (90% C.L.).

Offsite Radiological Consequence Analysis for the Bounding Flammable Gas Accident

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

CARRO, C.A.

2003-07-30

This document quantifies the offsite radiological consequences of the bounding flammable gas accident for comparison with the 25 rem Evaluation Guideline established in DOE-STD-3009, Appendix A. The bounding flammable gas accident is a detonation in a single-shell tank The calculation applies reasonably conservation input parameters in accordance with DOE-STD-3009, Appendix A, guidance. Revision 1 incorporates comments received from Office of River Protection.

A new upper bound for the norm of interval matrices with application to robust stability analysis of delayed neural networks.

PubMed

Faydasicok, Ozlem; Arik, Sabri

2013-08-01

The main problem with the analysis of robust stability of neural networks is to find the upper bound norm for the intervalized interconnection matrices of neural networks. In the previous literature, the major three upper bound norms for the intervalized interconnection matrices have been reported and they have been successfully applied to derive new sufficient conditions for robust stability of delayed neural networks. One of the main contributions of this paper will be the derivation of a new upper bound for the norm of the intervalized interconnection matrices of neural networks. Then, by exploiting this new upper bound norm of interval matrices and using stability theory of Lyapunov functionals and the theory of homomorphic mapping, we will obtain new sufficient conditions for the existence, uniqueness and global asymptotic stability of the equilibrium point for the class of neural networks with discrete time delays under parameter uncertainties and with respect to continuous and slope-bounded activation functions. The results obtained in this paper will be shown to be new and they can be considered alternative results to previously published corresponding results. We also give some illustrative and comparative numerical examples to demonstrate the effectiveness and applicability of the proposed robust stability condition. Copyright © 2013 Elsevier Ltd. All rights reserved.

Upper and lower bounds of ground-motion variabilities: implication for source properties

NASA Astrophysics Data System (ADS)

Cotton, Fabrice; Reddy-Kotha, Sreeram; Bora, Sanjay; Bindi, Dino

2017-04-01

One of the key challenges of seismology is to be able to analyse the physical factors that control earthquakes and ground-motion variabilities. Such analysis is particularly important to calibrate physics-based simulations and seismic hazard estimations at high frequencies. Within the framework of the development of ground-motion prediction equation (GMPE) developments, ground-motions residuals (differences between recorded ground motions and the values predicted by a GMPE) are computed. The exponential growth of seismological near-source records and modern GMPE analysis technics allow to partition these residuals into between- and a within-event components. In particular, the between-event term quantifies all those repeatable source effects (e.g. related to stress-drop or kappa-source variability) which have not been accounted by the magnitude-dependent term of the model. In this presentation, we first discuss the between-event variabilities computed both in the Fourier and Response Spectra domains, using recent high-quality global accelerometric datasets (e.g. NGA-west2, Resorce, Kiknet). These analysis lead to the assessment of upper bounds for the ground-motion variability. Then, we compare these upper bounds with lower bounds estimated by analysing seismic sequences which occurred on specific fault systems (e.g., located in Central Italy or in Japan). We show that the lower bounds of between-event variabilities are surprisingly large which indicates a large variability of earthquake dynamic properties even within the same fault system. Finally, these upper and lower bounds of ground-shaking variability are discussed in term of variability of earthquake physical properties (e.g., stress-drop and kappa_source).

Location analysis for the estrogen receptor-α reveals binding to diverse ERE sequences and widespread binding within repetitive DNA elements

PubMed Central

Mason, Christopher E.; Shu, Feng-Jue; Wang, Cheng; Session, Ryan M.; Kallen, Roland G.; Sidell, Neil; Yu, Tianwei; Liu, Mei Hui; Cheung, Edwin; Kallen, Caleb B.

2010-01-01

Location analysis for estrogen receptor-α (ERα)-bound cis-regulatory elements was determined in MCF7 cells using chromatin immunoprecipitation (ChIP)-on-chip. Here, we present the estrogen response element (ERE) sequences that were identified at ERα-bound loci and quantify the incidence of ERE sequences under two stringencies of detection: <10% and 10–20% nucleotide deviation from the canonical ERE sequence. We demonstrate that ∼50% of all ERα-bound loci do not have a discernable ERE and show that most ERα-bound EREs are not perfect consensus EREs. Approximately one-third of all ERα-bound ERE sequences reside within repetitive DNA sequences, most commonly of the AluS family. In addition, the 3-bp spacer between the inverted ERE half-sites, rather than being random nucleotides, is C(A/T)G-enriched at bona fide receptor targets. Diverse ERα-bound loci were validated using electrophoretic mobility shift assay and ChIP-polymerase chain reaction (PCR). The functional significance of receptor-bound loci was demonstrated using luciferase reporter assays which proved that repetitive element ERE sequences contribute to enhancer function. ChIP-PCR demonstrated estrogen-dependent recruitment of the coactivator SRC3 to these loci in vivo. Our data demonstrate that ERα binds to widely variant EREs with less sequence specificity than had previously been suspected and that binding at repetitive and nonrepetitive genomic targets is favored by specific trinucleotide spacers. PMID:20047966

Location analysis for the estrogen receptor-alpha reveals binding to diverse ERE sequences and widespread binding within repetitive DNA elements.

PubMed

Mason, Christopher E; Shu, Feng-Jue; Wang, Cheng; Session, Ryan M; Kallen, Roland G; Sidell, Neil; Yu, Tianwei; Liu, Mei Hui; Cheung, Edwin; Kallen, Caleb B

2010-04-01

Location analysis for estrogen receptor-alpha (ERalpha)-bound cis-regulatory elements was determined in MCF7 cells using chromatin immunoprecipitation (ChIP)-on-chip. Here, we present the estrogen response element (ERE) sequences that were identified at ERalpha-bound loci and quantify the incidence of ERE sequences under two stringencies of detection: <10% and 10-20% nucleotide deviation from the canonical ERE sequence. We demonstrate that approximately 50% of all ERalpha-bound loci do not have a discernable ERE and show that most ERalpha-bound EREs are not perfect consensus EREs. Approximately one-third of all ERalpha-bound ERE sequences reside within repetitive DNA sequences, most commonly of the AluS family. In addition, the 3-bp spacer between the inverted ERE half-sites, rather than being random nucleotides, is C(A/T)G-enriched at bona fide receptor targets. Diverse ERalpha-bound loci were validated using electrophoretic mobility shift assay and ChIP-polymerase chain reaction (PCR). The functional significance of receptor-bound loci was demonstrated using luciferase reporter assays which proved that repetitive element ERE sequences contribute to enhancer function. ChIP-PCR demonstrated estrogen-dependent recruitment of the coactivator SRC3 to these loci in vivo. Our data demonstrate that ERalpha binds to widely variant EREs with less sequence specificity than had previously been suspected and that binding at repetitive and nonrepetitive genomic targets is favored by specific trinucleotide spacers.

LS Bound based gene selection for DNA microarray data.

PubMed

Zhou, Xin; Mao, K Z

2005-04-15

One problem with discriminant analysis of DNA microarray data is that each sample is represented by quite a large number of genes, and many of them are irrelevant, insignificant or redundant to the discriminant problem at hand. Methods for selecting important genes are, therefore, of much significance in microarray data analysis. In the present study, a new criterion, called LS Bound measure, is proposed to address the gene selection problem. The LS Bound measure is derived from leave-one-out procedure of LS-SVMs (least squares support vector machines), and as the upper bound for leave-one-out classification results it reflects to some extent the generalization performance of gene subsets. We applied this LS Bound measure for gene selection on two benchmark microarray datasets: colon cancer and leukemia. We also compared the LS Bound measure with other evaluation criteria, including the well-known Fisher's ratio and Mahalanobis class separability measure, and other published gene selection algorithms, including Weighting factor and SVM Recursive Feature Elimination. The strength of the LS Bound measure is that it provides gene subsets leading to more accurate classification results than the filter method while its computational complexity is at the level of the filter method. A companion website can be accessed at http://www.ntu.edu.sg/home5/pg02776030/lsbound/. The website contains: (1) the source code of the gene selection algorithm; (2) the complete set of tables and figures regarding the experimental study; (3) proof of the inequality (9). ekzmao@ntu.edu.sg.

Foot Loading Characteristics of Chinese Bound Feet Women: A Comparative Analysis

PubMed Central

Gu, Yaodong; Mei, Qichang; Fernandez, Justin; Li, Jianshe; Ren, Xuejun; Feng, Neng

2015-01-01

The custom of bound feet among Chinese women has existed for almost a century. This practice has influenced the daily life of Chinese women, especially during everyday locomotion. The primary aim of this study is to analyze the loading patterns of bound feet. Specifically, the plantar pressure and center of pressure were analyzed for peak pressure, contact area, force time integral, center of pressure displacement velocity and trajectory in the anterior-posterior direction via a comparison with normal feet. The key outcomes from this work were that the forefoot and rearfoot of bound feet bear the whole loading during stance phase. The center of pressure displacement velocity of bound feet was also greatly reduced with the shortening of trajectories. This suggests that the proprioceptive system adjusts motor function to adapt to new loading patterns while maintaining locomotive stability. A biomechanical understanding of bound feet may assist with prevention, treatment and rehabilitation of bound feet disorders. PMID:25884982

Continuous variable quantum key distribution: finite-key analysis of composable security against coherent attacks.

PubMed

Furrer, F; Franz, T; Berta, M; Leverrier, A; Scholz, V B; Tomamichel, M; Werner, R F

2012-09-07

We provide a security analysis for continuous variable quantum key distribution protocols based on the transmission of two-mode squeezed vacuum states measured via homodyne detection. We employ a version of the entropic uncertainty relation for smooth entropies to give a lower bound on the number of secret bits which can be extracted from a finite number of runs of the protocol. This bound is valid under general coherent attacks, and gives rise to keys which are composably secure. For comparison, we also give a lower bound valid under the assumption of collective attacks. For both scenarios, we find positive key rates using experimental parameters reachable today.

Towards a Certified Lightweight Array Bound Checker for Java Bytecode

NASA Technical Reports Server (NTRS)

Pichardie, David

2009-01-01

Dynamic array bound checks are crucial elements for the security of a Java Virtual Machines. These dynamic checks are however expensive and several static analysis techniques have been proposed to eliminate explicit bounds checks. Such analyses require advanced numerical and symbolic manipulations that 1) penalize bytecode loading or dynamic compilation, 2) complexify the trusted computing base. Following the Foundational Proof Carrying Code methodology, our goal is to provide a lightweight bytecode verifier for eliminating array bound checks that is both efficient and trustable. In this work, we define a generic relational program analysis for an imperative, stackoriented byte code language with procedures, arrays and global variables and instantiate it with a relational abstract domain as polyhedra. The analysis has automatic inference of loop invariants and method pre-/post-conditions, and efficient checking of analysis results by a simple checker. Invariants, which can be large, can be specialized for proving a safety policy using an automatic pruning technique which reduces their size. The result of the analysis can be checked efficiently by annotating the program with parts of the invariant together with certificates of polyhedral inclusions. The resulting checker is sufficiently simple to be entirely certified within the Coq proof assistant for a simple fragment of the Java bytecode language. During the talk, we will also report on our ongoing effort to scale this approach for the full sequential JVM.

On the likelihood of single-peaked preferences.

PubMed

Lackner, Marie-Louise; Lackner, Martin

2017-01-01

This paper contains an extensive combinatorial analysis of the single-peaked domain restriction and investigates the likelihood that an election is single-peaked. We provide a very general upper bound result for domain restrictions that can be defined by certain forbidden configurations. This upper bound implies that many domain restrictions (including the single-peaked restriction) are very unlikely to appear in a random election chosen according to the Impartial Culture assumption. For single-peaked elections, this upper bound can be refined and complemented by a lower bound that is asymptotically tight. In addition, we provide exact results for elections with few voters or candidates. Moreover, we consider the Pólya urn model and the Mallows model and obtain lower bounds showing that single-peakedness is considerably more likely to appear for certain parameterizations.

Dynamic Studies of Struve Double Stars: STF4 and STF 236AB Appear Gravitationally Bound

NASA Astrophysics Data System (ADS)

Wiley, E. O.; Rica, F. M.

2015-01-01

Dynamics of two Struve double stars, WDS 00099+0827 (STF 4) and WDS 02556+2652 (STF 326 AB) are analyzed using astrometric criteria to determine their natures as gravitationally bound or unbound systems. If gravitationally bound, then observed relative velocity will be within limits according to the orbital energy conservation equation. Full implementation of this criterion was possible because the relative radial velocities as well as proper motions have been estimated. Other physical parameters were taken from literature or estimated using published protocols. Monte Carlo analysis indicates that both pairs have a high probability of being gravitationally bound and thus are long-period binaries.

Estimating earthquake location and magnitude from seismic intensity data

USGS Publications Warehouse

Bakun, W.H.; Wentworth, C.M.

1997-01-01

Analysis of Modified Mercalli intensity (MMI) observations for a training set of 22 California earthquakes suggests a strategy for bounding the epicentral region and moment magnitude M from MMI observations only. We define an intensity magnitude MI that is calibrated to be equal in the mean to M. MI = mean (Mi), where Mi = (MMIi + 3.29 + 0.0206 * ??i)/1.68 and ??i is the epicentral distance (km) of observation MMIi. The epicentral region is bounded by contours of rms [MI] = rms (MI - Mi) - rms0 (MI - Mi-), where rms is the root mean square, rms0 (MI - Mi) is the minimum rms over a grid of assumed epicenters, and empirical site corrections and a distance weighting function are used. Empirical contour values for bounding the epicenter location and empirical bounds for M estimated from MI appropriate for different levels of confidence and different quantities of intensity observations are tabulated. The epicentral region bounds and MI obtained for an independent test set of western California earthquakes are consistent with the instrumental epicenters and moment magnitudes of these earthquakes. The analysis strategy is particularly appropriate for the evaluation of pre-1900 earthquakes for which the only available data are a sparse set of intensity observations.

Hydroxycinnamic acid bound arabinoxylans from millet brans-structural features and antioxidant activity.

PubMed

Bijalwan, Vandana; Ali, Usman; Kesarwani, Atul Kumar; Yadav, Kamalendra; Mazumder, Koushik

2016-07-01

Hydroxycinnamic acid bound arabinoxylans (HCA-AXs) were extracted from brans of five Indian millet varieties and response surface methodology was used to optimize the extraction conditions. The optimal condition to obtain highest yield of millet HCA-AXs was determined as follows: time 61min, temperature 66°C, ratio of solvent to sample 12ml/g. Linkage analysis indicated that hydroxycinnamic acid bound arabinoxylan from kodo millet (KM-HCA-AX) contained comparatively low branched arabinoxylan consisting of 14.6% mono-substituted, 1.2% di-substituted and 41.2% un-substituted Xylp residues. The HPLC analysis of millet HCA-AXs showed significant variation in the content of three major bound hydroxycinnamic acids (caffeic, p-coumaric and ferulic acid). The antioxidant activity of millet HCA-AXs were evaluated using three in vitro assay methods (DPPH, FRAP and β-carotene linoleate emulsion assays) which suggested both phenolic acid composition and structural characteristics of arabinoxylans could be correlated to their antioxidant potential, the detailed structural analysis revealed that low substituted KM-HCA-AX exhibited relatively higher antioxidant activity compared to other medium and highly substituted HCA-AXs from finger (FM), proso (PM), barnyard (BM) and foxtail (FOXM) millet. Copyright © 2016. Published by Elsevier B.V.

Time domain reflectometry waveform analysis with second order bounded mean oscillation

USDA-ARS?s Scientific Manuscript database

Tangent-line methods and adaptive waveform interpretation with Gaussian filtering (AWIGF) have been proposed for determining reflection positions of time domain reflectometry (TDR) waveforms. However, the accuracy of those methods is limited for short probe TDR sensors. Second order bounded mean osc...

Improved key-rate bounds for practical decoy-state quantum-key-distribution systems

NASA Astrophysics Data System (ADS)

Zhang, Zhen; Zhao, Qi; Razavi, Mohsen; Ma, Xiongfeng

2017-01-01

The decoy-state scheme is the most widely implemented quantum-key-distribution protocol in practice. In order to account for the finite-size key effects on the achievable secret key generation rate, a rigorous statistical fluctuation analysis is required. Originally, a heuristic Gaussian-approximation technique was used for this purpose, which, despite its analytical convenience, was not sufficiently rigorous. The fluctuation analysis has recently been made rigorous by using the Chernoff bound. There is a considerable gap, however, between the key-rate bounds obtained from these techniques and that obtained from the Gaussian assumption. Here we develop a tighter bound for the decoy-state method, which yields a smaller failure probability. This improvement results in a higher key rate and increases the maximum distance over which secure key exchange is possible. By optimizing the system parameters, our simulation results show that our method almost closes the gap between the two previously proposed techniques and achieves a performance similar to that of conventional Gaussian approximations.

Exact synchronization bound for coupled time-delay systems.

PubMed

Senthilkumar, D V; Pesquera, Luis; Banerjee, Santo; Ortín, Silvia; Kurths, J

2013-04-01

We obtain an exact bound for synchronization in coupled time-delay systems using the generalized Halanay inequality for the general case of time-dependent delay, coupling, and coefficients. Furthermore, we show that the same analysis is applicable to both uni- and bidirectionally coupled time-delay systems with an appropriate evolution equation for their synchronization manifold, which can also be defined for different types of synchronization. The exact synchronization bound assures an exponential stabilization of the synchronization manifold which is crucial for applications. The analytical synchronization bound is independent of the nature of the modulation and can be applied to any time-delay system satisfying a Lipschitz condition. The analytical results are corroborated numerically using the Ikeda system.

Butyrophenone on O-TiO2(110): one-dimensional motion in a weakly confined potential well.

PubMed

Jensen, Stephen C; Shank, Alex; Madix, Robert J; Friend, Cynthia M

2012-04-24

We demonstrate the one-dimensional confinement of weakly bound butyrophenone molecules between strongly bound complexes formed via reaction with oxygen on TiO(2)(110). Butyrophenone weakly bound to Ti rows through the carbonyl oxygen diffuses freely in one dimension along the rows even at 55 K, persisting for many minutes before hopping out of the 1-D well. Quantitative analysis yields an estimate of the migration barrier of 0.11 eV and a frequency factor of 6.5 × 10(9) Hz. These studies demonstrate that weakly bound organic molecules can be confined on a surface by creating molecular barriers, potentially altering their assembly.

Magnetoconductance signatures of chiral domain-wall bound states in magnetic topological insulators

NASA Astrophysics Data System (ADS)

Tiwari, Kunal L.; Coish, W. A.; Pereg-Barnea, T.

2017-12-01

Recent magnetoconductance measurements performed on magnetic topological insulator candidates have revealed butterfly-shaped hysteresis. This hysteresis has been attributed to the formation of gapless chiral domain-wall bound states during a magnetic-field sweep. We treat this phenomenon theoretically, providing a link between microscopic magnetization dynamics and butterfly hysteresis in magnetoconductance. Further, we illustrate how a spatially resolved conductance measurement can probe the most striking feature of the domain-wall bound states: their chirality. This work establishes a regime where a definitive link between butterfly hysteresis in longitudinal magneto-conductance and domain-wall bound states can be made. This analysis provides an important tool for the identification of magnetic topological insulators.

Honors Dissertation Abstracts: A Bounded Qualitative Meta-Study

ERIC Educational Resources Information Center

Holman, Debra K.; Banning, James H.

2012-01-01

A potential source of useful information about undergraduate honors education can be found in doctoral dissertation abstracts that focus on honors. Debra Holman and James Banning of Colorado State University sought to explore this resource by undertaking a bounded qualitative meta-study of such abstracts using document analysis. Three…

The single NqrB and NqrC subunits in the Na(+)-translocating NADH: quinone oxidoreductase (Na(+)-NQR) from Vibrio cholerae each carry one covalently attached FMN.

PubMed

Casutt, Marco S; Schlosser, Andreas; Buckel, Wolfgang; Steuber, Julia

2012-10-01

The Na(+)-translocating NADH:quinone oxidoreductase (Na(+)-NQR) is the prototype of a novel class of flavoproteins carrying a riboflavin phosphate bound to serine or threonine by a phosphodiester bond to the ribityl side chain. This membrane-bound, respiratory complex also contains one non-covalently bound FAD, one non-covalently bound riboflavin, ubiquinone-8 and a [2Fe-2S] cluster. Here, we report the quantitative analysis of the full set of flavin cofactors in the Na(+)-NQR and characterize the mode of linkage of the riboflavin phosphate to the membrane-bound NqrB and NqrC subunits. Release of the flavin by β-elimination and analysis of the cofactor demonstrates that the phosphate group is attached at the 5'-position of the ribityl as in authentic FMN and that the Na(+)-NQR contains approximately 1.7mol covalently bound FMN per mol non-covalently bound FAD. Therefore, each of the single NqrB and NqrC subunits in the Na(+)-NQR carries a single FMN. Elimination of the phosphodiester bond yields a dehydro-2-aminobutyrate residue, which is modified with β-mercaptoethanol by Michael addition. Proteolytic digestion followed by mass determination of peptide fragments reveals exclusive modification of threonine residues, which carry FMN in the native enzyme. The described reactions allow quantification and localization of the covalently attached FMNs in the Na(+)-NQR and in related proteins belonging to the Rhodobacter nitrogen fixation (RNF) family of enzymes. This article is part of a Special Issue entitled: 17th European Bioenergetics Conference (EBEC 2012). Copyright © 2012 Elsevier B.V. All rights reserved.

Single-particle trajectories reveal two-state diffusion-kinetics of hOGG1 proteins on DNA.

PubMed

Vestergaard, Christian L; Blainey, Paul C; Flyvbjerg, Henrik

2018-03-16

We reanalyze trajectories of hOGG1 repair proteins diffusing on DNA. A previous analysis of these trajectories with the popular mean-squared-displacement approach revealed only simple diffusion. Here, a new optimal estimator of diffusion coefficients reveals two-state kinetics of the protein. A simple, solvable model, in which the protein randomly switches between a loosely bound, highly mobile state and a tightly bound, less mobile state is the simplest possible dynamic model consistent with the data. It yields accurate estimates of hOGG1's (i) diffusivity in each state, uncorrupted by experimental errors arising from shot noise, motion blur and thermal fluctuations of the DNA; (ii) rates of switching between states and (iii) rate of detachment from the DNA. The protein spends roughly equal time in each state. It detaches only from the loosely bound state, with a rate that depends on pH and the salt concentration in solution, while its rates for switching between states are insensitive to both. The diffusivity in the loosely bound state depends primarily on pH and is three to ten times higher than in the tightly bound state. We propose and discuss some new experiments that take full advantage of the new tools of analysis presented here.

Position Extrema in Keplerian Relative Motion: A Gröbner Basis Approach

NASA Astrophysics Data System (ADS)

Allgeier, Shawn E.; Fitz-Coy, Norman G.; Erwin, R. Scott

2012-12-01

This paper analyzes the relative motion between two spacecraft in orbit. Specifically, the paper provides bounds for relative spacecraft position-based measures which impact spacecraft formation-flight mission design and analysis. Previous efforts have provided bounds for the separation distance between two spacecraft. This paper presents a methodology for bounding the local vertical, horizontal, and cross track components of the relative position vector in a spacecraft centered, rotating reference frame. Three metrics are derived and a methodology for bounding them is presented. The solution of the extremal equations for the metrics is formulated as an affine variety and obtained using a Gröbner basis reduction. No approximations are utilized and the only assumption is that the two spacecraft are in bound Keplerian orbits. Numerical examples are included to demonstrate the efficacy of the method. The metrics have utility to the mission designer of formation flight architectures, with relevance to Earth observation constellations.

Long-distance measurement-device-independent quantum key distribution with coherent-state superpositions.

PubMed

Yin, H-L; Cao, W-F; Fu, Y; Tang, Y-L; Liu, Y; Chen, T-Y; Chen, Z-B

2014-09-15

Measurement-device-independent quantum key distribution (MDI-QKD) with decoy-state method is believed to be securely applied to defeat various hacking attacks in practical quantum key distribution systems. Recently, the coherent-state superpositions (CSS) have emerged as an alternative to single-photon qubits for quantum information processing and metrology. Here, in this Letter, CSS are exploited as the source in MDI-QKD. We present an analytical method that gives two tight formulas to estimate the lower bound of yield and the upper bound of bit error rate. We exploit the standard statistical analysis and Chernoff bound to perform the parameter estimation. Chernoff bound can provide good bounds in the long-distance MDI-QKD. Our results show that with CSS, both the security transmission distance and secure key rate are significantly improved compared with those of the weak coherent states in the finite-data case.

On Time Delay Margin Estimation for Adaptive Control and Optimal Control Modification

NASA Technical Reports Server (NTRS)

Nguyen, Nhan T.

2011-01-01

This paper presents methods for estimating time delay margin for adaptive control of input delay systems with almost linear structured uncertainty. The bounded linear stability analysis method seeks to represent an adaptive law by a locally bounded linear approximation within a small time window. The time delay margin of this input delay system represents a local stability measure and is computed analytically by three methods: Pade approximation, Lyapunov-Krasovskii method, and the matrix measure method. These methods are applied to the standard model-reference adaptive control, s-modification adaptive law, and optimal control modification adaptive law. The windowing analysis results in non-unique estimates of the time delay margin since it is dependent on the length of a time window and parameters which vary from one time window to the next. The optimal control modification adaptive law overcomes this limitation in that, as the adaptive gain tends to infinity and if the matched uncertainty is linear, then the closed-loop input delay system tends to a LTI system. A lower bound of the time delay margin of this system can then be estimated uniquely without the need for the windowing analysis. Simulation results demonstrates the feasibility of the bounded linear stability method for time delay margin estimation.

Predicting Short-Term Remembering as Boundedly Optimal Strategy Choice.

PubMed

Howes, Andrew; Duggan, Geoffrey B; Kalidindi, Kiran; Tseng, Yuan-Chi; Lewis, Richard L

2016-07-01

It is known that, on average, people adapt their choice of memory strategy to the subjective utility of interaction. What is not known is whether an individual's choices are boundedly optimal. Two experiments are reported that test the hypothesis that an individual's decisions about the distribution of remembering between internal and external resources are boundedly optimal where optimality is defined relative to experience, cognitive constraints, and reward. The theory makes predictions that are tested against data, not fitted to it. The experiments use a no-choice/choice utility learning paradigm where the no-choice phase is used to elicit a profile of each participant's performance across the strategy space and the choice phase is used to test predicted choices within this space. They show that the majority of individuals select strategies that are boundedly optimal. Further, individual differences in what people choose to do are successfully predicted by the analysis. Two issues are discussed: (a) the performance of the minority of participants who did not find boundedly optimal adaptations, and (b) the possibility that individuals anticipate what, with practice, will become a bounded optimal strategy, rather than what is boundedly optimal during training. Copyright © 2015 Cognitive Science Society, Inc.

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

Oberkampf, William Louis; Tucker, W. Troy; Zhang, Jianzhong

This report summarizes methods to incorporate information (or lack of information) about inter-variable dependence into risk assessments that use Dempster-Shafer theory or probability bounds analysis to address epistemic and aleatory uncertainty. The report reviews techniques for simulating correlated variates for a given correlation measure and dependence model, computation of bounds on distribution functions under a specified dependence model, formulation of parametric and empirical dependence models, and bounding approaches that can be used when information about the intervariable dependence is incomplete. The report also reviews several of the most pervasive and dangerous myths among risk analysts about dependence in probabilistic models.

Clopper-Pearson bounds from HEP data cuts

NASA Astrophysics Data System (ADS)

Berg, B. A.

2001-08-01

For the measurement of Ns signals in N events rigorous confidence bounds on the true signal probability pexact were established in a classical paper by Clopper and Pearson [Biometrica 26, 404 (1934)]. Here, their bounds are generalized to the HEP situation where cuts on the data tag signals with probability Ps and background data with likelihood Pb

Photoexcited escape probability, optical gain, and noise in quantum well infrared photodetectors

NASA Technical Reports Server (NTRS)

Levine, B. F.; Zussman, A.; Gunapala, S. D.; Asom, M. T.; Kuo, J. M.; Hobson, W. S.

1992-01-01

We present a detailed and thorough study of a wide variety of quantum well infrared photodetectors (QWIPs), which were chosen to have large differences in their optical and transport properties. Both n- and p-doped QWIPs, as well as intersubband transitions based on photoexcitation from bound-to-bound, bound-to-quasi-continuum, and bound-to-continuum quantum well states were investigated. The measurements and theoretical analysis included optical absorption, responsivity, dark current, current noise, optical gain, hot carrier mean free path; net quantum efficiency, quantum well escape probability, quantum well escape time, as well as detectivity. These results allow a better understanding of the optical and transport physics and thus a better optimization of the QWIP performance.

Does Private Tutoring Work? The Effectiveness of Private Tutoring: A Nonparametric Bounds Analysis

ERIC Educational Resources Information Center

Hof, Stefanie

2014-01-01

Private tutoring has become popular throughout the world. However, evidence for the effect of private tutoring on students' academic outcome is inconclusive; therefore, this paper presents an alternative framework: a nonparametric bounds method. The present examination uses, for the first time, a large representative data-set in a European setting…

A New Phenomenon in Saudi Females' Code-Switching: A Morphemic Analysis

ERIC Educational Resources Information Center

Turjoman, Mona O.

2016-01-01

This sociolinguistics study investigates a new phenomenon that has recently surfaced in the field of code-switching among Saudi females residing in the Western region of Saudi Arabia. This phenomenon basically combines bound Arabic pronouns, tense markers or definite article to English free morphemes or the combination of bound English affixes to…

Gateways, Not Gatekeepers

ERIC Educational Resources Information Center

Murray, Linda

2012-01-01

In its analysis of more than 15,000 high school transcripts, the Education Trust-West found that non-college-bound students tend to take a weak academic load and disconnected electives. As a result, far too many students--most often low-income students and students of color--are bound for low-level jobs, prepared for neither college nor career.…

College Housing Dissertations: A Bounded Qualitative Meta-Study

ERIC Educational Resources Information Center

Banning, James H.; Kuk, Linda

2011-01-01

The purpose of this study was to examine dissertations that were published in the U.S. during the past 5 years that related to collegiate housing. The dissertations were examined using a bounded qualitative meta-analysis approach. Each dissertation was examined using three questions: What were the methods/attributes of the research? What were the…

RAMAN SPECTRAL CLASSIFICATION OF MINERAL- AND COLLAGEN-BOUND WATER’S ASSOCIATIONS TO ELASTIC AND POST-YIELD MECHANICAL PROPERTIES OF CORTICAL BONE

PubMed Central

Unal, Mustafa; Akkus, Ozan

2015-01-01

Water that is bound to bone’s matrix is implied as a predictor of fracture resistance; however, bound water is an elusive variable to be measured nondestructively. To date, the only nondestructive method used for studying bone hydration status is magnetic resonance variants (NMR or MRI). For the first time, bone hydration status was studied by short-wave infrared (SWIR) Raman spectroscopy to investigate associations of mineral-bound and collagen-bound water compartments with mechanical properties. Thirty cortical bone samples were used for quantitative Raman-based water analysis, gravimetric analysis, porosity measurement, and biomechanical testing. A sequential dehydration protocol was developed to replace unbound (heat drying) and bound (ethanol treatment) water in bone. Raman spectra were collected serially to track the OH-stretch band during dehydration. Four previously identified peaks were investigated: I3220/I2949, I3325/I2949 and I3453/I2949 reflect status of organic-matrix related water (mostly collagen-related water) compartments and collagen portion of bone while I3584/I2949 reflects status of mineral-related water compartments and mineral portion of bone. These spectroscopic biomarkers were correlated with elastic and post-yield mechanical properties of bone. Collagen-water related biomarkers (I3220/I2949 and I3325/I2949) correlated significantly and positively with toughness (R2=0.81 and R2=0.79; p<0.001) and post-yield toughness (R2=0.65 and R2=0.73; p<0.001). Mineral-water related biomarker correlated significantly and negatively with elastic modulus (R2=0.78; p<0.001) and positively with strength (R2=0.46; p < 0.001). While MR-based techniques have been useful in measuring unbound and bound water, this is the first study which probed bound-water compartments differentially for collagen and mineral-bound water. For the first time, we showed an evidence for contributions of different bound-water compartments to mechanical properties of wet bone and the reported correlations of Raman-based water measurements to mechanical properties underline the necessity for enabling approaches to assess these new biomarkers noninvasively in vivo to improve the current diagnosis of those who may be at risk of bone fracture due to aging and diseases. PMID:26211992

Thermal-hydraulic analysis of N Reactor graphite and shield cooling system performance

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

Low, J.O.; Schmitt, B.E.

1988-02-01

A series of bounding (worst-case) calculations were performed using a detailed hydrodynamic RELAP5 model of the N Reactor graphite and shield cooling system (GSCS). These calculations were specifically aimed to answer issues raised by the Westinghouse Independent Safety Review (WISR) committee. These questions address the operability of the GSCS during a worst-case degraded-core accident that requires the GDCS to mitigate the consequences of the accident. An accident scenario previously developed was designed as the hydrogen-mitigation design-basis accident (HMDBA). Previous HMDBA heat transfer analysis,, using the TRUMP-BD code, was used to define the thermal boundary conditions that the GSDS may bemore » exposed to. These TRUMP/HMDBA analysis results were used to define the bounding operating conditions of the GSCS during the course of an HMDBA transient. Nominal and degraded GSCS scenarios were investigated using RELAP5 within or at the bounds of the HMDBA transient. 10 refs., 42 figs., 10 tabs.« less

A simplified analysis of the multigrid V-cycle as a fast elliptic solver

NASA Technical Reports Server (NTRS)

Decker, Naomi H.; Taasan, Shlomo

1988-01-01

For special model problems, Fourier analysis gives exact convergence rates for the two-grid multigrid cycle and, for more general problems, provides estimates of the two-grid convergence rates via local mode analysis. A method is presented for obtaining mutigrid convergence rate estimates for cycles involving more than two grids (using essentially the same analysis as for the two-grid cycle). For the simple cast of the V-cycle used as a fast Laplace solver on the unit square, the k-grid convergence rate bounds obtained by this method are sharper than the bounds predicted by the variational theory. Both theoretical justification and experimental evidence are presented.

Mechanism insights into bio-floc bound water transformation based on synchrotron X-ray computed microtomography and viscoelastic acoustic response analysis.

PubMed

Wu, Boran; Zhou, Meng; Dai, Xiaohu; Chai, Xiaoli

2018-06-05

This study visually tracked the micro-spatial water distribution in bio-flocs of waste activated sludge through in situ synchrotron X-ray computed microtomography. Primarily, the two fractions of bound water, the vicinal water adhering to the surface of organic compositions and the interstitial water mechanically trapped in the net-like structure of bio-flocs, were proposed based on the cross-section imaging results. Furthermore, the determinants on bound water occurrences were explored in terms of viscoelastic acoustic responses of extracellular polymeric substances (EPS). The joint roles of hydrophilic substance removal, EPS aggregation compaction and colloidal instability of sludge flocs in bound water reduction were confirmed by the strong correlations (Pearson correlation coefficient, R p  > 0.95, p-value<0.04) among protein levels of EPS, EPS viscosity and bound water contents. Accordingly, providing adhering sites for vicinal water and forming bio-flocs with high viscosity for trapping interstitial water were proposed to be the contributions of EPS on bound water occurrences. Copyright © 2018 Elsevier Ltd. All rights reserved.

On Landauer's Principle and Bound for Infinite Systems

NASA Astrophysics Data System (ADS)

Longo, Roberto

2018-04-01

Landauer's principle provides a link between Shannon's information entropy and Clausius' thermodynamical entropy. Here we set up a basic formula for the incremental free energy of a quantum channel, possibly relative to infinite systems, naturally arising by an Operator Algebraic point of view. By the Tomita-Takesaki modular theory, we can indeed describe a canonical evolution associated with a quantum channel state transfer. Such evolution is implemented both by a modular Hamiltonian and a physical Hamiltonian, the latter being determined by its functoriality properties. This allows us to make an intrinsic analysis, extending our QFT index formula, but without any a priori given dynamics; the associated incremental free energy is related to the logarithm of the Jones index and is thus quantised. This leads to a general lower bound for the incremental free energy of an irreversible quantum channel which is half of the Landauer bound, and to further bounds corresponding to the discrete series of the Jones index. In the finite dimensional context, or in the case of DHR charges in QFT, where the dimension is a positive integer, our lower bound agrees with Landauer's bound.

Robust passivity analysis for discrete-time recurrent neural networks with mixed delays

NASA Astrophysics Data System (ADS)

Huang, Chuan-Kuei; Shu, Yu-Jeng; Chang, Koan-Yuh; Shou, Ho-Nien; Lu, Chien-Yu

2015-02-01

This article considers the robust passivity analysis for a class of discrete-time recurrent neural networks (DRNNs) with mixed time-delays and uncertain parameters. The mixed time-delays that consist of both the discrete time-varying and distributed time-delays in a given range are presented, and the uncertain parameters are norm-bounded. The activation functions are assumed to be globally Lipschitz continuous. Based on new bounding technique and appropriate type of Lyapunov functional, a sufficient condition is investigated to guarantee the existence of the desired robust passivity condition for the DRNNs, which can be derived in terms of a family of linear matrix inequality (LMI). Some free-weighting matrices are introduced to reduce the conservatism of the criterion by using the bounding technique. A numerical example is given to illustrate the effectiveness and applicability.

Mechanism and Parameter Optimization of Fenton’s Reagent Integrated with Surfactant Pretreatment to Improve Sludge Dewaterability

PubMed Central

Hong, Chen; Yang, Qiang; Feng, Lihui; Jia, Mengmeng; Li, Yifei

2017-01-01

Sludge dewatering can effectively reduce the volume and mass of sludge for subsequent treatment and disposal. The work validated the potential of Fenton’s reagent combined with dodecyl dimethyl benzyl ammonium chloride (DDBAC) in improving sludge dewaterability and proposed the mechanism of joint conditioning. The composite conditioner dosage was optimized using response surface methodology. Results indicated the good conditioning capability of the composite conditioners. The optimum dosages for H2O2, Fe2+, and DDBAC were 44.6, 39.6, and 71.0 mg/g, respectively, at which a sludge cake water content of 59.67% could be achieved. Moreover, a second-order polynomial equation was developed to describe the behavior of joint conditioning. Analysis of the reaction mechanism showed that Fenton oxidation effectively decomposed extracellular polymeric substance (EPS), including loosely bound EPS (LB-EPS) and tightly bound EPS (TB-EPS), into dissolved organics, such as proteins and polysaccharides. The process facilitated the conversion of the bound water into free water. Furthermore, DDBAC further released the bound water through solubilization of TB-EPS and LB-EPS after the Fenton reaction. The bound water content of the sludge conditioned with Fenton’s reagent decreased from 3.15 to 1.36 g/g and further decreased to 1.08 g/g with the addition of DDBAC. High-performance liquid chromatography analysis verified that the composite conditioning could oxidize and hydrolyze EPS into low-molecular-mass organics (e.g., formic and acetic acid), thereby facilitating the release of bound water. PMID:28081203

Automatic Estimation of Verified Floating-Point Round-Off Errors via Static Analysis

NASA Technical Reports Server (NTRS)

Moscato, Mariano; Titolo, Laura; Dutle, Aaron; Munoz, Cesar A.

2017-01-01

This paper introduces a static analysis technique for computing formally verified round-off error bounds of floating-point functional expressions. The technique is based on a denotational semantics that computes a symbolic estimation of floating-point round-o errors along with a proof certificate that ensures its correctness. The symbolic estimation can be evaluated on concrete inputs using rigorous enclosure methods to produce formally verified numerical error bounds. The proposed technique is implemented in the prototype research tool PRECiSA (Program Round-o Error Certifier via Static Analysis) and used in the verification of floating-point programs of interest to NASA.

An Analysis of the Impact of Outward Bound on Twelve High Schools.

ERIC Educational Resources Information Center

Schulze, Joseph R.

Describing and analyzing the impact of Outward Bound (OB) programs on 12 high schools which reflect OB involvement varying from 1 to 5 years and include urban, suburban, and rural (public, private, boarding, and day) schools, this 1970-71 report is aimed at furthering OB philosophy and method. The report presents OB program: background; evaluation…

The Early Careers of Non-College-Bound Men.

ERIC Educational Resources Information Center

Grogger, Jeff

Data drawn from the Sophomore Cohort of the High School and Beyond study, also known as the Class of 1982 data, were studied to provide baseline data on the early careers of noncollege-bound (NCB) men. The analysis used data primarily from two post-high school interviews in 1984 and 1986. This report also focuses on restaurant employment, an…

Using Means-End Theory To Understand the Outdoor Adventure Experience.

ERIC Educational Resources Information Center

Goldenberg, Marni; Klenosky, David; McAvoy, Leo; Holman, Tom

Means-end analysis was used to examine the linkages between elements of an Outward Bound course and the personal benefits and outcomes obtained or reinforced by course completion. A self-administered questionnaire was completed by 216 persons, who completed a course at the North Carolina Outward Bound School. Respondents were aged 14-66 (83…

The 15-K neutron structure of saccharide-free concanavalin A.

PubMed

Blakeley, M P; Kalb, A J; Helliwell, J R; Myles, D A A

2004-11-23

The positions of the ordered hydrogen isotopes of a protein and its bound solvent can be determined by using neutron crystallography. Furthermore, by collecting neutron data at cryo temperatures, the dynamic disorder within a protein crystal is reduced, which may lead to improved definition of the nuclear density. It has proved possible to cryo-cool very large Con A protein crystals (>1.5 mm3) suitable for high-resolution neutron and x-ray structure analysis. We can thereby report the neutron crystal structure of the saccharide-free form of Con A and its bound water, including 167 intact D2O molecules and 60 oxygen atoms at 15 K to 2.5-A resolution, along with the 1.65-A x-ray structure of an identical crystal at 100 K. Comparison with the 293-K neutron structure shows that the bound water molecules are better ordered and have lower average B factors than those at room temperature. Overall, twice as many bound waters (as D2O) are identified at 15 K than at 293 K. We note that alteration of bound water orientations occurs between 293 and 15 K; such changes, as illustrated here with this example, could be important more generally in protein crystal structure analysis and ligand design. Methodologically, this successful neutron cryo protein structure refinement opens up categories of neutron protein crystallography, including freeze-trapped structures and cryo to room temperature comparisons.

Bounding the Failure Probability Range of Polynomial Systems Subject to P-box Uncertainties

NASA Technical Reports Server (NTRS)

Crespo, Luis G.; Kenny, Sean P.; Giesy, Daniel P.

2012-01-01

This paper proposes a reliability analysis framework for systems subject to multiple design requirements that depend polynomially on the uncertainty. Uncertainty is prescribed by probability boxes, also known as p-boxes, whose distribution functions have free or fixed functional forms. An approach based on the Bernstein expansion of polynomials and optimization is proposed. In particular, we search for the elements of a multi-dimensional p-box that minimize (i.e., the best-case) and maximize (i.e., the worst-case) the probability of inner and outer bounding sets of the failure domain. This technique yields intervals that bound the range of failure probabilities. The offset between this bounding interval and the actual failure probability range can be made arbitrarily tight with additional computational effort.

SAS and SPSS macros to calculate standardized Cronbach's alpha using the upper bound of the phi coefficient for dichotomous items.

PubMed

Sun, Wei; Chou, Chih-Ping; Stacy, Alan W; Ma, Huiyan; Unger, Jennifer; Gallaher, Peggy

2007-02-01

Cronbach's a is widely used in social science research to estimate the internal consistency of reliability of a measurement scale. However, when items are not strictly parallel, the Cronbach's a coefficient provides a lower-bound estimate of true reliability, and this estimate may be further biased downward when items are dichotomous. The estimation of standardized Cronbach's a for a scale with dichotomous items can be improved by using the upper bound of coefficient phi. SAS and SPSS macros have been developed in this article to obtain standardized Cronbach's a via this method. The simulation analysis showed that Cronbach's a from upper-bound phi might be appropriate for estimating the real reliability when standardized Cronbach's a is problematic.

Reduced conservatism in stability robustness bounds by state transformation

NASA Technical Reports Server (NTRS)

Yedavalli, R. K.; Liang, Z.

1986-01-01

This note addresses the issue of 'conservatism' in the time domain stability robustness bounds obtained by the Liapunov approach. A state transformation is employed to improve the upper bounds on the linear time-varying perturbation of an asymptotically stable linear time-invariant system for robust stability. This improvement is due to the variance of the conservatism of the Liapunov approach with respect to the basis of the vector space in which the Liapunov function is constructed. Improved bounds are obtained, using a transformation, on elemental and vector norms of perturbations (i.e., structured perturbations) as well as on a matrix norm of perturbations (i.e., unstructured perturbations). For the case of a diagonal transformation, an algorithm is proposed to find the 'optimal' transformation. Several examples are presented to illustrate the proposed analysis.

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

Berryman, J. G.

While the well-known Voigt and Reuss (VR) bounds, and the Voigt-Reuss-Hill (VRH) elastic constant estimators for random polycrystals are all straightforwardly calculated once the elastic constants of anisotropic crystals are known, the Hashin-Shtrikman (HS) bounds and related self-consistent (SC) estimators for the same constants are, by comparison, more difficult to compute. Recent work has shown how to simplify (to some extent) these harder to compute HS bounds and SC estimators. An overview and analysis of a subsampling of these results is presented here with the main point being to show whether or not this extra work (i.e., in calculating bothmore » the HS bounds and the SC estimates) does provide added value since, in particular, the VRH estimators often do not fall within the HS bounds, while the SC estimators (for good reasons) have always been found to do so. The quantitative differences between the SC and the VRH estimators in the eight cases considered are often quite small however, being on the order of ±1%. These quantitative results hold true even though these polycrystal Voigt-Reuss-Hill estimators more typically (but not always) fall outside the Hashin-Shtrikman bounds, while the self-consistent estimators always fall inside (or on the boundaries of) these same bounds.« less

Off-line separation and determination of rare earth elements associated with chloroplast pigments of hyperaccumulator Dicranopteris dichotoma by normal-phase liquid chromatography and ICP-MS.

PubMed

Wei, Z G; Hong, F S; Yin, M; Li, H X; Hu, F; Zhao, G W; Wong, J W C

2004-10-01

An off-line normal-phase liquid chromatography-ICP-MS method has been used for separation and determination of the rare earth elements (REE) associated with chloroplast pigments of Dicranopteris dichotoma. The stability of REE-bound pigments was tested, and almost no destruction of REE-bound pigments occurred during the so-called normal-phase liquid chromatography. The accumulated free REE ions on the microcrystalline cellulose column were cleaned by elution with 5 mmol L(-1) 2-ethylhexyl hydrogen 2-ethylhexylphosphonate (P507), to avoid exchange of these free ions with metals from the pigments. When these precautions were taken, the method was applied to the study of REE-bound pigments in D. dichotoma. ICP-MS results showed REE were present in chlorophylls and lutein, although REE concentrations in carotene and pheophytin were both below procedural blank levels. By careful analysis of the eluate fractions containing chlorophyll a it was found that REE-bound chlorophyll a in D. dichotoma was slightly enriched in the fractions with relatively short retention time. Results indicated that the retention time of REE-bound chlorophyll a might be slightly less than that of magnesium chlorophyll a, and REE-bound chlorophylls might be of relatively low polarity in comparison with magnesium bound chlorophylls. This phenomenon could be explained by the special double-decker sandwich-structure of REE-bound chlorophylls, as was reported by us and other authors. On the basis of these results we preferred to consider that REE can replace magnesium in chlorophyll a of D. dichotoma, and that the role of REE-bound chlorophylls in photosynthesis cannot be neglected. These data might be useful for understanding of both the properties of REE-bound pigments and the effect of REE on plant photosynthesis.

Glove powder's carrying capacity for latex protein: analysis using the ASTM ELISA test.

PubMed

Beezhold, D; Horton, K; Hickey, V; Daddona, J; Kostyal, D

2003-01-01

Glove donning powders carry latex proteins and disperse them into the workplace environment. We have used the ASTM D6499 ELISA to quantify the amount of latex antigen bound to and carried by glove powders. We could differentiate between a small amount of protein actually bound to the powders and a larger amount carried by the powder. Enhanced binding of a major allergen, Hev b 5, to the starch powders was demonstrated by Western blot. The D6499 ELISA is able to measure total latex antigen, soluble and powder bound, simultaneously without the need to centrifuge the samples.

Determining relative error bounds for the CVBEM

USGS Publications Warehouse

Hromadka, T.V.

1985-01-01

The Complex Variable Boundary Element Methods provides a measure of relative error which can be utilized to subsequently reduce the error or provide information for further modeling analysis. By maximizing the relative error norm on each boundary element, a bound on the total relative error for each boundary element can be evaluated. This bound can be utilized to test CVBEM convergence, to analyze the effects of additional boundary nodal points in reducing the modeling error, and to evaluate the sensitivity of resulting modeling error within a boundary element from the error produced in another boundary element as a function of geometric distance. ?? 1985.

Second law of thermodynamics and quantum feedback control: Maxwell's demon with weak measurements

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

Jacobs, Kurt

2009-07-15

Recently Sagawa and Ueda [Phys. Rev. Lett. 100, 080403 (2008)] derived a bound on the work that can be extracted from a quantum system with the use of feedback control. For many quantum measurements their bound was not tight. We show that a tight version of this bound follows straightforwardly from recent work on Maxwell's demon by Alicki et al. [Open Syst. Inf. Dyn. 11, 205 (2004)], for both discrete and continuous feedback control. Our analysis also shows that bare, efficient measurements always do non-negative work on a system in equilibrium, but do not add heat.

Thomson scattering in the average-atom approximation.

PubMed

Johnson, W R; Nilsen, J; Cheng, K T

2012-09-01

The average-atom model is applied to study Thomson scattering of x-rays from warm dense matter with emphasis on scattering by bound electrons. Parameters needed to evaluate the dynamic structure function (chemical potential, average ionic charge, free electron density, bound and continuum wave functions, and occupation numbers) are obtained from the average-atom model. The resulting analysis provides a relatively simple diagnostic for use in connection with x-ray scattering measurements. Applications are given to dense hydrogen, beryllium, aluminum, and titanium plasmas. In the case of titanium, bound states are predicted to modify the spectrum significantly.

Genome-Wide Analysis of Androgen Receptor Targets Reveals COUP-TF1 as a Novel Player in Human Prostate Cancer

PubMed Central

Perets, Ruth; Kaplan, Tommy; Stein, Ilan; Hidas, Guy; Tayeb, Shay; Avraham, Eti; Ben-Neriah, Yinon; Simon, Itamar; Pikarsky, Eli

2012-01-01

Androgen activity plays a key role in prostate cancer progression. Androgen receptor (AR) is the main mediator of androgen activity in the prostate, through its ability to act as a transcription mediator. Here we performed a genome-wide analysis of human AR binding to promoters in the presence of an agonist or antagonist in an androgen dependent prostate cancer cell line. Many of the AR bound promoters are bound in all examined conditions while others are bound only in the presence of an agonist or antagonist. Several motifs are enriched in AR bound promoters, including the AR Response Element (ARE) half-site and recognition elements for the transcription factors OCT1 and SOX9. This suggests that these 3 factors could define a module of co-operating transcription factors in the prostate. Interestingly, AR bound promoters are preferentially located in AT rich genomic regions. Analysis of mRNA expression identified chicken ovalbumin upstream promoter-transcription factor 1 (COUP-TF1) as a direct AR target gene that is downregulated upon binding by the agonist liganded AR. COUP-TF1 immunostaining revealed nucleolar localization of COUP-TF1 in epithelium of human androgen dependent prostate cancer, but not in adjacent benign prostate epithelium. Stromal cells both in human and mouse prostate show nuclear COUP-TF1 staining. We further show that there is an inverse correlation between COUP-TF1 expression in prostate stromal cells and the rising levels of androgen with advancing puberty. This study extends the pool of recognized putative AR targets and identifies a negatively regulated target of AR – COUP-TF1 – which could possibly play a role in human prostate cancer. PMID:23056316

Genome-wide analysis of androgen receptor targets reveals COUP-TF1 as a novel player in human prostate cancer.

PubMed

Perets, Ruth; Kaplan, Tommy; Stein, Ilan; Hidas, Guy; Tayeb, Shay; Avraham, Eti; Ben-Neriah, Yinon; Simon, Itamar; Pikarsky, Eli

2012-01-01

Androgen activity plays a key role in prostate cancer progression. Androgen receptor (AR) is the main mediator of androgen activity in the prostate, through its ability to act as a transcription mediator. Here we performed a genome-wide analysis of human AR binding to promoters in the presence of an agonist or antagonist in an androgen dependent prostate cancer cell line. Many of the AR bound promoters are bound in all examined conditions while others are bound only in the presence of an agonist or antagonist. Several motifs are enriched in AR bound promoters, including the AR Response Element (ARE) half-site and recognition elements for the transcription factors OCT1 and SOX9. This suggests that these 3 factors could define a module of co-operating transcription factors in the prostate. Interestingly, AR bound promoters are preferentially located in AT rich genomic regions. Analysis of mRNA expression identified chicken ovalbumin upstream promoter-transcription factor 1 (COUP-TF1) as a direct AR target gene that is downregulated upon binding by the agonist liganded AR. COUP-TF1 immunostaining revealed nucleolar localization of COUP-TF1 in epithelium of human androgen dependent prostate cancer, but not in adjacent benign prostate epithelium. Stromal cells both in human and mouse prostate show nuclear COUP-TF1 staining. We further show that there is an inverse correlation between COUP-TF1 expression in prostate stromal cells and the rising levels of androgen with advancing puberty. This study extends the pool of recognized putative AR targets and identifies a negatively regulated target of AR - COUP-TF1 - which could possibly play a role in human prostate cancer.

Native Liquid Extraction Surface Analysis Mass Spectrometry: Analysis of Noncovalent Protein Complexes Directly from Dried Substrates

NASA Astrophysics Data System (ADS)

Martin, Nicholas J.; Griffiths, Rian L.; Edwards, Rebecca L.; Cooper, Helen J.

2015-08-01

Liquid extraction surface analysis (LESA) mass spectrometry is a promising tool for the analysis of intact proteins from biological substrates. Here, we demonstrate native LESA mass spectrometry of noncovalent protein complexes of myoglobin and hemoglobin from a range of surfaces. Holomyoglobin, in which apomyoglobin is noncovalently bound to the prosthetic heme group, was observed following LESA mass spectrometry of myoglobin dried onto glass and polyvinylidene fluoride surfaces. Tetrameric hemoglobin [(αβ)2 4H] was observed following LESA mass spectrometry of hemoglobin dried onto glass and polyvinylidene fluoride (PVDF) surfaces, and from dried blood spots (DBS) on filter paper. Heme-bound dimers and monomers were also observed. The `contact' LESA approach was particularly suitable for the analysis of hemoglobin tetramers from DBS.

Search for Chemically Bound Water in the Surface Layer of Mars Based on HEND/Mars Odyssey Data

NASA Technical Reports Server (NTRS)

Basilevsky, A. T.; Litvak, M. L.; Mitrofanov, I. G.; Boynton, W.; Saunders, R. S.

2003-01-01

This study is emphasized on search for signatures of chemically bound water in surface layer of Mars based on data acquired by High Energy Neutron Detector (HEND) which is part of the Mars Odyssey Gamma Ray Spectrometer (GRS). Fluxes of epithermal (probe the upper 1-2 m) and fast (the upper 20-30 cm) neutrons, considered in this work, were measured since mid February till mid June 2002. First analysis of this data set with emphasis of chemically bound water was made. Early publications of the GRS results reported low neutron flux at high latitudes, interpreted as signature of ground water ice, and in two low latitude areas: Arabia and SW of Olympus Mons (SWOM), interpreted as 'geographic variations in the amount of chemically and/or physically bound H2O and or OH...'. It is clear that surface materials of Mars do contain chemically bound water, but its amounts are poorly known and its geographic distribution was not analyzed.

Investigation of the binding of a carbohydrate-mimetic peptide to its complementary anticarbohydrate antibody by STD-NMR spectroscopy and molecular-dynamics simulations.

PubMed

Szczepina, Monica G; Bleile, Dustin W; Pinto, B Mario

2011-10-04

Saturation transfer difference (STD)-NMR spectroscopy was used to probe experimentally the bioactive solution conformation of the carbohydrate mimic MDWNMHAA 1 of the O-polysaccharide of Shigella flexneri Y when bound to its complementary antibody, mAb SYA/J6. Molecular dynamics simulations using the ZymeCAD™ Molecular Dynamics platform were also undertaken to give a more accurate picture of the conformational flexibility and the possibilities for bound ligand conformations. The ligand topology, or the dynamic epitope, was mapped with the CORCEMA-ST (COmplete Relaxation and Conformational Exchange Matrix Analysis of Saturation Transfer) program that calculates a total matrix analysis of relaxation and exchange effects to generate predicted STD-NMR intensities from simulation. The comparison of these predicted STD enhancements with experimental data was used to select a representative binding mode. A protocol that employed theoretical STD effects calculated at snapshots during the entire course of a molecular dynamics (MD) trajectory of the peptide bound to the Fv portion of the antibody, and not the averaged atomic positions of receptor-ligand complexes, was also examined. In addition, the R factor was calculated on the basis of STD (fit) to avoid T1 bias, and an effective R factor, R(eff), was defined such that if the calculated STD (fit) for proton k was within error of the experimental STD (fit) for proton k, then that calculated STD (fit) for proton k was not included in the calculation of the R factor. This protocol was effective in deriving the antibody-bound solution conformation of the peptide which also differed from the bound conformation determined by X-ray crystallography; however, several discrepancies between experimental and calculated STD (fit) values were observed. The bound conformation was therefore further refined with a simulated annealing refinement protocol known as STD-NMR intensity-restrained CORCEMA optimization (SICO) to give a more accurate representation of the bound peptide epitope. Further optimization was required in this case, but a satisfactory correlation between experimental and calculated STD values was obtained. Attempts were also made to obtain STD enhancements with a synthetic pentasaccharide hapten, corresponding to the O-polysaccharide, while bound to the antibody. However, unfavorable kinetics of binding in this system prevented sufficient STD build-up, which, in turn, hindered a rigorous analysis via full STD build-up curves. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nuclear criticality safety bounding analysis for the in-tank-precipitation (ITP) process, impacted by fissile isotopic weight fractions

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

Bess, C.E.

The In-Tank Precipitation process (ITP) receives High Level Waste (HLW) supernatant liquid containing radionuclides in waste processing tank 48H. Sodium tetraphenylborate, NaTPB, and monosodium titanate (MST), NaTi{sub 2}O{sub 5}H, are added for removal of radioactive Cs and Sr, respectively. In addition to removal of radio-strontium, MST will also remove plutonium and uranium. The majority of the feed solutions to ITP will come from the dissolution of supernate that had been concentrated by evaporation to a crystallized salt form, commonly referred to as saltcake. The concern for criticality safety arises from the adsorption of U and Pt onto MST. If sufficientmore » mass and optimum conditions are achieved then criticality is credible. The concentration of u and Pt from solution into the smaller volume of precipitate represents a concern for criticality. This report supplements WSRC-TR-93-171, Nuclear Criticality Safety Bounding Analysis For The In-Tank-Precipitation (ITP) Process. Criticality safety in ITP can be analyzed by two bounding conditions: (1) the minimum safe ratio of MST to fissionable material and (2) the maximum fissionable material adsorption capacity of the MST. Calculations have provided the first bounding condition and experimental analysis has established the second. This report combines these conditions with canyon facility data to evaluate the potential for criticality in the ITP process due to the adsorption of the fissionable material from solution. In addition, this report analyzes the potential impact of increased U loading onto MST. Results of this analysis demonstrate a greater safety margin for ITP operations than the previous analysis. This report further demonstrates that the potential for criticality in the ITP process due to adsorption of fissionable material by MST is not credible.« less

Statistical analysis of effective singular values in matrix rank determination

NASA Technical Reports Server (NTRS)

Konstantinides, Konstantinos; Yao, Kung

1988-01-01

A major problem in using SVD (singular-value decomposition) as a tool in determining the effective rank of a perturbed matrix is that of distinguishing between significantly small and significantly large singular values to the end, conference regions are derived for the perturbed singular values of matrices with noisy observation data. The analysis is based on the theories of perturbations of singular values and statistical significance test. Threshold bounds for perturbation due to finite-precision and i.i.d. random models are evaluated. In random models, the threshold bounds depend on the dimension of the matrix, the noisy variance, and predefined statistical level of significance. Results applied to the problem of determining the effective order of a linear autoregressive system from the approximate rank of a sample autocorrelation matrix are considered. Various numerical examples illustrating the usefulness of these bounds and comparisons to other previously known approaches are given.

Resilient filtering for time-varying stochastic coupling networks under the event-triggering scheduling

NASA Astrophysics Data System (ADS)

Wang, Fan; Liang, Jinling; Dobaie, Abdullah M.

2018-07-01

The resilient filtering problem is considered for a class of time-varying networks with stochastic coupling strengths. An event-triggered strategy is adopted to save the network resources by scheduling the signal transmission from the sensors to the filters based on certain prescribed rules. Moreover, the filter parameters to be designed are subject to gain perturbations. The primary aim of the addressed problem is to determine a resilient filter that ensures an acceptable filtering performance for the considered network with event-triggering scheduling. To handle such an issue, an upper bound on the estimation error variance is established for each node according to the stochastic analysis. Subsequently, the resilient filter is designed by locally minimizing the derived upper bound at each iteration. Moreover, rigorous analysis shows the monotonicity of the minimal upper bound regarding the triggering threshold. Finally, a simulation example is presented to show effectiveness of the established filter scheme.

Heating Capacity of ReBound Shortwave Diathermy and Moist Hot Packs at Superficial Depths

PubMed Central

Hawkes, Amanda R.; Draper, David O.; Johnson, A. Wayne; Diede, Mike T.; Rigby, Justin H.

2013-01-01

Context: The effectiveness of a new continuous diathermy unit, ReBound, as a heating modality is unknown. Objective: To compare the effects of ReBound diathermy with silicate-gel moist hot packs on tissue temperature in the human triceps surae muscle. Design:  Crossover study. Setting: University research laboratory. Patients or Other Participants: A total of 12 healthy, college-aged volunteers (4 men, 8 women; age = 22.2 ± 2.25 years, calf subcutaneous fat thickness = 7.2 ± 1.9 mm). Intervention(s): On 2 different days, 1 of 2 modalities (ReBound diathermy, silicate-gel moist hot pack) was applied to the triceps surae muscle of each participant for 30 minutes. After 30 minutes, the modality was removed, and temperature decay was recorded for 20 minutes. Main Outcome Measure(s):  Medial triceps surae intramuscular tissue temperature at a depth of 1 cm was measured using an implantable thermocouple inserted horizontally into the muscle. Measurements were taken every 5 minutes during the 30-minute treatment and every minute during the 20-minute temperature decay, for a total of 50 minutes. Treatment was analyzed through a 2 × 7 mixed-model analysis of variance with repeated measures. Temperature decay was analyzed through a 2 × 21 mixed-model analysis of variance with repeated measures. Results: During the 30-minute application, tissue temperatures at a depth of 1 cm increased more with the ReBound diathermy than with the moist hot pack (F6,66 = 7.14, P < .001). ReBound diathermy and moist hot packs increased tissue temperatures 3.69°C ± 1.50°C and 2.82°C ± 0.90°C, respectively, from baseline. Throughout the temperature decay, ReBound diathermy produced a greater rate of heat dissipation than the moist hot pack (F20,222 = 4.42, P < .001). Conclusions: During a 30-minute treatment at a superficial depth, the ReBound diathermy increased tissue temperature to moderate levels, which were greater than the levels reached with moist hot packs. PMID:23855362

Culture-bound syndromes in Hispanic primary care patients.

PubMed

Bayles, Bryan P; Katerndahl, David A

2009-01-01

We sought to document Hispanic primary care patients' knowledge and experience of five culture-bound syndromes (CBS), as well as the basic socio-cultural correlates of these disorders. A convenience sample of 100 adult Hispanic patients presenting in an urban South Texas primary care clinic was recruited to complete a brief cross-sectional survey, presented in an oral format. Interviews sought information concerning five culture-bound syndromes--susto, empacho, nervios, mal de ojo, and ataques de nervios. Additional demographic, socio-economic, and acculturation data was collected. Descriptive and bivariate statistics (chi square, Fisher's) were used to assess relationships among variables and experience with each CBS. A multivariate logistic analysis was conducted to determine the possible contributions of age, gender, acculturation, and education to the personal experience of a culture-bound syndrome. Results indicate that 77% of respondents had knowledge of all five syndromes, with 42% reporting having personally experienced at least one CBS. Nervios was the most commonly suffered disorder, being reported by 30 respondents. This was followed, in declining order ofprevalence, by susto, mal de ojo, empacho, and ataques de nervios. Multivariate logistic regression analysis found that higher education beyond high school was associated with a slightly decreased likelihood of reporting having suffered from any culture-bound syndrome. While co-occurrence among these disorders occurred, the patterns of predictors suggest that the co-occurrence is not a reflection of mislabeling of one common syndrome. Knowledge of and experience with culture-bound syndromes is common among Hispanic primary care patients in South Texas. Healthcare providers ought to consider discussing these illnesses in a non-judgmental manner with patients who present with symptoms that are consistent with these syndromes. Future studies, with larger sample sizes, are warranted to elucidate the nature of culture-bound disorders and their relationships with conventional diagnostic entities and treatment-seeking behaviors.

Analysis of the Bayesian Cramér-Rao lower bound in astrometry. Studying the impact of prior information in the location of an object

NASA Astrophysics Data System (ADS)

Echeverria, Alex; Silva, Jorge F.; Mendez, Rene A.; Orchard, Marcos

2016-10-01

Context. The best precision that can be achieved to estimate the location of a stellar-like object is a topic of permanent interest in the astrometric community. Aims: We analyze bounds for the best position estimation of a stellar-like object on a CCD detector array in a Bayesian setting where the position is unknown, but where we have access to a prior distribution. In contrast to a parametric setting where we estimate a parameter from observations, the Bayesian approach estimates a random object (I.e., the position is a random variable) from observations that are statistically dependent on the position. Methods: We characterize the Bayesian Cramér-Rao (CR) that bounds the minimum mean square error (MMSE) of the best estimator of the position of a point source on a linear CCD-like detector, as a function of the properties of detector, the source, and the background. Results: We quantify and analyze the increase in astrometric performance from the use of a prior distribution of the object position, which is not available in the classical parametric setting. This gain is shown to be significant for various observational regimes, in particular in the case of faint objects or when the observations are taken under poor conditions. Furthermore, we present numerical evidence that the MMSE estimator of this problem tightly achieves the Bayesian CR bound. This is a remarkable result, demonstrating that all the performance gains presented in our analysis can be achieved with the MMSE estimator. Conclusions: The Bayesian CR bound can be used as a benchmark indicator of the expected maximum positional precision of a set of astrometric measurements in which prior information can be incorporated. This bound can be achieved through the conditional mean estimator, in contrast to the parametric case where no unbiased estimator precisely reaches the CR bound.

LHC phenomenology of SO(10) models with Yukawa unification

NASA Astrophysics Data System (ADS)

Anandakrishnan, Archana; Bryant, B. Charles; Raby, Stuart; Wingerter, Akın

2013-10-01

In this paper we study an SO(10) SUSY GUT with Yukawa unification for the third generation. We perform a global χ2 analysis given to obtain the GUT boundary conditions consistent with 11 low-energy observables, including the top, bottom and tau masses. We assume a universal mass, m16, for squarks and sleptons and a universal gaugino mass, M1/2. We then analyze the phenomenological consequences for the LHC for 15 benchmark models with fixed m16=20TeV and with varying values of the gluino mass. The goal of the present work is to (i) evaluate the lower bound on the gluino mass in our model coming from the most recent published data of CMS and (ii) to compare this bound with similar bounds obtained by CMS using simplified models. The bottom line is that the bounds coming from the same-sign dilepton analysis are comparable for our model and the simplified model studied assuming B(g˜→tt¯χ˜10)=100%. However the bounds coming from the purely hadronic analyses for our model are 10%-20% lower than obtained for the simplified models. This is due to the fact that for our models the branching ratio for the decay g˜→gχ˜1,20 is significant. Thus there are significantly fewer b-jets. We find a lower bound on the gluino mass in our models with Mg˜≳1000GeV. Finally, there is a theoretical upper bound on the gluino mass which increases with the value of m16. For m16≤30TeV, the gluino mass satisfies Mg˜≤2.8TeV at 90% C.L. Thus, unless we further increase the amount of fine-tuning, we expect gluinos to be discovered at LHC 14.

Investigation of EZH2 pathways for novel epigenetic treatment strategies in oropharyngeal cancer.

PubMed

Idris, Sherif; Lindsay, Cameron; Kostiuk, Morris; Andrews, Colin; Côté, David W J; O'Connell, Daniel A; Harris, Jeffrey; Seikaly, Hadi; Biron, Vincent L

2016-10-28

In recent decades, the incidence of oropharyngeal squamous cell carcinoma (OPSCC) has been rising worldwide as a result of increasing oncogenic human papillomavirus (HPV) infections in the oropharynx. EZH2 is an epigenetic regulatory protein associated with tumor aggressiveness and negative survival outcomes in several human cancers. We aimed to determine the role of EZH2 as a potential therapeutic epigenetic target in HPV-positive and negative OPSCC. The expression of EZH2 was measured by immunohistochemistry (IHC) and droplet digital PCR (ddPCR) in 2 HPV-positive and 2 HPV-negative cell lines. The cell lines were then cultured and treated with one of 3 EZH2 epigenetic inhibitors (3-deazaneplanocin A, GSK-343 and EPZ005687) or DMSO (control). Following 2, 4 and 7 days of treatment, cells were analyzed and compared by gene expression, cell survival and proliferation assays. EZH2 targeting resulted in greater inhibition of growth and survival in HPV-positive compared to HPV-negative cells lines. The expression profile of genes important in OPSCC also differed according to HPV-positivity for Ki67, CCND1, MET and PTEN/PIK3CA, but remained unchanged for EGFR, CDKN2A and p53. Inhibition of EZH2 has anti-tumorigenic effects on OPSCC cells in culture that is more pronounced in HPV-positive cell lines. EZH2 is a promising epigenetic target for the treatment of OPSCC.

Decipher the mechanisms of protein conformational changes induced by nucleotide binding through free-energy landscape analysis: ATP binding to Hsp70.

PubMed

Nicolaï, Adrien; Delarue, Patrice; Senet, Patrick

2013-01-01

ATP regulates the function of many proteins in the cell by transducing its binding and hydrolysis energies into protein conformational changes by mechanisms which are challenging to identify at the atomic scale. Based on molecular dynamics (MD) simulations, a method is proposed to analyze the structural changes induced by ATP binding to a protein by computing the effective free-energy landscape (FEL) of a subset of its coordinates along its amino-acid sequence. The method is applied to characterize the mechanism by which the binding of ATP to the nucleotide-binding domain (NBD) of Hsp70 propagates a signal to its substrate-binding domain (SBD). Unbiased MD simulations were performed for Hsp70-DnaK chaperone in nucleotide-free, ADP-bound and ATP-bound states. The simulations revealed that the SBD does not interact with the NBD for DnaK in its nucleotide-free and ADP-bound states whereas the docking of the SBD was found in the ATP-bound state. The docked state induced by ATP binding found in MD is an intermediate state between the initial nucleotide-free and final ATP-bound states of Hsp70. The analysis of the FEL projected along the amino-acid sequence permitted to identify a subset of 27 protein internal coordinates corresponding to a network of 91 key residues involved in the conformational change induced by ATP binding. Among the 91 residues, 26 are identified for the first time, whereas the others were shown relevant for the allosteric communication of Hsp70 s in several experiments and bioinformatics analysis. The FEL analysis revealed also the origin of the ATP-induced structural modifications of the SBD recently measured by Electron Paramagnetic Resonance. The pathway between the nucleotide-free and the intermediate state of DnaK was extracted by applying principal component analysis to the subset of internal coordinates describing the transition. The methodology proposed is general and could be applied to analyze allosteric communication in other proteins.

Decipher the Mechanisms of Protein Conformational Changes Induced by Nucleotide Binding through Free-Energy Landscape Analysis: ATP Binding to Hsp70

PubMed Central

Nicolaï, Adrien; Delarue, Patrice; Senet, Patrick

2013-01-01

ATP regulates the function of many proteins in the cell by transducing its binding and hydrolysis energies into protein conformational changes by mechanisms which are challenging to identify at the atomic scale. Based on molecular dynamics (MD) simulations, a method is proposed to analyze the structural changes induced by ATP binding to a protein by computing the effective free-energy landscape (FEL) of a subset of its coordinates along its amino-acid sequence. The method is applied to characterize the mechanism by which the binding of ATP to the nucleotide-binding domain (NBD) of Hsp70 propagates a signal to its substrate-binding domain (SBD). Unbiased MD simulations were performed for Hsp70-DnaK chaperone in nucleotide-free, ADP-bound and ATP-bound states. The simulations revealed that the SBD does not interact with the NBD for DnaK in its nucleotide-free and ADP-bound states whereas the docking of the SBD was found in the ATP-bound state. The docked state induced by ATP binding found in MD is an intermediate state between the initial nucleotide-free and final ATP-bound states of Hsp70. The analysis of the FEL projected along the amino-acid sequence permitted to identify a subset of 27 protein internal coordinates corresponding to a network of 91 key residues involved in the conformational change induced by ATP binding. Among the 91 residues, 26 are identified for the first time, whereas the others were shown relevant for the allosteric communication of Hsp70 s in several experiments and bioinformatics analysis. The FEL analysis revealed also the origin of the ATP-induced structural modifications of the SBD recently measured by Electron Paramagnetic Resonance. The pathway between the nucleotide-free and the intermediate state of DnaK was extracted by applying principal component analysis to the subset of internal coordinates describing the transition. The methodology proposed is general and could be applied to analyze allosteric communication in other proteins. PMID:24348227

The Economic Cost of Methamphetamine Use in the United States, 2005

ERIC Educational Resources Information Center

Nicosia, Nancy; Pacula, Rosalie Liccardo; Kilmer, Beau; Lundberg, Russell; Chiesa, James

2009-01-01

This first national estimate suggests that the economic cost of methamphetamine (meth) use in the United States reached $23.4 billion in 2005. Given the uncertainty in estimating the costs of meth use, this book provides a lower-bound estimate of $16.2 billion and an upper-bound estimate of $48.3 billion. The analysis considers a wide range of…

The upper bound of abutment scour defined by selected laboratory and field data

USGS Publications Warehouse

Benedict, Stephen; Caldwell, Andral W.

2015-01-01

The U.S. Geological Survey, in cooperation with the South Carolina Department of Transportation, conducted a field investigation of abutment scour in South Carolina and used that data to develop envelope curves defining the upper bound of abutment scour. To expand upon this previous work, an additional cooperative investigation was initiated to combine the South Carolina data with abutment-scour data from other sources and evaluate the upper bound of abutment scour with the larger data set. To facilitate this analysis, a literature review was made to identify potential sources of published abutment-scour data, and selected data, consisting of 446 laboratory and 331 field measurements, were compiled for the analysis. These data encompassed a wide range of laboratory and field conditions and represent field data from 6 states within the United States. The data set was used to evaluate the South Carolina abutment-scour envelope curves. Additionally, the data were used to evaluate a dimensionless abutment-scour envelope curve developed by Melville (1992), highlighting the distinct difference in the upper bound for laboratory and field data. The envelope curves evaluated in this investigation provide simple but useful tools for assessing the potential maximum abutment-scour depth in the field setting.

Research on chromium and arsenic speciation in atmospheric particulate matter: short review

NASA Astrophysics Data System (ADS)

Nocoń, Katarzyna; Rogula-Kozłowska, Wioletta; Widziewicz, Kamila

2018-01-01

Atmospheric particulate matter (PM) plays an important role in the distribution of elements in the environment. The PM-bound elements penetrates into the other elements of the environment, in two basic forms - those dissolved in the atmospheric precipitation and those permanently bound to PM particles. Those forms differs greatly in their mobility, thus posing a potential threat to living organisms. They can also be an immediate threat, while being inhaled. Chromium (Cr) and arsenic (As) belong to the group of elements whose certain chemical states exhibit toxic properties, that is Cr(VI) and As(III). Thus, recognition of the actual threat posed by Cr and As in the environment, including those present in PM, is possible only through the in depth speciation analysis. Research on the Cr and As speciation in PM, more than the analogous studies of their presence in other compartments of the environment, have been undertaken quite rarely. Hence the knowledge on the speciation of PM-bound As and Cr is still limited. The state of knowledge in the field of PM-bound Cr and As is presented in the paper. The issues related to the characterization and occurrence of Cr and As species in PM, the share of Cr and As species mass in different PM size fractions, and in PM of different origin is also summarized. The analytical techniques used in the speciation analysis of PM-bound Cr and As are also discussed. In the existing literature there is no data on the physical characteristics of Cr and As (bound to a different PM size fractions), and thus it still lack of data needed for a comprehensive assessment of the actual environmental and health threat posed by airborne Cr and As.

Length bounds for connecting discharges in triggered lightning subsequent strokes

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

Idone, V.P.

1990-11-20

Highly time resolved streak recordings from nine subsequent strokes in four triggered flashes have been examined for evidence of the occurrence of upward connecting discharges. These photographic recordings were obtained with superior spatial and temporal resolution (0.3 m and 0.5 {lambda}s) and were examined with a video image analysis system to help delineate the separate leader and return stroke image tracks. Unfortunately, a definitive determination of the occurrence of connecting discharges in these strokes could not be made. The data did allow various determinations of an upper bound length for any possible connecting discharge in each stroke. Under the simplestmore » analysis approach possible, an 'absolute' upper bound set of lengths was measured that ranged from 12 to 27 m with a mean of 19 m; two other more involved analyses yielded arguably better upper bound estimates of 8-18 m and 7-26 m with means of 19 m; two other more involved analyses yielded arguably better upper bound estimates of 8-18 m and 7-26 m with means of 12 and 13 m, respectively. An additional set of low time-resolution telephoto recordings of the lowest few meters of channel revealed six strokes in these flashes with one or more upward unconnected channels originating from the lightning rod tip. The maximum length of unconnected channel seen in each of these strokes ranged from 0.2 to 1.6 m with a mean of 0.7 m. This latter set of observations is interpreted as indirect evidence that connecting discharges did occur in these strokes and that the lower bound for their length is about 1 m.« less

Effects of atmospheric relative humidity on Stratum Corneum structure at the molecular level: ex vivo Raman spectroscopy analysis.

PubMed

Vyumvuhore, Raoul; Tfayli, Ali; Duplan, Hélène; Delalleau, Alexandre; Manfait, Michel; Baillet-Guffroy, Arlette

2013-07-21

Skin hydration plays an important role in the optimal physical properties and physiological functions of the skin. Despite the advancements in the last decade, dry skin remains the most common characteristic of human skin disorders. Thus, it is important to understand the effect of hydration on Stratum Corneum (SC) components. In this respect, our interest consists in correlating the variations of unbound and bound water content in the SC with structural and organizational changes in lipids and proteins using a non-invasive technique: Raman spectroscopy. Raman spectra were acquired on human SC at different relative humidity (RH) levels (4-75%). The content of different types of water, bound and free, was measured using the second derivative and curve fitting of the Raman bands in the range of 3100-3700 cm(-1). Changes in lipidic order were evaluated using νC-C and νC-H. To analyze the effect of RH on the protein structure, we examined in the Amide I region, the Fermi doublet of tyrosine, and the νasymCH3 vibration. The contributions of totally bound water were found not to vary with humidity, while partially bound water varied with three different rates. Unbound water increased greatly when all sites for bound water were saturated. Lipid organization as well as protein deployment was found to be optimal at intermediate RH values (around 60%), which correspond to the maximum of SC water binding capacity. This analysis highlights the relationship between bound water, the SC barrier state and the protein structure and elucidates the optimal conditions. Moreover, our results showed that increased content of unbound water in the SC induces disorder in the structures of lipids and proteins.

SURE reliability analysis: Program and mathematics

NASA Technical Reports Server (NTRS)

Butler, Ricky W.; White, Allan L.

1988-01-01

The SURE program is a new reliability analysis tool for ultrareliable computer system architectures. The computational methods on which the program is based provide an efficient means for computing accurate upper and lower bounds for the death state probabilities of a large class of semi-Markov models. Once a semi-Markov model is described using a simple input language, the SURE program automatically computes the upper and lower bounds on the probability of system failure. A parameter of the model can be specified as a variable over a range of values directing the SURE program to perform a sensitivity analysis automatically. This feature, along with the speed of the program, makes it especially useful as a design tool.

A Collaborative Evaluation of LC-MS/MS Based Methods for BMAA Analysis: Soluble Bound BMAA Found to Be an Important Fraction.

PubMed

Faassen, Elisabeth J; Antoniou, Maria G; Beekman-Lukassen, Wendy; Blahova, Lucie; Chernova, Ekaterina; Christophoridis, Christophoros; Combes, Audrey; Edwards, Christine; Fastner, Jutta; Harmsen, Joop; Hiskia, Anastasia; Ilag, Leopold L; Kaloudis, Triantafyllos; Lopicic, Srdjan; Lürling, Miquel; Mazur-Marzec, Hanna; Meriluoto, Jussi; Porojan, Cristina; Viner-Mozzini, Yehudit; Zguna, Nadezda

2016-02-29

Exposure to β-N-methylamino-l-alanine (BMAA) might be linked to the incidence of amyotrophic lateral sclerosis, Alzheimer's disease and Parkinson's disease. Analytical chemistry plays a crucial role in determining human BMAA exposure and the associated health risk, but the performance of various analytical methods currently employed is rarely compared. A CYANOCOST initiated workshop was organized aimed at training scientists in BMAA analysis, creating mutual understanding and paving the way towards interlaboratory comparison exercises. During this workshop, we tested different methods (extraction followed by derivatization and liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) analysis, or directly followed by LC-MS/MS analysis) for trueness and intermediate precision. We adapted three workup methods for the underivatized analysis of animal, brain and cyanobacterial samples. Based on recovery of the internal standard D₃BMAA, the underivatized methods were accurate (mean recovery 80%) and precise (mean relative standard deviation 10%), except for the cyanobacterium Leptolyngbya. However, total BMAA concentrations in the positive controls (cycad seeds) showed higher variation (relative standard deviation 21%-32%), implying that D₃BMAA was not a good indicator for the release of BMAA from bound forms. Significant losses occurred during workup for the derivatized method, resulting in low recovery (<10%). Most BMAA was found in a trichloroacetic acid soluble, bound form and we recommend including this fraction during analysis.

Safe Upper-Bounds Inference of Energy Consumption for Java Bytecode Applications

NASA Technical Reports Server (NTRS)

Navas, Jorge; Mendez-Lojo, Mario; Hermenegildo, Manuel V.

2008-01-01

Many space applications such as sensor networks, on-board satellite-based platforms, on-board vehicle monitoring systems, etc. handle large amounts of data and analysis of such data is often critical for the scientific mission. Transmitting such large amounts of data to the remote control station for analysis is usually too expensive for time-critical applications. Instead, modern space applications are increasingly relying on autonomous on-board data analysis. All these applications face many resource constraints. A key requirement is to minimize energy consumption. Several approaches have been developed for estimating the energy consumption of such applications (e.g. [3, 1]) based on measuring actual consumption at run-time for large sets of random inputs. However, this approach has the limitation that it is in general not possible to cover all possible inputs. Using formal techniques offers the potential for inferring safe energy consumption bounds, thus being specially interesting for space exploration and safety-critical systems. We have proposed and implemented a general frame- work for resource usage analysis of Java bytecode [2]. The user defines a set of resource(s) of interest to be tracked and some annotations that describe the cost of some elementary elements of the program for those resources. These values can be constants or, more generally, functions of the input data sizes. The analysis then statically derives an upper bound on the amount of those resources that the program as a whole will consume or provide, also as functions of the input data sizes. This article develops a novel application of the analysis of [2] to inferring safe upper bounds on the energy consumption of Java bytecode applications. We first use a resource model that describes the cost of each bytecode instruction in terms of the joules it consumes. With this resource model, we then generate energy consumption cost relations, which are then used to infer safe upper bounds. How energy consumption for each bytecode instruction is measured is beyond the scope of this paper. Instead, this paper is about how to infer safe energy consumption estimations assuming that those energy consumption costs are provided. For concreteness, we use a simplified version of an existing resource model [1] in which an energy consumption cost for individual Java opcodes is defined.

A generalized modal shock spectra method for spacecraft loads analysis

NASA Technical Reports Server (NTRS)

Trubert, M.; Salama, M.

1979-01-01

Unlike the traditional shock spectra approach, the generalization presented in this paper permits elastic interaction between the spacecraft and launch vehicle in order to obtain accurate bounds on the spacecraft response and structural loads. In addition, the modal response from a previous launch vehicle transient analysis - with or without a dummy spacecraft - is exploited in order to define a modal impulse as a simple idealization of the actual forcing function. The idealized modal forcing function is then used to derive explicit expressions for an estimate of the bound on the spacecraft structural response and forces.

A Novel Capacity Analysis for Wireless Backhaul Mesh Networks

NASA Astrophysics Data System (ADS)

Chung, Tein-Yaw; Lee, Kuan-Chun; Lee, Hsiao-Chih

This paper derived a closed-form expression for inter-flow capacity of a backhaul wireless mesh network (WMN) with centralized scheduling by employing a ring-based approach. Through the definition of an interference area, we are able to accurately describe a bottleneck collision area for a WMN and calculate the upper bound of inter-flow capacity. The closed-form expression shows that the upper bound is a function of the ratio between transmission range and network radius. Simulations and numerical analysis show that our analytic solution can better estimate the inter-flow capacity of WMNs than that of previous approach.

Complexity, Heuristic, and Search Analysis for the Games of Crossings and Epaminondas

DTIC Science & Technology

2014-03-27

research in Artifical Intelligence (Section 2.1) and why games are studied (Section 2.2). Section 2.3 discusses how games are played and solved. An...5 2.1 Games in Artificial Intelligence . . . . . . . . . . . . . . . . . . . . . . . . 5 2.2 Game Study...Artificial Intelligence UCT Upper Confidence Bounds applied to Trees HUCT Heuristic Guided UCT LOA Lines of Action UCB Upper Confidence Bound RAVE Rapid

Assessing and Evaluating Department of Defense Efforts to Inform, Influence, and Persuade: Work Example

DTIC Science & Technology

2017-01-01

reviewing and refining their initial objectives to ensure that these objectives are SMART: specific, measurable, achievable, relevant, and time -bound...should not conflate exposure and effectiveness where messaging is concerned, and they should aim to capture trends over time . Assessors should use...specific, measurable, achievable, relevant, and time -bound TAA target audience analysis TCO transnational criminal organization UN United Nations VEO

Analysis of cyanide in whole blood of dosed cathartids

USGS Publications Warehouse

Krynitsky, A.J.; Wiemeyer, Stanley N.; Hill, E.F.; Carpenter, J.W.

1986-01-01

A gas-liquid chromatographic method was modified to quantify both unmetabolized ('free') and metabolized ('bound', i.e., thiocyanates) cyanides. The methods for both are efficient and sensitive to 0.05 ppm. Repeated freezing and thawing of whole blood from treated cathartids caused an initial increase in free cyanide concentrations, followed by a gradual decline to a plateau. Bound cyanide concentrations declined after repeated freezing and thawing.

Search for weakly decaying Λn ‾ and ΛΛ exotic bound states in central Pb-Pb collisions at √{sNN} = 2.76 TeV

NASA Astrophysics Data System (ADS)

Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahmed, I.; Ahn, S. U.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Alam, S. N.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Arslandok, M.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Ball, M.; Baltasar Dos Santos Pedrosa, F.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Belmont, R.; Belmont-Moreno, E.; Belyaev, V.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biswas, S.; Bjelogrlic, S.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Bossú, F.; Botje, M.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Buxton, J. T.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Choi, K.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; De, S.; De Caro, A.; de Cataldo, G.; de Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; Deisting, A.; Deloff, A.; Dénes, E.; D'Erasmo, G.; Di Bari, D.; Di Mauro, A.; Di Nezza, P.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Engel, H.; Erazmus, B.; Erhardt, F.; Eschweiler, D.; Espagnon, B.; Estienne, M.; Esumi, S.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Fleck, M. G.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Gasik, P.; Germain, M.; Gheata, A.; Gheata, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez Ramirez, A.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hanratty, L. D.; Hansen, A.; Harris, J. W.; Hartmann, H.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Hess, B. A.; Hetland, K. F.; Hilden, T. E.; Hillemanns, H.; Hippolyte, B.; Hristov, P.; Huang, M.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Ionita, C.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jachołkowski, A.; Jacobs, P. M.; Jahnke, C.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jimenez Bustamante, R. T.; Jones, P. G.; Jung, H.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Khan, K. H.; Khan, M. M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, B.; Kim, D. W.; Kim, D. J.; Kim, H.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein, J.; Klein-Bösing, C.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobayashi, T.; Kobdaj, C.; Kofarago, M.; Köhler, M. K.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kouzinopoulos, C.; Kovalenko, V.; Kowalski, M.; Kox, S.; Koyithatta Meethaleveedu, G.; Kral, J.; Králik, I.; Kravčáková, A.; Krelina, M.; Kretz, M.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kubera, A. M.; Kučera, V.; Kucheriaev, Y.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kulakov, I.; Kumar, J.; Kumar, L.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lea, R.; Leardini, L.; Lee, G. R.; Lee, S.; Legrand, I.; Lehnert, J.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; Leoncino, M.; Lévai, P.; Li, S.; Li, X.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loggins, V. R.; Loginov, V.; Loizides, C.; Lopez, X.; López Torres, E.; Lowe, A.; Lu, X.-G.; Luettig, P.; Lunardon, M.; Luparello, G.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manceau, L.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.; Marín, A.; Markert, C.; Marquard, M.; Martashvili, I.; Martin, N. A.; Martin Blanco, J.; Martinengo, P.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; Mcdonald, D.; Meddi, F.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Mieskolainen, M. M.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Minervini, L. M.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Montes, E.; Morando, M.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Müller, H.; Mulligan, J. D.; Munhoz, M. G.; Murray, S.; Musa, L.; Musinsky, J.; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Nattrass, C.; Nayak, K.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nellen, L.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Ohlson, A.; Okatan, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira Da Silva, A. C.; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pagano, P.; Paić, G.; Pajares, C.; Pal, S. K.; Pan, J.; Pandey, A. K.; Pant, D.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, W. J.; Parmar, S.; Passfeld, A.; Paticchio, V.; Paul, B.; Pawlak, T.; Peitzmann, T.; Pereira Da Costa, H.; Pereira De Oliveira Filho, E.; Peresunko, D.; Pérez Lara, C. E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, J.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Razazi, V.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reicher, M.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rivetti, A.; Rocco, E.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sanchez Castro, X.; Šándor, L.; Sandoval, A.; Sano, M.; Santagati, G.; Sarkar, D.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Seeder, K. S.; Seger, J. E.; Sekiguchi, Y.; Selyuzhenkov, I.; Senosi, K.; Seo, J.; Serradilla, E.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, A.; Sharma, N.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Snellman, T. W.; Søgaard, C.; Soltz, R.; Song, J.; Song, M.; Song, Z.; Soramel, F.; Sorensen, S.; Spacek, M.; Spiriti, E.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Sultanov, R.; Šumbera, M.; Symons, T. J. M.; Szabo, A.; Szanto de Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Takahashi, J.; Tanaka, N.; Tangaro, M. A.; Tapia Takaki, J. D.; Tarantola Peloni, A.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Toia, A.; Trogolo, S.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; Van Der Maarel, J.; Van Hoorne, J. W.; van Leeuwen, M.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vechernin, V.; Veen, A. M.; Veldhoen, M.; Velure, A.; Venaruzzo, M.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Vislavicius, V.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, B.; Wagner, J.; Wang, H.; Wang, M.; Wang, Y.; Watanabe, D.; Weber, M.; Weber, S. G.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yaldo, C. G.; Yamaguchi, Y.; Yang, H.; Yang, P.; Yano, S.; Yasnopolskiy, S.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yurchenko, V.; Yushmanov, I.; Zaborowska, A.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zyzak, M.

2016-01-01

We present results of a search for two hypothetical strange dibaryon states, i.e. the H-dibaryon and the possible Λn ‾ bound state. The search is performed with the ALICE detector in central (0-10%) Pb-Pb collisions at √{sNN} = 2.76 TeV, by invariant mass analysis in the decay modes Λn ‾ → d ‾π+ and H-dibaryon → Λpπ-. No evidence for these bound states is observed. Upper limits are determined at 99% confidence level for a wide range of lifetimes and for the full range of branching ratios. The results are compared to thermal, coalescence and hybrid UrQMD model expectations, which describe correctly the production of other loosely bound states, like the deuteron and the hypertriton.

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

Carpentier, J.L.; Di Bono, P.J.; Tournebise, P.J.

The efficient bounding method for DC contingency analysis is improved using reciprocity properties. Knowing the consequences of the outage of a branch, these properties provide the consequences on that branch of various kinds of outages. This is used in order to reduce computation times and to get rid of some difficulties, such as those occurring when a branch flow is close to its limit before outage. Compensation, sparse vector, sparse inverse and bounding techniques are also used. A program has been implemented for single branch outages and tested on actual French EHV 650 bus network. Computation times are 60% ofmore » the Efficient Bounding method. The relevant algorithm is described in detail in the first part of this paper. In the second part, reciprocity properties and bounding formulas are extended for multiple branch outages and for multiple generator or load outages. An algorithm is proposed in order to handle all these cases simultaneously.« less

Search for weakly decaying Λ n - and ΛΛ exotic bound states in central Pb–Pb collisions at s NN = 2.76  TeV

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

Adam, J.; Adamová, D.; Aggarwal, M. M.

Here, we present results of a search for two hypothetical strange dibaryon states, i.e. the H-dibaryon and the possiblemore » $$\\overline{Λn}$$ bound state. The search is performed with the ALICE detector in central (0-10%) Pb-Pb collisions at $$\\sqrt{s}$$$_ {NN}$$ = 2.76 TeV, by invariant mass analysis in the decay modes $$\\overline{Λn}$$ → $$\\bar{d}$$π + and H-dibaryon →Λpπ -. No evidence for these bound states is observed. Upper limits are determined at 99% confidence level for a wide range of lifetimes and for the full range of branching ratios. The results are compared to thermal, coalescence and hybrid UrQMD model expectations, which describe correctly the production of other loosely bound states, like the deuteron and the hypertriton.« less

Search for weakly decaying Λ n - and ΛΛ exotic bound states in central Pb–Pb collisions at s NN = 2.76  TeV

DOE PAGES

Adam, J.; Adamová, D.; Aggarwal, M. M.; ...

2016-11-28

Here, we present results of a search for two hypothetical strange dibaryon states, i.e. the H-dibaryon and the possiblemore » $$\\overline{Λn}$$ bound state. The search is performed with the ALICE detector in central (0-10%) Pb-Pb collisions at $$\\sqrt{s}$$$_ {NN}$$ = 2.76 TeV, by invariant mass analysis in the decay modes $$\\overline{Λn}$$ → $$\\bar{d}$$π + and H-dibaryon →Λpπ -. No evidence for these bound states is observed. Upper limits are determined at 99% confidence level for a wide range of lifetimes and for the full range of branching ratios. The results are compared to thermal, coalescence and hybrid UrQMD model expectations, which describe correctly the production of other loosely bound states, like the deuteron and the hypertriton.« less

Performance bounds for nonlinear systems with a nonlinear ℒ2-gain property

NASA Astrophysics Data System (ADS)

Zhang, Huan; Dower, Peter M.

2012-09-01

Nonlinear ℒ2-gain is a finite gain concept that generalises the notion of conventional (linear) finite ℒ2-gain to admit the application of ℒ2-gain analysis tools of a broader class of nonlinear systems. The computation of tight comparison function bounds for this nonlinear ℒ2-gain property is important in applications such as small gain design. This article presents an approximation framework for these comparison function bounds through the formulation and solution of an optimal control problem. Key to the solution of this problem is the lifting of an ℒ2-norm input constraint, which is facilitated via the introduction of an energy saturation operator. This admits the solution of the optimal control problem of interest via dynamic programming and associated numerical methods, leading to the computation of the proposed bounds. Two examples are presented to demonstrate this approach.

Upper bound of abutment scour in laboratory and field data

USGS Publications Warehouse

Benedict, Stephen

2016-01-01

The U.S. Geological Survey, in cooperation with the South Carolina Department of Transportation, conducted a field investigation of abutment scour in South Carolina and used those data to develop envelope curves that define the upper bound of abutment scour. To expand on this previous work, an additional cooperative investigation was initiated to combine the South Carolina data with abutment scour data from other sources and evaluate upper bound patterns with this larger data set. To facilitate this analysis, 446 laboratory and 331 field measurements of abutment scour were compiled into a digital database. This extensive database was used to evaluate the South Carolina abutment scour envelope curves and to develop additional envelope curves that reflected the upper bound of abutment scour depth for the laboratory and field data. The envelope curves provide simple but useful supplementary tools for assessing the potential maximum abutment scour depth in the field setting.

Dynamic spin injection into a quantum well coupled to a spin-split bound state

NASA Astrophysics Data System (ADS)

Maslova, N. S.; Rozhansky, I. V.; Mantsevich, V. N.; Arseyev, P. I.; Averkiev, N. S.; Lähderanta, E.

2018-05-01

We present a theoretical analysis of dynamic spin injection due to spin-dependent tunneling between a quantum well (QW) and a bound state split in spin projection due to an exchange interaction or external magnetic field. We focus on the impact of Coulomb correlations at the bound state on spin polarization and sheet density kinetics of the charge carriers in the QW. The theoretical approach is based on kinetic equations for the electron occupation numbers taking into account high order correlation functions for the bound state electrons. It is shown that the on-site Coulomb repulsion leads to an enhanced dynamic spin polarization of the electrons in the QW and a delay in the carriers tunneling into the bound state. The interplay of these two effects leads to nontrivial dependence of the spin polarization degree, which can be probed experimentally using time-resolved photoluminescence experiments. It is demonstrated that the influence of the Coulomb interactions can be controlled by adjusting the relaxation rates. These findings open a new way of studying the Hubbard-like electron interactions experimentally.

The Combined Influence of Hydrogel Stiffness and Matrix-Bound Hyaluronic Acid Content on Glioblastoma Invasion.

PubMed

Chen, Jee-Wei Emily; Pedron, Sara; Harley, Brendan A C

2017-08-01

Glioblastoma (GBM) is the most common and lethal form of brain cancer. Its high mortality is associated with its aggressive invasion throughout the brain. The heterogeneity of stiffness and hyaluronic acid (HA) content within the brain makes it difficult to study invasion in vivo. A dextran-bead assay is employed to quantify GBM invasion within HA-functionalized gelatin hydrogels. Using a library of stiffness-matched hydrogels with variable levels of matrix-bound HA, it is reported that U251 GBM invasion is enhanced in softer hydrogels but reduced in the presence of matrix-bound HA. Inhibiting HA-CD44 interactions reduces invasion, even in hydrogels lacking matrix-bound HA. Analysis of HA biosynthesis suggests that GBM cells compensate for a lack of matrix-bound HA by producing soluble HA to stimulate invasion. Together, a robust method is showed to quantify GBM invasion over long culture times to reveal the coordinated effect of matrix stiffness, immobilized HA, and compensatory HA production on GBM invasion. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigation on extracellular polymeric substances, sludge flocs morphology, bound water release and dewatering performance of sewage sludge under pretreatment with modified phosphogypsum.

PubMed

Dai, Quxiu; Ma, Liping; Ren, Nanqi; Ning, Ping; Guo, Zhiying; Xie, Longgui; Gao, Haijun

2018-06-06

Modified phosphogypsum (MPG) was developed to improve dewaterability of sewage sludge, and dewatering performance, properties of treated sludge, composition and morphology distribution of EPS, dynamic analysis and multiple regression model on bound water release were investigated. The results showed that addition of MPG caused extracellular polymeric substances (EPS) disintegration through charge neutralization. Destruction of EPS promoted the formation of larger sludge flocs and the release of bound water into supernatant. Simultaneously, content of organics with molecular weight between 1000 and 7000 Da in soluble EPS (SB-EPS) increased with increasing of EPS dissolved into the liquid phase. Besides, about 8.8 kg•kg -1 DS of bound water was released after pretreatment with 40%DS MPG dosage. Additionally, a multiple linear regression model for bound water release was established, showing that lower loosely bond EPS (LB-EPS) content and specific resistance of filtration (SRF) may improve dehydration performance, and larger sludge flocs may be beneficial for sludge dewatering. Copyright © 2018 Elsevier Ltd. All rights reserved.

The SURE Reliability Analysis Program

NASA Technical Reports Server (NTRS)

Butler, R. W.

1986-01-01

The SURE program is a new reliability analysis tool for ultrareliable computer system architectures. The program is based on computational methods recently developed for the NASA Langley Research Center. These methods provide an efficient means for computing accurate upper and lower bounds for the death state probabilities of a large class of semi-Markov models. Once a semi-Markov model is described using a simple input language, the SURE program automatically computes the upper and lower bounds on the probability of system failure. A parameter of the model can be specified as a variable over a range of values directing the SURE program to perform a sensitivity analysis automatically. This feature, along with the speed of the program, makes it especially useful as a design tool.

A generalized modal shock spectra method for spacecraft loads analysis. [internal loads in a spacecraft structure subjected to a dynamic launch environment

NASA Technical Reports Server (NTRS)

Trubert, M.; Salama, M.

1979-01-01

Unlike an earlier shock spectra approach, generalization permits an accurate elastic interaction between the spacecraft and launch vehicle to obtain accurate bounds on the spacecraft response and structural loads. In addition, the modal response from a previous launch vehicle transient analysis with or without a dummy spacecraft - is exploited to define a modal impulse as a simple idealization of the actual forcing function. The idealized modal forcing function is then used to derive explicit expressions for an estimate of the bound on the spacecraft structural response and forces. Greater accuracy is achieved with the present method over the earlier shock spectra, while saving much computational effort over the transient analysis.

Combinatorial complexity of pathway analysis in metabolic networks.

PubMed

Klamt, Steffen; Stelling, Jörg

2002-01-01

Elementary flux mode analysis is a promising approach for a pathway-oriented perspective of metabolic networks. However, in larger networks it is hampered by the combinatorial explosion of possible routes. In this work we give some estimations on the combinatorial complexity including theoretical upper bounds for the number of elementary flux modes in a network of a given size. In a case study, we computed the elementary modes in the central metabolism of Escherichia coli while utilizing four different substrates. Interestingly, although the number of modes occurring in this complex network can exceed half a million, it is still far below the upper bound. Hence, to a certain extent, pathway analysis of central catabolism is feasible to assess network properties such as flexibility and functionality.

Effect of Drying on Heavy Metal Fraction Distribution in Rice Paddy Soil

PubMed Central

Qi, Yanbing; Huang, Biao; Darilek, Jeremy Landon

2014-01-01

An understanding of how redox conditions affect soil heavy metal fractions in rice paddies is important due to its implications for heavy metal mobility and plant uptake. Rice paddy soil samples routinely undergo oxidation prior to heavy metal analysis. Fraction distribution of Cu, Pb, Ni, and Cd from paddy soil with a wide pH range was investigated. Samples were both dried according to standard protocols and also preserved under anaerobic conditions through the sampling and analysis process and heavy metals were then sequentially extracted for the exchangeable and carbonate bound fraction (acid soluble fraction), iron and manganese oxide bound fraction (reducible fraction), organic bound fraction (oxidizable fraction), and residual fraction. Fractions were affected by redox conditions across all pH ranges. Drying decreased reducible fraction of all heavy metals. Curesidual fraction, Pboxidizable fraction, Cdresidual fraction, and Niresidual fraction increased by 25%, 33%, 35%, and >60%, respectively. Pbresidual fraction, Niacid soluble fraction, and Cdoxidizable fraction decreased 33%, 25%, and 15%, respectively. Drying paddy soil prior to heavy metal analysis overestimated Pb and underestimated Cu, Ni, and Cd. In future studies, samples should be stored after injecting N2 gas to maintain the redox potential of soil prior to heavy metal analysis, and investigate the correlation between heavy metal fraction distribution under field conditions and air-dried samples. PMID:24823670

Performance analysis for minimally nonlinear irreversible refrigerators at finite cooling power

NASA Astrophysics Data System (ADS)

Long, Rui; Liu, Zhichun; Liu, Wei

2018-04-01

The coefficient of performance (COP) for general refrigerators at finite cooling power have been systematically researched through the minimally nonlinear irreversible model, and its lower and upper bounds in different operating regions have been proposed. Under the tight coupling conditions, we have calculated the universal COP bounds under the χ figure of merit in different operating regions. When the refrigerator operates in the region with lower external flux, we obtained the general bounds (0 < ε <(√{ 9 + 8εC } - 3) / 2) under the χ figure of merit. We have also calculated the universal bounds for maximum gain in COP under different operating regions to give a further insight into the COP gain with the cooling power away from the maximum one. When the refrigerator operates in the region located between maximum cooling power and maximum COP with lower external flux, the upper bound for COP and the lower bound for relative gain in COP present large values, compared to a relative small loss from the maximum cooling power. If the cooling power is the main objective, it is desirable to operate the refrigerator at a slightly lower cooling power than at the maximum one, where a small loss in the cooling power induces a much larger COP enhancement.

Dynamics of bound water molecules in fullerenol at different hydration levels

NASA Astrophysics Data System (ADS)

Wang, Yilin; Robey, Steven; Reutt-Robey, Janice

Fullerenols, polyhydroxylated fullerenes, are of great interest as promising materials in medical application because of their high water solubility and biocompatibility. Fullerenols are highly responsive to their environment, for example, they readily undergo hydration under ambient conditions. Understanding the dynamics of water molecules bound to fullerenols, and the interplay between water molecules and fullerenols is important in realizing biological function. Here, broadband dielectric spectroscopy (BDS), was performed on a fullerenol with 44 hydroxyl groups, C60(OH)44, between 300 K and 340 K. At room temperature and under ambient conditions, C60(OH)44 is hydrated, releasing bound water molecules with increasing temperature, as quantified by thermal gravimetric analysis (TGA) measurements. At room temperature, a dielectric band due to collective bulk-like dynamics of the bound water molecules is observed. The relaxation peak of the water molecules shifts to higher frequency with increasing of temperature, reflecting the dynamics of bound water. Upon loss of water molecules, either thermally induced or vacuum induced, the relaxation peak shifts to lower frequency. The stoichiometric relationship between the dielectric properties of the hydrated fullerenol and the interplay between the bound water molecules and C60(OH)44 will be discussed. This work was supported by the National Science Foundation (NSF) under Award Number 1310380.

Demonstration of Systematic Improvements in Application of the Variational Method to Strongly Bound Potentials

ERIC Educational Resources Information Center

Ninemire, B.; Mei, W. N.

2004-01-01

In applying the variational method, six different sets of trial wave functions are used to calculate the ground state and first excited state energies of the strongly bound potentials, i.e. V(x)=x[2m], where m = 4, 5 and 6. It is shown that accurate results can be obtained from thorough analysis of the asymptotic behaviour of the solutions.…

Extremum seeking with bounded update rates

DOE PAGES

Scheinker, Alexander; Krstić, Miroslav

2013-11-16

In this work, we present a form of extremum seeking (ES) in which the unknown function being minimized enters the system’s dynamics as the argument of a cosine or sine term, thereby guaranteeing known bounds on update rates and control efforts. We present general n-dimensional optimization and stabilization results as well as 2D vehicle control, with bounded velocity and control efforts. For application to autonomous vehicles, tracking a source in a GPS denied environment with unknown orientation, this ES approach allows for smooth heading angle actuation, with constant velocity, and in application to a unicycle-type vehicle results in control abilitymore » as if the vehicle is fully actuated. Our stability analysis is made possible by the classic results of Kurzweil, Jarnik, Sussmann, and Liu, regarding systems with highly oscillatory terms. In our stability analysis, we combine the averaging results with a semi-global practical stability result under small parametric perturbations developed by Moreau and Aeyels.« less

Bifurcation and response analysis of a nonlinear flexible rotating disc immersed in bounded compressible fluid

NASA Astrophysics Data System (ADS)

Remigius, W. Dheelibun; Sarkar, Sunetra; Gupta, Sayan

2017-03-01

Use of heavy gases in centrifugal compressors for enhanced oil extraction have made the impellers susceptible to failures through acousto-elastic instabilities. This study focusses on understanding the dynamical behavior of such systems by considering the effects of the bounded fluid housed in a casing on a rotating disc. First, a mathematical model is developed that incorporates the interaction between the rotating impeller - modelled as a flexible disc - and the bounded compressible fluid medium in which it is immersed. The nonlinear effects arising due to large deformations of the disc have been included in the formulation so as to capture the post flutter behavior. A bifurcation analysis is carried out with the disc rotational speed as the bifurcation parameter to investigate the dynamical behavior of the coupled system and estimate the stability boundaries. Parametric studies reveal that the relative strengths of the various dissipation mechanisms in the coupled system play a significant role that affect the bifurcation route and the post flutter behavior in the acousto-elastic system.

Immobilization of proteins onto microbeads using a DNA binding tag for enzymatic assays.

PubMed

Kojima, Takaaki; Mizoguchi, Takuro; Ota, Eri; Hata, Jumpei; Homma, Keisuke; Zhu, Bo; Hitomi, Kiyotaka; Nakano, Hideo

2016-02-01

A novel DNA-binding protein tag, scCro-tag, which is a single-chain derivative of the bacteriophage lambda Cro repressor, has been developed to immobilize proteins of interest (POI) on a solid support through binding OR consensus DNA (ORC) that is tightly bound by the scCro protein. The scCro-tag successfully bound a transglutaminase 2 (TGase 2) substrate and manganese peroxidase (MnP) to microbeads via scaffolding DNA. The resulting protein-coated microbeads can be utilized for functional analysis of the enzymatic activity using flow cytometry. The quantity of bead-bound proteins can be enhanced by increasing the number of ORCs. In addition, proteins with the scCro-tag that were synthesized using a cell-free protein synthesis system were also immobilized onto the beads, thus indicating that this bead-based system would be applicable to high-throughput analysis of various enzymatic activities. Copyright © 2015 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Probability bounds analysis for nonlinear population ecology models.

PubMed

Enszer, Joshua A; Andrei Măceș, D; Stadtherr, Mark A

2015-09-01

Mathematical models in population ecology often involve parameters that are empirically determined and inherently uncertain, with probability distributions for the uncertainties not known precisely. Propagating such imprecise uncertainties rigorously through a model to determine their effect on model outputs can be a challenging problem. We illustrate here a method for the direct propagation of uncertainties represented by probability bounds though nonlinear, continuous-time, dynamic models in population ecology. This makes it possible to determine rigorous bounds on the probability that some specified outcome for a population is achieved, which can be a core problem in ecosystem modeling for risk assessment and management. Results can be obtained at a computational cost that is considerably less than that required by statistical sampling methods such as Monte Carlo analysis. The method is demonstrated using three example systems, with focus on a model of an experimental aquatic food web subject to the effects of contamination by ionic liquids, a new class of potentially important industrial chemicals. Copyright © 2015. Published by Elsevier Inc.

Unified Computational Methods for Regression Analysis of Zero-Inflated and Bound-Inflated Data

PubMed Central

Yang, Yan; Simpson, Douglas

2010-01-01

Bounded data with excess observations at the boundary are common in many areas of application. Various individual cases of inflated mixture models have been studied in the literature for bound-inflated data, yet the computational methods have been developed separately for each type of model. In this article we use a common framework for computing these models, and expand the range of models for both discrete and semi-continuous data with point inflation at the lower boundary. The quasi-Newton and EM algorithms are adapted and compared for estimation of model parameters. The numerical Hessian and generalized Louis method are investigated as means for computing standard errors after optimization. Correlated data are included in this framework via generalized estimating equations. The estimation of parameters and effectiveness of standard errors are demonstrated through simulation and in the analysis of data from an ultrasound bioeffect study. The unified approach enables reliable computation for a wide class of inflated mixture models and comparison of competing models. PMID:20228950

The binding of the primary water of hydration to nucleosides, CsDNA and potassium hyaluronate

NASA Astrophysics Data System (ADS)

Lukan, A. M.; Cavanaugh, D.; Whitson, K. B.; Marlowe, R. L.; Lee, S. A.; Anthony, L.; Rupprecht, A.; Mohan, V.

1998-03-01

Differential scanning calorimetry (DSC) has been used to study the eight nucleosides, CsDNA and KHA hydrated at 59% relative humidity. Thermograms were measured between 25 and 180 ^oC for scan rates of 1, 2, 5, 10 and 20 K/min. A broad endothermic transition (due to the desorption of the water) near 80 ^oC was observed for all runs. The average enthalpy of desorption per water molecule was evaluated from the area under the peak. A Kissinger analysis of these data yielded the net activation energy for desorption. Both parameters were very similar for the two biopolymers. Rayleigh scattering of Mossbauer radiation (RSMR) data(G. Albanese et al. ) Hyperfine Int. 95, 97 (1995) were analyzed via a simple harmonic oscillator model to evaluate the effective force constant of the water bound to the biopolymer. This analysis suggests that the effective force constant of water bound to HA is much larger (about 5 times) than for water bound to DNA.

Wave height estimates from pressure and velocity data at an intermediate depth in the presence of uniform currents

NASA Astrophysics Data System (ADS)

Basu, Biswajit

2017-12-01

Bounds on estimates of wave heights (valid for large amplitudes) from pressure and flow measurements at an arbitrary intermediate depth have been provided. Two-dimensional irrotational steady water waves over a flat bed with a finite depth in the presence of underlying uniform currents have been considered in the analysis. Five different upper bounds based on a combination of pressure and velocity field measurements have been derived, though there is only one available lower bound on the wave height in the case of the speed of current greater than or less than the wave speed. This article is part of the theme issue 'Nonlinear water waves'.

A passivity criterion for sampled-data bilateral teleoperation systems.

PubMed

Jazayeri, Ali; Tavakoli, Mahdi

2013-01-01

A teleoperation system consists of a teleoperator, a human operator, and a remote environment. Conditions involving system and controller parameters that ensure the teleoperator passivity can serve as control design guidelines to attain maximum teleoperation transparency while maintaining system stability. In this paper, sufficient conditions for teleoperator passivity are derived for when position error-based controllers are implemented in discrete-time. This new analysis is necessary because discretization causes energy leaks and does not necessarily preserve the passivity of the system. The proposed criterion for sampled-data teleoperator passivity imposes lower bounds on the teleoperator's robots dampings, an upper bound on the sampling time, and bounds on the control gains. The criterion is verified through simulations and experiments.

Comment on "Modified quantum-speed-limit bounds for open quantum dynamics in quantum channels"

NASA Astrophysics Data System (ADS)

Mirkin, Nicolás; Toscano, Fabricio; Wisniacki, Diego A.

2018-04-01

In a recent paper [Phys. Rev. A 95, 052118 (2017), 10.1103/PhysRevA.95.052118], the authors claim that our criticism, in Phys. Rev. A 94, 052125 (2016), 10.1103/PhysRevA.94.052125, to some quantum speed limit bounds for open quantum dynamics that appeared recently in literature are invalid. According to the authors, the problem with our analysis would be generated by an artifact of the finite-precision numerical calculations. We analytically show here that it is not possible to have any inconsistency associated with the numerical precision of calculations. Therefore, our criticism of the quantum speed limit bounds continues to be valid.

A Collaborative Evaluation of LC-MS/MS Based Methods for BMAA Analysis: Soluble Bound BMAA Found to Be an Important Fraction

PubMed Central

Faassen, Elisabeth J.; Antoniou, Maria G.; Beekman-Lukassen, Wendy; Blahova, Lucie; Chernova, Ekaterina; Christophoridis, Christophoros; Combes, Audrey; Edwards, Christine; Fastner, Jutta; Harmsen, Joop; Hiskia, Anastasia; Ilag, Leopold L.; Kaloudis, Triantafyllos; Lopicic, Srdjan; Lürling, Miquel; Mazur-Marzec, Hanna; Meriluoto, Jussi; Porojan, Cristina; Viner-Mozzini, Yehudit; Zguna, Nadezda

2016-01-01

Exposure to β-N-methylamino-l-alanine (BMAA) might be linked to the incidence of amyotrophic lateral sclerosis, Alzheimer’s disease and Parkinson’s disease. Analytical chemistry plays a crucial role in determining human BMAA exposure and the associated health risk, but the performance of various analytical methods currently employed is rarely compared. A CYANOCOST initiated workshop was organized aimed at training scientists in BMAA analysis, creating mutual understanding and paving the way towards interlaboratory comparison exercises. During this workshop, we tested different methods (extraction followed by derivatization and liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) analysis, or directly followed by LC-MS/MS analysis) for trueness and intermediate precision. We adapted three workup methods for the underivatized analysis of animal, brain and cyanobacterial samples. Based on recovery of the internal standard D3BMAA, the underivatized methods were accurate (mean recovery 80%) and precise (mean relative standard deviation 10%), except for the cyanobacterium Leptolyngbya. However, total BMAA concentrations in the positive controls (cycad seeds) showed higher variation (relative standard deviation 21%–32%), implying that D3BMAA was not a good indicator for the release of BMAA from bound forms. Significant losses occurred during workup for the derivatized method, resulting in low recovery (<10%). Most BMAA was found in a trichloroacetic acid soluble, bound form and we recommend including this fraction during analysis. PMID:26938542

Transcription Factors Bind Thousands of Active and InactiveRegions in the Drosophila Blastoderm

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

Li, Xiao-Yong; MacArthur, Stewart; Bourgon, Richard

2008-01-10

Identifying the genomic regions bound by sequence-specific regulatory factors is central both to deciphering the complex DNA cis-regulatory code that controls transcription in metazoans and to determining the range of genes that shape animal morphogenesis. Here, we use whole-genome tiling arrays to map sequences bound in Drosophila melanogaster embryos by the six maternal and gap transcription factors that initiate anterior-posterior patterning. We find that these sequence-specific DNA binding proteins bind with quantitatively different specificities to highly overlapping sets of several thousand genomic regions in blastoderm embryos. Specific high- and moderate-affinity in vitro recognition sequences for each factor are enriched inmore » bound regions. This enrichment, however, is not sufficient to explain the pattern of binding in vivo and varies in a context-dependent manner, demonstrating that higher-order rules must govern targeting of transcription factors. The more highly bound regions include all of the over forty well-characterized enhancers known to respond to these factors as well as several hundred putative new cis-regulatory modules clustered near developmental regulators and other genes with patterned expression at this stage of embryogenesis. The new targets include most of the microRNAs (miRNAs) transcribed in the blastoderm, as well as all major zygotically transcribed dorsal-ventral patterning genes, whose expression we show to be quantitatively modulated by anterior-posterior factors. In addition to these highly bound regions, there are several thousand regions that are reproducibly bound at lower levels. However, these poorly bound regions are, collectively, far more distant from genes transcribed in the blastoderm than highly bound regions; are preferentially found in protein-coding sequences; and are less conserved than highly bound regions. Together these observations suggest that many of these poorly-bound regions are not involved in early-embryonic transcriptional regulation, and a significant proportion may be nonfunctional. Surprisingly, for five of the six factors, their recognition sites are not unambiguously more constrained evolutionarily than the immediate flanking DNA, even in more highly bound and presumably functional regions, indicating that comparative DNA sequence analysis is limited in its ability to identify functional transcription factor targets.« less

Glycation is regulated by isoflavones.

PubMed

Silvan, Jose Manuel; Srey, Chou; Ames, Jennifer M; del Castillo, Maria Dolores

2014-09-01

The effect of soy isoflavones on the Maillard reaction (MR) was investigated. Model systems composed of the soy protein glycinin (10 mg mL(-1)) and fructose (40 mg mL(-1)) under basic pH (∼12) conditions were employed for testing the anti-glycative effect of the major antioxidant soy isoflavones (genistin and genistein at 10 μg mL(-1)) and a soy isoflavone-rich extract. The contents of total phenols (TPCs) and total flavonoids (TFCs) of the isoflavone-rich extract were determined. Glycinin was pre-incubated with isoflavones for 1 h and 16 h at 60 °C prior to MR. The progress of MR was estimated by analysis of free amino groups by OPA assay; carbohydrate covalently bound to the protein backbone using phenol-sulfuric acid assay, protein-bound N(ε)-(carboxymethyl)lysine (CML) by UPLC-MS and spectral analysis of fluorescent protein-bound AGEs. Genistin (10 μg mL(-1), 23 μM) and its aglycone genistein (10 μg mL(-1), 37 μM) did not prevent protein glycation (p > 0.05). The soy isoflavone-rich extract containing 2.5 mg mL(-1) of TFC efficiently decreased the amount of carbohydrate bound to the protein skeleton (20%) (p < 0.05) and formation of advanced glycation end products (AGEs) (>80%) (p < 0.05). The anti-glycative mechanism of isoflavones may be related to its conjugation to glycation sites of the protein structure (free amino groups), their antioxidant character and trapping of dicarbonyl intermediates. Extracts based on mixtures of isoflavones may be useful for producing glycated conjugates avoiding the substantial formation of AGEs bound to protein.

Optical signature of Mg-doped GaN: Transfer processes

NASA Astrophysics Data System (ADS)

Callsen, G.; Wagner, M. R.; Kure, T.; Reparaz, J. S.; Bügler, M.; Brunnmeier, J.; Nenstiel, C.; Hoffmann, A.; Hoffmann, M.; Tweedie, J.; Bryan, Z.; Aygun, S.; Kirste, R.; Collazo, R.; Sitar, Z.

2012-08-01

Mg doping of high quality, metal organic chemical vapor deposition grown GaN films results in distinct traces in their photoluminescence and photoluminescence excitation spectra. We analyze GaN:Mg grown on sapphire substrates and identify two Mg related acceptor states, one additional acceptor state and three donor states that are involved in the donor-acceptor pair band transitions situated at 3.26-3.29 eV in GaN:Mg. The presented determination of the donor-acceptor pair band excitation channels by photoluminescence excitation spectroscopy in conjunction with temperature-dependent photoluminescence measurements results in a direct determination of the donor and acceptor binding, localization, and activation energies, which is put into a broader context based on Haynes's rule. Furthermore, we analyze the biexponential decay dynamics of the photoluminescence signal of the acceptor and donor bound excitons. As all observed lifetimes scale with the localization energy of the donor and acceptor related bound excitons, defect and complex bound excitons can be excluded as their origin. Detailed analysis of the exciton transfer processes in the close energetic vicinity of the GaN band edge reveals excitation via free and bound excitonic channels but also via an excited state as resolved for the deepest localized Mg related acceptor bound exciton. For the two Mg acceptor states, we determine binding energies of 164 ± 5 and 195 ± 5 meV, which is in good agreement with recent density functional theory results. This observation confirms and quantifies the general dual nature of acceptor states in GaN based on the presented analysis of the photoluminescence and photoluminescence excitation spectra.

Pre-Test Assessment of the Upper Bound of the Drag Coefficient Repeatability of a Wind Tunnel Model

NASA Technical Reports Server (NTRS)

Ulbrich, N.; L'Esperance, A.

2017-01-01

A new method is presented that computes a pre{test estimate of the upper bound of the drag coefficient repeatability of a wind tunnel model. This upper bound is a conservative estimate of the precision error of the drag coefficient. For clarity, precision error contributions associated with the measurement of the dynamic pressure are analyzed separately from those that are associated with the measurement of the aerodynamic loads. The upper bound is computed by using information about the model, the tunnel conditions, and the balance in combination with an estimate of the expected output variations as input. The model information consists of the reference area and an assumed angle of attack. The tunnel conditions are described by the Mach number and the total pressure or unit Reynolds number. The balance inputs are the partial derivatives of the axial and normal force with respect to all balance outputs. Finally, an empirical output variation of 1.0 microV/V is used to relate both random instrumentation and angle measurement errors to the precision error of the drag coefficient. Results of the analysis are reported by plotting the upper bound of the precision error versus the tunnel conditions. The analysis shows that the influence of the dynamic pressure measurement error on the precision error of the drag coefficient is often small when compared with the influence of errors that are associated with the load measurements. Consequently, the sensitivities of the axial and normal force gages of the balance have a significant influence on the overall magnitude of the drag coefficient's precision error. Therefore, results of the error analysis can be used for balance selection purposes as the drag prediction characteristics of balances of similar size and capacities can objectively be compared. Data from two wind tunnel models and three balances are used to illustrate the assessment of the precision error of the drag coefficient.

Stiffening of flexible SUMO1 protein upon peptide-binding: Analysis with anisotropic network model.

PubMed

Sarkar, Ranja

2018-01-01

SUMO (small ubiquitin-like modifier) proteins interact with a large number of target proteins via a key regulatory event called sumoylation that encompasses activation, conjugation and ligation of SUMO proteins through specific E1, E2, and E3-type enzymes respectively. Single-molecule atomic force microscopic (AFM) experiments performed to unravel bound SUMO1 along its NC termini direction reveal that E3-ligases (in the form of small peptides) increase mechanical stability (along the axis) of the flexible protein upon binding. The experimental results are expected to correlate with the intrinsic flexibility of bound SUMO1 protein in the native state i.e., the bound conformation of SUMO1 without the binding peptide. The native protein flexibility/stiffness can be measured as a spring constant by normal mode analysis. In the present study, protein normal modes are computed from the protein structural data (as input from protein databank) via a simple anisotropic network model (ANM). ANM is computationally inexpensive and hence, can be explored to investigate and compare the native conformational dynamics of unbound and bound (without the binding partner) structures, if the corresponding structural data (NMR/X-ray) are available. The paper illustrates that SUMO1 stiffens (native flexibility decreases) along the NC termini (end-to-end) direction of the protein upon binding to small peptides; however, the degree of stiffening is peptide sequence-specific. The theoretical results are demonstrated for NMR structures of unbound SUMO1 and that bound to two peptides having short amino acid motifs and of similar size, one being an M-IR2 peptide derived from RanBP2 protein and the other one derived from PIASX protein. The peptide derived from PIASX stiffens SUMO1 remarkably which is evident from an atomic-level normal mode analysis. Copyright © 2017 Elsevier Inc. All rights reserved.

Global stabilization analysis of inertial memristive recurrent neural networks with discrete and distributed delays.

PubMed

Wang, Leimin; Zeng, Zhigang; Ge, Ming-Feng; Hu, Junhao

2018-05-02

This paper deals with the stabilization problem of memristive recurrent neural networks with inertial items, discrete delays, bounded and unbounded distributed delays. First, for inertial memristive recurrent neural networks (IMRNNs) with second-order derivatives of states, an appropriate variable substitution method is invoked to transfer IMRNNs into a first-order differential form. Then, based on nonsmooth analysis theory, several algebraic criteria are established for the global stabilizability of IMRNNs under proposed feedback control, where the cases with both bounded and unbounded distributed delays are successfully addressed. Finally, the theoretical results are illustrated via the numerical simulations. Copyright © 2018 Elsevier Ltd. All rights reserved.

Sensitive and simultaneous surface plasmon resonance detection of free and p53-bound MDM2 proteins from human sarcomas.

PubMed

Wu, Ling; Tang, Hailin; Hu, Shengqiang; Xia, Yonghong; Lu, Zhixuan; Fan, Yujuan; Wang, Zixiao; Yi, Xinyao; Zhou, Feimeng; Wang, Jianxiu

2018-04-30

Murine double minute 2 (MDM2) is an oncoprotein mediating the degradation of the tumor suppressor p53 protein. The physiological levels of MDM2 protein are closely related to malignant transformation and tumor growth. In this work, the simultaneous and label-free determination of free and p53-bound MDM2 proteins from sarcoma tissue extracts was conducted using a dual-channel surface plasmon resonance (SPR) instrument. Free MDM2 protein was measured in one fluidic channel covered with the consensus double-stranded (ds)-DNA/p53 conjugate, while MDM2 bound to p53 was captured by the consensus ds-DNA immobilized onto the other channel. To achieve higher sensitivity and to confirm specificity, an MDM2-specific monoclonal antibody (2A10) was used to recognize both the free and p53-bound MDM2 proteins. The resultant method afforded a detection limit of 0.55 pM of MDM2. The amenability of the method to the analysis of free and p53-bound MDM2 proteins was demonstrated for normal and sarcoma tissue extracts from three patients. Our data reveal that both free and total MDM2 (free and bound forms combined) proteins from sarcoma tissue extracts are of much higher concentrations than those from normal tissue extracts and the p53-bound MDM2 protein only constitutes a small fraction of the total MDM2 concentration. In comparison with enzyme-linked immunosorbent assay (ELISA), the proposed method possesses higher sensitivity, is more cost-effective, and is capable of determining free and p53-bound MDM2 proteins in clinical samples.

Fluoride-Mediated Capture of a Noncovalent Bound State of a Reversible Covalent Enzyme Inhibitor: X-ray Crystallographic Analysis of an Exceptionally Potent [alpha]-Ketoheterocycle Inhibitor of Fatty Acid Amide Hydrolase

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

Mileni, Mauro; Garfunkle, Joie; Ezzili, Cyrine

2011-11-02

Two cocrystal X-ray structures of the exceptionally potent {alpha}-ketoheterocycle inhibitor 1 (K{sub i} = 290 pM) bound to a humanized variant of rat fatty acid amide hydrolase (FAAH) are disclosed, representing noncovalently and covalently bound states of the same inhibitor with the enzyme. Key to securing the structure of the noncovalently bound state of the inhibitor was the inclusion of fluoride ion in the crystallization conditions that is proposed to bind the oxyanion hole precluding inhibitor covalent adduct formation with stabilization of the tetrahedral hemiketal. This permitted the opportunity to detect important noncovalent interactions stabilizing the binding of the inhibitormore » within the FAAH active site independent of the covalent reaction. Remarkably, noncovalently bound 1 in the presence of fluoride appears to capture the active site in the same 'in action' state with the three catalytic residues Ser241-Ser217-Lys142 occupying essentially identical positions observed in the covalently bound structure of 1, suggesting that this technique of introducing fluoride may have important applications in structural studies beyond inhibiting substrate or inhibitor oxyanion hole binding. Key insights to emerge from the studies include the observations that noncovalently bound 1 binds in its ketone (not gem diol) form, that the terminal phenyl group in the acyl side chain of the inhibitor serves as the key anchoring interaction overriding the intricate polar interactions in the cytosolic port, and that the role of the central activating heterocycle is dominated by its intrinsic electron-withdrawing properties. These two structures are also briefly compared with five X-ray structures of {alpha}-ketoheterocycle-based inhibitors bound to FAAH recently disclosed.« less

The direct reaction field hamiltonian: Analysis of the dispersion term and application to the water dimer

NASA Astrophysics Data System (ADS)

Thole, B. T.; Van Duijnen, P. Th.

1982-10-01

The induction and dispersion terms obtained from quantum-mechanical calculations with a direct reaction field hamiltonian are compared to second order perturbation theory expressions. The dispersion term is shown to give an upper bound which is a generalization of Alexander's upper bound. The model is illustrated by a calculation on the interactions in the water dimer. The long range Coulomb, induction and dispersion interactions are reasonably reproduced.

Inhibitory profiles of spices against free and protein-bound heterocyclic amines of roast beef patties as revealed by ultra-performance liquid chromatography-tandem mass spectrometry and principal component analysis.

PubMed

Chen, Jing; He, Zhiyong; Qin, Fang; Chen, Jie; Cao, Dongsheng; Guo, Fengxian; Zeng, Maomao

2017-11-15

The effects of various levels of chili pepper, Sichuan pepper, and black pepper on the amounts of 17 heterocyclic amines (HAs) from seven categories of both free and protein-bound states in roast beef patties were assessed by ultra-performance liquid chromatography-tandem mass spectrometry combined with principal component analysis. Three groups of HA, including imidazopyridines (DMIP), imidazoquinoxalines (MeIQx and 4,8-MeIQx), and β-carbolines (norharman and harman), were detected and quantified in both their free and protein-bound states, whereas PhIP was detected only in its free state, and imidazoquinolines (IQ, IQ[4,5-b], and MeIQ), α-carbolines (AαC and MeAαC), and phenylpyridines (Phe-P-1) were detected only in their protein-bound states. The results demonstrate that the peppers at all three levels had significant inhibitory effects on free PhIP, DMIP, MeIQx, and 4,8-DiMeIQx and could promote free norharman. Harman was significantly suppressed by chili pepper and black pepper, but enhanced by Sichuan pepper. All 11 protein-bound HAs, with the exception of IQ, IQ[4,5-b], and MeIQx with added chili pepper, were significantly reduced by the three peppers. The total amounts of the free and protein-bound states of all 11 HAs (1692.4 ± 78.9 ng g -1 ), imidazopyridines (5.5 ± 0.2 ng g -1 ), imidazoquinolines (7.2 ± 0.2 ng g -1 ), imidazoquinoxalines (6.9 ± 0.2 ng g -1 ), α-carbolines (20.1 ± 0.4 ng g -1 ), and β-carbolines (1651.7 ± 79.5 ng g -1 ) were suppressed by each level of all of the three peppers except for 0.5% and 1.0% chili pepper. Our findings may facilitate the inhibition of HA formation in the processing of meat products.

Effects of temperature and dissolved oxygen on sludge properties and their role in bioflocculation and settling.

PubMed

Liao, B Q; Lin, H J; Langevin, S P; Gao, W J; Leppard, G G

2011-01-01

Effects of temperature (mesophilic (35 °C) vs. thermophilic (55 °C)) and dissolved oxygen (DO) concentration (under thermophilic conditions) on sludge properties and their role in bioflocculation and settling were studied using well-controlled sequencing batch reactors fed with a synthetic wastewater comprised of glucose and inorganic nutrients. Under a similar DO level, thermophilic sludge had a poorer bioflocculating ability and settleability than that of mesophilic sludge. Under a thermophilic condition, an increase in DO level led to a poorer settleability and a slightly improved bioflocculating ability. A poorer settleability was related to a higher level of filaments. Analysis of bound extracellular polymeric substances (EPS) indicates that thermophilic sludge had a higher level of total bound EPS content than that of mesophilic sludge under a similar DO level, and an increase in DO resulted in an increase in total bound EPS content in thermophilic sludge. Surface analysis of sludge by X-ray photoelectron spectroscopy (XPS) suggests that significant differences in the surface concentrations of elements N, C, O were observed between thermophilic and mesophilic sludge, implying significant differences in bound EPS composition. The results of gel permeation chromatography indicate that the weight-averaged molecular weight (M(w)) of bound EPS covered a range of 1159 Da to 13220 Da. The distribution of EPS "species" at floc surfaces was shown by transmission electron microscopy (TEM) to be uneven; different kinds of nanoscale materials were distributed in a patchy manner at the floc-water interface. The results suggest that it is the role of specific EPS molecules rather than the quantity of bound EPS that determine the difference in bioflocculation behavior between thermophilic and mesophilic sludge. The strategy of increasing the DO level could not solve the biomass separation problems associated with thermophilic sludge. Copyright © 2010 Elsevier Ltd. All rights reserved.

Development Context Driven Change Awareness and Analysis Framework

NASA Technical Reports Server (NTRS)

Sarma, Anita; Branchaud, Josh; Dwyer, Matthew B.; Person, Suzette; Rungta, Neha

2014-01-01

Recent work on workspace monitoring allows conflict prediction early in the development process, however, these approaches mostly use syntactic differencing techniques to compare different program versions. In contrast, traditional change-impact analysis techniques analyze related versions of the program only after the code has been checked into the master repository. We propose a novel approach, De- CAF (Development Context Analysis Framework), that leverages the development context to scope a change impact analysis technique. The goal is to characterize the impact of each developer on other developers in the team. There are various client applications such as task prioritization, early conflict detection, and providing advice on testing that can benefit from such a characterization. The DeCAF framework leverages information from the development context to bound the iDiSE change impact analysis technique to analyze only the parts of the code base that are of interest. Bounding the analysis can enable DeCAF to efficiently compute the impact of changes using a combination of program dependence and symbolic execution based approaches.

Development Context Driven Change Awareness and Analysis Framework

NASA Technical Reports Server (NTRS)

Sarma, Anita; Branchaud, Josh; Dwyer, Matthew B.; Person, Suzette; Rungta, Neha; Wang, Yurong; Elbaum, Sebastian

2014-01-01

Recent work on workspace monitoring allows conflict prediction early in the development process, however, these approaches mostly use syntactic differencing techniques to compare different program versions. In contrast, traditional change-impact analysis techniques analyze related versions of the program only after the code has been checked into the master repository. We propose a novel approach, DeCAF (Development Context Analysis Framework), that leverages the development context to scope a change impact analysis technique. The goal is to characterize the impact of each developer on other developers in the team. There are various client applications such as task prioritization, early conflict detection, and providing advice on testing that can benefit from such a characterization. The DeCAF framework leverages information from the development context to bound the iDiSE change impact analysis technique to analyze only the parts of the code base that are of interest. Bounding the analysis can enable DeCAF to efficiently compute the impact of changes using a combination of program dependence and symbolic execution based approaches.

Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops

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

Kwon, Young Do; Finzi, Andrés; Wu, Xueling

2013-03-04

The HIV-1 envelope (Env) spike (gp120{sub 3}/gp41{sub 3}) undergoes considerable structural rearrangements to mediate virus entry into cells and to evade the host immune response. Engagement of CD4, the primary human receptor, fixes a particular conformation and primes Env for entry. The CD4-bound state, however, is prone to spontaneous inactivation and susceptible to antibody neutralization. How does unliganded HIV-1 maintain CD4-binding capacity and regulate transitions to the CD4-bound state? To define this mechanistically, we determined crystal structures of unliganded core gp120 from HIV-1 clades B, C, and E. Notably, all of these unliganded HIV-1 structures resembled the CD4-bound state. Conformationalmore » fixation with ligand selection and thermodynamic analysis of full-length and core gp120 interactions revealed that the tendency of HIV-1 gp120 to adopt the CD4-bound conformation was restrained by the V1/V2- and V3-variable loops. In parallel, we determined the structure of core gp120 in complex with the small molecule, NBD-556, which specifically recognizes the CD4-bound conformation of gp120. Neutralization by NBD-556 indicated that Env spikes on primary isolates rarely assume the CD4-bound conformation spontaneously, although they could do so when quaternary restraints were loosened. Together, the results suggest that the CD4-bound conformation represents a 'ground state' for the gp120 core, with variable loop and quaternary interactions restraining unliganded gp120 from 'snapping' into this conformation. A mechanism of control involving deformations in unliganded structure from a functionally critical state (e.g., the CD4-bound state) provides advantages in terms of HIV-1 Env structural diversity and resistance to antibodies and inhibitors, while maintaining elements essential for entry.« less

Content of insoluble bound phenolics in millets and their contribution to antioxidant capacity.

PubMed

Chandrasekara, Anoma; Shahidi, Fereidoon

2010-06-09

Soluble and insoluble-bound phenolic extracts of several varieties of millet (kodo, finger, foxtail, proso, pearl, and little millets) whole grains were evaluated for their phenolic contents and antioxidative efficacy using trolox equivalent antioxidant capacity (TEAC), reducing power (RP), and beta-carotene-linoleate model system as well as ferrous chelating activity. In addition, ferulic and p-coumaric acids were present in soluble and bound phenolic fractions of millets, and their contents were determined using high-performance liquid chromatography (HPLC) and HPLC-mass spectrometry (MS). Kodo millet had the highest total phenolic content, whereas proso millet possessed the least. All millet varieties showed high antioxidant activities, although the order of their efficacy was assay dependent. HPLC analysis of millet phenolic extracts demonstrated that the bound fractions contained more ferulic and p-coumaric acids compared to their soluble counterparts. The results of this study showed that soluble as well as bound fractions of millet grains are rich sources of phenolic compounds with antioxidant, metal chelating, and reducing power. The potential of whole millets as natural sources of antioxidants depends on the variety used. The importance of the insoluble bound fraction of millet as a source of ferulic acid and p-coumaric acid was established, and their contribution to the total phenolic content must be taken into account in the assessment of the antioxidant activity of millets.

Improved robustness and performance of discrete time sliding mode control systems.

PubMed

Chakrabarty, Sohom; Bartoszewicz, Andrzej

2016-11-01

This paper presents a theoretical analysis along with simulations to show that increased robustness can be achieved for discrete time sliding mode control systems by choosing the sliding variable, or the output, to be of relative degree two instead of relative degree one. In other words it successfully reduces the ultimate bound of the sliding variable compared to the ultimate bound for standard discrete time sliding mode control systems. It is also found out that for such a selection of relative degree two output of the discrete time system, the reduced order system during sliding becomes finite time stable in absence of disturbance. With disturbance, it becomes finite time ultimately bounded. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

Temperature effects on the strainrange partitioning approach for creep-fatigue analysis

NASA Technical Reports Server (NTRS)

Halford, G. R.; Hirschberg, M. H.; Manson, S. S.

1972-01-01

Examination is made of the influence of temperature on the strainrange partitioning approach to creep-fatigue. Results for Cr-Mo steel and Type 316 stainless steel show the four partitioned strainrange-life relationships to be temperature insensitive to within a factor of two on cyclic life. Monotonic creep and tensile ductilities were also found to be temperature insensitive to within a factor of two. The approach provides bounds on cyclic life that can be readily established for any type of inelastic strain cycle. Continuous strain cycling results obtained over a broad range of high temperatures and frequencies are in excellent agreement with bounds provided by the approach. The observed transition from one bound to the other is also in good agreement with the approach.

Calculating Reuse Distance from Source Code

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

Narayanan, Sri Hari Krishna; Hovland, Paul

The efficient use of a system is of paramount importance in high-performance computing. Applications need to be engineered for future systems even before the architecture of such a system is clearly known. Static performance analysis that generates performance bounds is one way to approach the task of understanding application behavior. Performance bounds provide an upper limit on the performance of an application on a given architecture. Predicting cache hierarchy behavior and accesses to main memory is a requirement for accurate performance bounds. This work presents our static reuse distance algorithm to generate reuse distance histograms. We then use these histogramsmore » to predict cache miss rates. Experimental results for kernels studied show that the approach is accurate.« less

Atom-field dressed states in slow-light waveguide QED

NASA Astrophysics Data System (ADS)

Calajó, Giuseppe; Ciccarello, Francesco; Chang, Darrick; Rabl, Peter

2016-03-01

We discuss the properties of atom-photon bound states in waveguide QED systems consisting of single or multiple atoms coupled strongly to a finite-bandwidth photonic channel. Such bound states are formed by an atom and a localized photonic excitation and represent the continuum analog of the familiar dressed states in single-mode cavity QED. Here we present a detailed analysis of the linear and nonlinear spectral features associated with single- and multiphoton dressed states and show how the formation of bound states affects the waveguide-mediated dipole-dipole interactions between separated atoms. Our results provide both a qualitative and quantitative description of the essential strong-coupling processes in waveguide QED systems, which are currently being developed in the optical and microwave regimes.

Power Analysis for Anticipated Non-Response in Randomized Block Designs

ERIC Educational Resources Information Center

Pustejovsky, James E.

2011-01-01

Recent guidance on the treatment of missing data in experiments advocates the use of sensitivity analysis and worst-case bounds analysis for addressing non-ignorable missing data mechanisms; moreover, plans for the analysis of missing data should be specified prior to data collection (Puma et al., 2009). While these authors recommend only that…

The Problem of Limited Inter-rater Agreement in Modelling Music Similarity

PubMed Central

Flexer, Arthur; Grill, Thomas

2016-01-01

One of the central goals of Music Information Retrieval (MIR) is the quantification of similarity between or within pieces of music. These quantitative relations should mirror the human perception of music similarity, which is however highly subjective with low inter-rater agreement. Unfortunately this principal problem has been given little attention in MIR so far. Since it is not meaningful to have computational models that go beyond the level of human agreement, these levels of inter-rater agreement present a natural upper bound for any algorithmic approach. We will illustrate this fundamental problem in the evaluation of MIR systems using results from two typical application scenarios: (i) modelling of music similarity between pieces of music; (ii) music structure analysis within pieces of music. For both applications, we derive upper bounds of performance which are due to the limited inter-rater agreement. We compare these upper bounds to the performance of state-of-the-art MIR systems and show how the upper bounds prevent further progress in developing better MIR systems. PMID:28190932

A fast method for finding bound systems in numerical simulations: Results from the formation of asteroid binaries

NASA Astrophysics Data System (ADS)

Leinhardt, Zoë M.; Richardson, Derek C.

2005-08-01

We present a new code ( companion) that identifies bound systems of particles in O(NlogN) time. Simple binaries consisting of pairs of mutually bound particles and complex hierarchies consisting of collections of mutually bound particles are identifiable with this code. In comparison, brute force binary search methods scale as O(N) while full hierarchy searches can be as expensive as O(N), making analysis highly inefficient for multiple data sets with N≳10. A simple test case is provided to illustrate the method. Timing tests demonstrating O(NlogN) scaling with the new code on real data are presented. We apply our method to data from asteroid satellite simulations [Durda et al., 2004. Icarus 167, 382-396; Erratum: Icarus 170, 242; reprinted article: Icarus 170, 243-257] and note interesting multi-particle configurations. The code is available at http://www.astro.umd.edu/zoe/companion/ and is distributed under the terms and conditions of the GNU Public License.

Impact of jammer side information on the performance of anti-jam systems

NASA Astrophysics Data System (ADS)

Lim, Samuel

1992-03-01

The Chernoff bound parameter, D, provides a performance measure for all coded communication systems. D can be used to determine upper-bounds on bit error probabilities (BEPs) of Viterbi decoded convolutional codes. The impact on BEP bounds of channel measurements that provide additional side information can also be evaluated with D. This memo documents the results of a Chernoff bound parameter evaluation in optimum partial-band noise jamming (OPBNJ) for both BPSK and DPSK modulation schemes. Hard and soft quantized receivers, with and without jammer side information (JSI), were examined. The results of this analysis indicate that JSI does improve decoding performance. However, a knowledge of jammer presence alone achieves a performance level comparable to soft decision decoding with perfect JSI. Furthermore, performance degradation due to the lack of JSI can be compensated for by increasing the number of levels of quantization. Therefore, an anti-jam system without JSI can be made to perform almost as well as a system with JSI.

Probabilistic Parameter Uncertainty Analysis of Single Input Single Output Control Systems

NASA Technical Reports Server (NTRS)

Smith, Brett A.; Kenny, Sean P.; Crespo, Luis G.

2005-01-01

The current standards for handling uncertainty in control systems use interval bounds for definition of the uncertain parameters. This approach gives no information about the likelihood of system performance, but simply gives the response bounds. When used in design, current methods of m-analysis and can lead to overly conservative controller design. With these methods, worst case conditions are weighted equally with the most likely conditions. This research explores a unique approach for probabilistic analysis of control systems. Current reliability methods are examined showing the strong areas of each in handling probability. A hybrid method is developed using these reliability tools for efficiently propagating probabilistic uncertainty through classical control analysis problems. The method developed is applied to classical response analysis as well as analysis methods that explore the effects of the uncertain parameters on stability and performance metrics. The benefits of using this hybrid approach for calculating the mean and variance of responses cumulative distribution functions are shown. Results of the probabilistic analysis of a missile pitch control system, and a non-collocated mass spring system, show the added information provided by this hybrid analysis.

Delta-Complete Analysis for Bounded Reachability of Hybrid Systems

DTIC Science & Technology

2014-07-16

framework makes bounded reachability of hybrid systems a much more mathematically tractable problem and show that our practical implementation can handle...step i in the hybrid trajectory to an appropriate discrete mode in H , and make sure that the flow, jump, inv, init conditions are satisfied...trajectories start with some initial state satisfying initq(x0) for some q. In each step, it follows flowq(xi,xti, t) and makes a continuous flow from xi to x t

On Nonlinear Functionals of Random Spherical Eigenfunctions

NASA Astrophysics Data System (ADS)

Marinucci, Domenico; Wigman, Igor

2014-05-01

We prove central limit theorems and Stein-like bounds for the asymptotic behaviour of nonlinear functionals of spherical Gaussian eigenfunctions. Our investigation combines asymptotic analysis of higher order moments for Legendre polynomials and, in addition, recent results on Malliavin calculus and total variation bounds for Gaussian subordinated fields. We discuss applications to geometric functionals like the defect and invariant statistics, e.g., polyspectra of isotropic spherical random fields. Both of these have relevance for applications, especially in an astrophysical environment.

Setting the Record Straight: Strong Positive Impacts Found from the National Evaluation of Upward Bound. Re-Analysis Documents Significant Positive Impacts Masked by Errors in Flawed Contractor Reports

ERIC Educational Resources Information Center

Cahalan, Margaret; Goodwin, David

2014-01-01

In January 2009, in the last week of the Bush Administration, the U.S. Department of Education (ED), upon orders from the departing political appointee staff, published the final report in a long running National Evaluation of Upward Bound (UB). The study was conducted by the contractor, Mathematica Policy Research. After more than a year in…

Limit analysis of hollow spheres or spheroids with Hill orthotropic matrix

NASA Astrophysics Data System (ADS)

Pastor, Franck; Pastor, Joseph; Kondo, Djimedo

2012-03-01

Recent theoretical studies of the literature are concerned by the hollow sphere or spheroid (confocal) problems with orthotropic Hill type matrix. They have been developed in the framework of the limit analysis kinematical approach by using very simple trial velocity fields. The present Note provides, through numerical upper and lower bounds, a rigorous assessment of the approximate criteria derived in these theoretical works. To this end, existing static 3D codes for a von Mises matrix have been easily extended to the orthotropic case. Conversely, instead of the non-obvious extension of the existing kinematic codes, a new original mixed approach has been elaborated on the basis of the plane strain structure formulation earlier developed by F. Pastor (2007). Indeed, such a formulation does not need the expressions of the unit dissipated powers. Interestingly, it delivers a numerical code better conditioned and notably more rapid than the previous one, while preserving the rigorous upper bound character of the corresponding numerical results. The efficiency of the whole approach is first demonstrated through comparisons of the results to the analytical upper bounds of Benzerga and Besson (2001) or Monchiet et al. (2008) in the case of spherical voids in the Hill matrix. Moreover, we provide upper and lower bounds results for the hollow spheroid with the Hill matrix which are compared to those of Monchiet et al. (2008).

Mechanism for verification of mismatched and homoduplex DNAs by nucleotides-bound MutS analyzed by molecular dynamics simulations.

PubMed

Ishida, Hisashi; Matsumoto, Atsushi

2016-09-01

In order to understand how MutS recognizes mismatched DNA and induces the reaction of DNA repair using ATP, the dynamics of the complexes of MutS (bound to the ADP and ATP nucleotides, or not) and DNA (with mismatched and matched base-pairs) were investigated using molecular dynamics simulations. As for DNA, the structure of the base-pairs of the homoduplex DNA which interacted with the DNA recognition site of MutS was intermittently disturbed, indicating that the homoduplex DNA was unstable. As for MutS, the disordered loops in the ATPase domains, which are considered to be necessary for the induction of DNA repair, were close to (away from) the nucleotide-binding sites in the ATPase domains when the nucleotides were (not) bound to MutS. This indicates that the ATPase domains changed their structural stability upon ATP binding using the disordered loop. Conformational analysis by principal component analysis showed that the nucleotide binding changed modes which have structurally solid ATPase domains and the large bending motion of the DNA from higher to lower frequencies. In the MutS-mismatched DNA complex bound to two nucleotides, the bending motion of the DNA at low frequency modes may play a role in triggering the formation of the sliding clamp for the following DNA-repair reaction step. Moreover, MM-PBSA/GBSA showed that the MutS-homoduplex DNA complex bound to two nucleotides was unstable because of the unfavorable interactions between MutS and DNA. This would trigger the ATP hydrolysis or separation of MutS and DNA to continue searching for mismatch base-pairs. Proteins 2016; 84:1287-1303. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

(Quasi)-convexification of Barta's (multi-extrema) bounding theorem: Inf_x\\big(\\ssty\\frac{H\\Phi(x)}{\\Phi(x)} \\big) \\le E_gr \\le Sup_x \\big(\\ssty\\frac{H\\Phi(x)}{\\Phi(x)} \\big)

NASA Astrophysics Data System (ADS)

Handy, C. R.

2006-03-01

There has been renewed interest in the exploitation of Barta's configuration space theorem (BCST) (Barta 1937 C. R. Acad. Sci. Paris 204 472) which bounds the ground-state energy, Inf_x\\big({{H\\Phi(x)}\\over {\\Phi(x)}} \\big ) \\leq E_gr \\leq Sup_x \\big({{H\\Phi(x)}\\over {\\Phi(x)}}\\big) , by using any Φ lying within the space of positive, bounded, and sufficiently smooth functions, {\\cal C} . Mouchet's (Mouchet 2005 J. Phys. A: Math. Gen. 38 1039) BCST analysis is based on gradient optimization (GO). However, it overlooks significant difficulties: (i) appearance of multi-extrema; (ii) inefficiency of GO for stiff (singular perturbation/strong coupling) problems; (iii) the nonexistence of a systematic procedure for arbitrarily improving the bounds within {\\cal C} . These deficiencies can be corrected by transforming BCST into a moments' representation equivalent, and exploiting a generalization of the eigenvalue moment method (EMM), within the context of the well-known generalized eigenvalue problem (GEP), as developed here. EMM is an alternative eigenenergy bounding, variational procedure, overlooked by Mouchet, which also exploits the positivity of the desired physical solution. Furthermore, it is applicable to Hermitian and non-Hermitian systems with complex-number quantization parameters (Handy and Bessis 1985 Phys. Rev. Lett. 55 931, Handy et al 1988 Phys. Rev. Lett. 60 253, Handy 2001 J. Phys. A: Math. Gen. 34 5065, Handy et al 2002 J. Phys. A: Math. Gen. 35 6359). Our analysis exploits various quasi-convexity/concavity theorems common to the GEP representation. We outline the general theory, and present some illustrative examples.

IR signature of the photoionization-induced hydrophobic-->hydrophilic site switching in phenol-Arn clusters

NASA Astrophysics Data System (ADS)

Ishiuchi, Shun-ichi; Sakai, Makoto; Tsuchida, Yuji; Takeda, Akihiro; Kawashima, Yasutake; Dopfer, Otto; Müller-Dethlefs, Klaus; Fujii, Masaaki

2007-09-01

IR spectra of phenol-Arn (PhOH-Arn) clusters with n =1 and 2 were measured in the neutral and cationic electronic ground states in order to determine the preferential intermolecular ligand binding motifs, hydrogen bonding (hydrophilic interaction) versus π bonding (hydrophobic interaction). Analysis of the vibrational frequencies of the OH stretching motion, νOH, observed in nanosecond IR spectra demonstrates that neutral PhOH-Ar and PhOH -Ar2 as well as cationic PhOH +-Ar have a π-bound structure, in which the Ar atoms bind to the aromatic ring. In contrast, the PhOH +-Ar2 cluster cation is concluded to have a H-bound structure, in which one Ar atom is hydrogen-bonded to the OH group. This π →H binding site switching induced by ionization was directly monitored in real time by picosecond time-resolved IR spectroscopy. The π-bound νOH band is observed just after the ionization and disappears simultaneously with the appearance of the H-bound νOH band. The analysis of the picosecond IR spectra demonstrates that (i) the π →H site switching is an elementary reaction with a time constant of ˜7ps, which is roughly independent of the available internal vibrational energy, (ii) the barrier for the isomerization reaction is rather low(<100cm-1), (iii) both the position and the width of the H-bound νOH band change with the delay time, and the time evolution of these spectral changes can be rationalized by intracluster vibrational energy redistribution occurring after the site switching. The observation of the ionization-induced switch from π bonding to H bonding in the PhOH +-Ar2 cation corresponds to the first manifestation of an intermolecular isomerization reaction in a charged aggregate.

Manipulations of Cartesian Graphs: A First Introduction to Analysis.

ERIC Educational Resources Information Center

Lowenthal, Francis; Vandeputte, Christiane

1989-01-01

Introduces an introductory module for analysis. Describes stock of basic functions and their graphs as part one and three methods as part two: transformations of simple graphs, the sum of stock functions, and upper and lower bounds. (YP)

Precise and Efficient Static Array Bound Checking for Large Embedded C Programs

NASA Technical Reports Server (NTRS)

Venet, Arnaud

2004-01-01

In this paper we describe the design and implementation of a static array-bound checker for a family of embedded programs: the flight control software of recent Mars missions. These codes are large (up to 250 KLOC), pointer intensive, heavily multithreaded and written in an object-oriented style, which makes their analysis very challenging. We designed a tool called C Global Surveyor (CGS) that can analyze the largest code in a couple of hours with a precision of 80%. The scalability and precision of the analyzer are achieved by using an incremental framework in which a pointer analysis and a numerical analysis of array indices mutually refine each other. CGS has been designed so that it can distribute the analysis over several processors in a cluster of machines. To the best of our knowledge this is the first distributed implementation of static analysis algorithms. Throughout the paper we will discuss the scalability setbacks that we encountered during the construction of the tool and their impact on the initial design decisions.

Conservation laws, bilinear forms and solitons for a fifth-order nonlinear Schrödinger equation for the attosecond pulses in an optical fiber

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

Chai, Jun; Tian, Bo, E-mail: tian_bupt@163.com; Zhen, Hui-Ling

Under investigation in this paper is a fifth-order nonlinear Schrödinger equation, which describes the propagation of attosecond pulses in an optical fiber. Based on the Lax pair, infinitely-many conservation laws are derived. With the aid of auxiliary functions, bilinear forms, one-, two- and three-soliton solutions in analytic forms are generated via the Hirota method and symbolic computation. Soliton velocity varies linearly with the coefficients of the high-order terms. Head-on interaction between the bidirectional two solitons and overtaking interaction between the unidirectional two solitons as well as the bound state are depicted. For the interactions among the three solitons, two head-onmore » and one overtaking interactions, three overtaking interactions, an interaction between a bound state and a single soliton and the bound state are displayed. Graphical analysis shows that the interactions between the two solitons are elastic, and interactions among the three solitons are pairwise elastic. Stability analysis yields the modulation instability condition for the soliton solutions.« less

Numerical Analysis of Infiltration Into a Sand Profile Bounded by a Capillary Fringe

NASA Astrophysics Data System (ADS)

Curtis, Alan A.; Watson, Keith K.

1980-04-01

The rapid response sometimes observed in a tile drain system following surface ponding of water is discussed in terms of the air compressibility effect. An earlier numerical study describing water movement into a bounded profile with a lower boundary impermeable to the passage of both air and water is reviewed with particular reference to the validity of the time-dependent boundary condition transformation used in simulating the inhibiting effects of the air pressure increase on infiltration. The extension of the transformation approach to a profile bounded by a capillary fringe is then considered in detail, and the results of numerical analyses are presented for infiltration into two columns of a fine sand initially in hydraulic equilibrium from a prior gravity drainage regime. The shorter column develops a steady state flow condition at short times which is consistent with earlier experimental findings. In contrast, the pressure of the entrapped air in the longer column gradually increases as infiltration proceeds until the analysis is terminated when air escape through the lower boundary is imminent.

Static aeroelastic analysis and tailoring of missile control fins

NASA Technical Reports Server (NTRS)

Mcintosh, S. C., Jr.; Dillenius, M. F. E.

1989-01-01

A concept for enhancing the design of control fins for supersonic tactical missiles is described. The concept makes use of aeroelastic tailoring to create fin designs (for given planforms) that limit the variations in hinge moments that can occur during maneuvers involving high load factors and high angles of attack. It combines supersonic nonlinear aerodynamic load calculations with finite-element structural modeling, static and dynamic structural analysis, and optimization. The problem definition is illustrated. The fin is at least partly made up of a composite material. The layup is fixed, and the orientations of the material principal axes are allowed to vary; these are the design variables. The objective is the magnitude of the difference between the chordwise location of the center of pressure and its desired location, calculated for a given flight condition. Three types of constraints can be imposed: upper bounds on static displacements for a given set of load conditions, lower bounds on specified natural frequencies, and upper bounds on the critical flutter damping parameter at a given set of flight speeds and altitudes. The idea is to seek designs that reduce variations in hinge moments that would otherwise occur. The block diagram describes the operation of the computer program that accomplishes these tasks. There is an option for a single analysis in addition to the optimization.

Conformational change of Sos-derived proline-rich peptide upon binding Grb2 N-terminal SH3 domain probed by NMR

NASA Astrophysics Data System (ADS)

Ogura, Kenji; Okamura, Hideyasu

2013-10-01

Growth factor receptor-bound protein 2 (Grb2) is a small adapter protein composed of a single SH2 domain flanked by two SH3 domains. The N-terminal SH3 (nSH3) domain of Grb2 binds a proline-rich region present in the guanine nucleotide releasing factor, son of sevenless (Sos). Using NMR relaxation dispersion and chemical shift analysis methods, we investigated the conformational change of the Sos-derived proline-rich peptide during the transition between the free and Grb2 nSH3-bound states. The chemical shift analysis revealed that the peptide does not present a fully random conformation but has a relatively rigid structure. The relaxation dispersion analysis detected conformational exchange of several residues of the peptide upon binding to Grb2 nSH3.

Comparisons of non-Gaussian statistical models in DNA methylation analysis.

PubMed

Ma, Zhanyu; Teschendorff, Andrew E; Yu, Hong; Taghia, Jalil; Guo, Jun

2014-06-16

As a key regulatory mechanism of gene expression, DNA methylation patterns are widely altered in many complex genetic diseases, including cancer. DNA methylation is naturally quantified by bounded support data; therefore, it is non-Gaussian distributed. In order to capture such properties, we introduce some non-Gaussian statistical models to perform dimension reduction on DNA methylation data. Afterwards, non-Gaussian statistical model-based unsupervised clustering strategies are applied to cluster the data. Comparisons and analysis of different dimension reduction strategies and unsupervised clustering methods are presented. Experimental results show that the non-Gaussian statistical model-based methods are superior to the conventional Gaussian distribution-based method. They are meaningful tools for DNA methylation analysis. Moreover, among several non-Gaussian methods, the one that captures the bounded nature of DNA methylation data reveals the best clustering performance.

Comparisons of Non-Gaussian Statistical Models in DNA Methylation Analysis

PubMed Central

Ma, Zhanyu; Teschendorff, Andrew E.; Yu, Hong; Taghia, Jalil; Guo, Jun

2014-01-01

As a key regulatory mechanism of gene expression, DNA methylation patterns are widely altered in many complex genetic diseases, including cancer. DNA methylation is naturally quantified by bounded support data; therefore, it is non-Gaussian distributed. In order to capture such properties, we introduce some non-Gaussian statistical models to perform dimension reduction on DNA methylation data. Afterwards, non-Gaussian statistical model-based unsupervised clustering strategies are applied to cluster the data. Comparisons and analysis of different dimension reduction strategies and unsupervised clustering methods are presented. Experimental results show that the non-Gaussian statistical model-based methods are superior to the conventional Gaussian distribution-based method. They are meaningful tools for DNA methylation analysis. Moreover, among several non-Gaussian methods, the one that captures the bounded nature of DNA methylation data reveals the best clustering performance. PMID:24937687

Bounding Analysis of Drinking Water Health Risks from a Spill of Hydraulic Fracturing Flowback Water.

PubMed

Rish, William R; Pfau, Edward J

2018-04-01

A bounding risk assessment is presented that evaluates possible human health risk from a hypothetical scenario involving a 10,000-gallon release of flowback water from horizontal fracturing of Marcellus Shale. The water is assumed to be spilled on the ground, infiltrates into groundwater that is a source of drinking water, and an adult and child located downgradient drink the groundwater. Key uncertainties in estimating risk are given explicit quantitative treatment using Monte Carlo analysis. Chemicals that contribute significantly to estimated health risks are identified, as are key uncertainties and variables to which risk estimates are sensitive. The results show that hypothetical exposure via drinking water impacted by chemicals in Marcellus Shale flowback water, assumed to be spilled onto the ground surface, results in predicted bounds between 10 -10 and 10 -6 (for both adult and child receptors) for excess lifetime cancer risk. Cumulative hazard indices (HI CUMULATIVE ) resulting from these hypothetical exposures have predicted bounds (5th to 95th percentile) between 0.02 and 35 for assumed adult receptors and 0.1 and 146 for assumed child receptors. Predicted health risks are dominated by noncancer endpoints related to ingestion of barium and lithium in impacted groundwater. Hazard indices above unity are largely related to exposure to lithium. Salinity taste thresholds are likely to be exceeded before drinking water exposures result in adverse health effects. The findings provide focus for policy discussions concerning flowback water risk management. They also indicate ways to improve the ability to estimate health risks from drinking water impacted by a flowback water spill (i.e., reducing uncertainty). © 2017 Society for Risk Analysis.

Analysis of basic clustering algorithms for numerical estimation of statistical averages in biomolecules.

PubMed

Anandakrishnan, Ramu; Onufriev, Alexey

2008-03-01

In statistical mechanics, the equilibrium properties of a physical system of particles can be calculated as the statistical average over accessible microstates of the system. In general, these calculations are computationally intractable since they involve summations over an exponentially large number of microstates. Clustering algorithms are one of the methods used to numerically approximate these sums. The most basic clustering algorithms first sub-divide the system into a set of smaller subsets (clusters). Then, interactions between particles within each cluster are treated exactly, while all interactions between different clusters are ignored. These smaller clusters have far fewer microstates, making the summation over these microstates, tractable. These algorithms have been previously used for biomolecular computations, but remain relatively unexplored in this context. Presented here, is a theoretical analysis of the error and computational complexity for the two most basic clustering algorithms that were previously applied in the context of biomolecular electrostatics. We derive a tight, computationally inexpensive, error bound for the equilibrium state of a particle computed via these clustering algorithms. For some practical applications, it is the root mean square error, which can be significantly lower than the error bound, that may be more important. We how that there is a strong empirical relationship between error bound and root mean square error, suggesting that the error bound could be used as a computationally inexpensive metric for predicting the accuracy of clustering algorithms for practical applications. An example of error analysis for such an application-computation of average charge of ionizable amino-acids in proteins-is given, demonstrating that the clustering algorithm can be accurate enough for practical purposes.

Redox proteomic analysis of serum from aortic anerurysm patients: insights on oxidation of specific protein target.

PubMed

Spadaccio, Cristiano; Coccia, Raffaella; Perluigi, Marzia; Pupo, Gilda; Schininà, Maria Eugenia; Giorgi, Alessandra; Blarzino, Carla; Nappi, Francesco; Sutherland, Fraser W; Chello, Massimo; Di Domenico, Fabio

2016-06-21

oxidative stress is undoubtedly one of the main players in abdominal aortic aneurysm (AAA) pathophysiology. Recent studies in AAA patients reported an increase in the indices of oxidative damage at the tissue level and in biological fluids coupled with the loss of counter-regulatory mechanisms of protection from oxidative stress. We recently reported, in a proteomic analysis of AAA patient sera, changes in the expression of several proteins exerting important modulatory activities on cellular proliferation, differentiation and response to damage. This study aimed to explore the involvement of protein oxidation, at peripheral levels, in AAA. a redox proteomic approach was used to investigate total and specific protein carbonylation and protein-bound 4-hydroxy-2-nonenal (HNE) in the serum of AAA patients compared with age-matched controls. our results show increased oxidative damage to protein as indexed by the total carbonyl levels and total protein-bound HNE. By redox proteomics we identified specific carbonylation of three serum proteins: serum retinol-binding protein, vitamin D-binding protein and fibrinogen α-chain HNE. We also identified increased protein-bound HNE levels for hemopexin, IgK chain C region and IgK chain V-III region SIE. In addition we found a high correlation between specific protein carbonylation and protein-bound HNE and the aortic diameter. Moreover the analysis of serum proteins with antioxidant activity demonstrates the oxidation of albumin together with the overexpression of transferrin, haptoglobin and HSPs 90, 70, 60 and 32. this study support the involvement of oxidative stress in the pathogenesis of AAA and might provide a further degree of knowledge in the cause-effect role of oxidative stress shedding new light on the molecular candidates involved in the disease.

Representations of Intervals and Optimal Error Bounds.

DTIC Science & Technology

1980-07-01

OAA629-8O-C-0ONI UNCLASS I FI IEDMRC TSR-2098 NL 11111L 3 -2 11111 ~ 13.6 1111 125 .4 111.6 MCROCOPY RESOLUTION TEST CHART NATIONA’ 13UREAU OF STANDARDS...geometric and harmonic means, Excess width Work Unit Number 3 (Numerical Analysis and Computer Science) Sponsored by the United States Army under...example in the next section, following which the general theory will be dis- cussed. 3 . An example of an optimal point and error bound. A simple

Using State Merging and State Pruning to Address the Path Explosion Problem Faced by Symbolic Execution

DTIC Science & Technology

2014-06-19

urgent and compelling. Recent efforts in this area automate program analysis techniques using model checking and symbolic execution [2, 5–7]. These...bounded model checking tool for x86 binary programs developed at the Air Force Institute of Technology (AFIT). Jiseki creates a bit-vector logic model based...assume there are n different paths through the function foo . The program could potentially call the function foo a bound number of times, resulting in n

Bimolecular reaction dynamics from photoelectron spectroscopy of negative ions

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

Bradforth, S.E.

1992-11-01

The transition state region of a neutral bimolecular reaction may be experimentally investigated by photoelectron spectroscopy of an appropriate negative ion. The photoelectron spectrum provides information on the spectroscopy and dynamics of the short lived transition state and may be used to develop model potential energy surfaces that are semi-quantitative in this important region. The principles of bound [yields] bound negative ion photoelectron spectroscopy are illustrated by way of an example: a full analysis of the photoelectron bands of CN[sup [minus

77 FR 24541 - Virginia Electric and Power Company, North Anna Power Station Units 1 and 2, Independent Spent...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-24

... submitted TN Calculation No. 10494-174, which performed a bounding thermal analysis using ANSYS finite element software to evaluate the misloading events. The ANSYS analysis consists of a half-symmetric, three...

Application of the bounds-analysis approach to arsenic and gallium antisite defects in gallium arsenide

DOE PAGES

Wright, A. F.; Modine, N. A.

2015-01-23

The As antisite in GaAs (AsGa) has been the subject of numerous experimental and theoretical studies. Recent density-functional-theory (DFT) studies report results in good agreement with experimental data for the +2, +1, and 0 charge states of the stable EL2 structure, the 0 charge state of the metastable EL2* structure, and the activation energy to transform from EL2* to EL2 in the 0 charge state. However, these studies did not report results for EL2* in the -1 charge state. In this paper, we report new DFT results for the +2, +1, 0, and -1 charge states of AsGa, obtained usingmore » a semilocal exchange-correlation functional and interpreted using a bounds-analysis approach. In good agreement with experimental data, we find a -1/0 EL2* level 0.06 eV below the conduction-band edge and an activation energy of 0.05 eV to transform from EL2* to EL2 in the -1 charge state. While the Ga antisite in GaAs (GaAs) has not been studied as extensively as AsGa, experimental studies report three charge states (-2, -1, 0) and two levels (-2/-1, -1/0) close to the valence-band edge. Recent DFT studies report the same charge states, but the levels are found to be well-separated from the valence-band edge. To resolve this disagreement, we performed new DFT calculations for GaAs and interpreted them using a bounds analysis. The analysis identified the -1 and 0 charge states as hole states weakly bound to a highly-localized -2 charge state. Moreover, the -2/-1, -1/0 levels were found to be near the valence-band edge, in good agreement with the experimental data.« less

Hölder Regularity of the 2D Dual Semigeostrophic Equations via Analysis of Linearized Monge-Ampère Equations

NASA Astrophysics Data System (ADS)

Le, Nam Q.

2018-05-01

We obtain the Hölder regularity of time derivative of solutions to the dual semigeostrophic equations in two dimensions when the initial potential density is bounded away from zero and infinity. Our main tool is an interior Hölder estimate in two dimensions for an inhomogeneous linearized Monge-Ampère equation with right hand side being the divergence of a bounded vector field. As a further application of our Hölder estimate, we prove the Hölder regularity of the polar factorization for time-dependent maps in two dimensions with densities bounded away from zero and infinity. Our applications improve previous work by G. Loeper who considered the cases of densities sufficiently close to a positive constant.

Coupling of phonons with excitons bound to different donors and acceptors in hexagonal GaN

NASA Astrophysics Data System (ADS)

Korona, K. P.; Wysmoek, A.; Kuhl, J.; Kamiska, M.; Baranowski, J. M.; Look, D. C.; Park, S. S.

2006-06-01

Time-resolved measurements of GaN with different donors (oxygen or silicon) and acceptors (zinc or magnesium) showed pronounced bound exciton lines and their phonon replicas. The analysis included three phonon modes characteristic for the wurtzite (hexagonal) phase: A1(LO), E1(TO) and E2H. It was shown that relative amplitudes of replicas depended upon the chemical nature of the defects that the bind excitons. The replicas were stronger for acceptor- than for donor-related features. Huang-Rhys factors S = 0.06 +/- 0.02 and S = 0.025 +/- 0.01, were found for the A0X and the D0X LO replicas, respectively. A significant difference in phonon coupling to silicon and oxygen donor bound excitons has been observed.

Sensitivity analysis of limit state functions for probability-based plastic design

NASA Technical Reports Server (NTRS)

Frangopol, D. M.

1984-01-01

The evaluation of the total probability of a plastic collapse failure P sub f for a highly redundant structure of random interdependent plastic moments acted on by random interdepedent loads is a difficult and computationally very costly process. The evaluation of reasonable bounds to this probability requires the use of second moment algebra which involves man statistical parameters. A computer program which selects the best strategy for minimizing the interval between upper and lower bounds of P sub f is now in its final stage of development. The relative importance of various uncertainties involved in the computational process on the resulting bounds of P sub f, sensitivity is analyzed. Response sensitivities for both mode and system reliability of an ideal plastic portal frame are shown.

Enhnacing the science of the WFIRST coronagraph instrument with post-processing.

NASA Astrophysics Data System (ADS)

Pueyo, Laurent; WFIRST CGI data analysis and post-processing WG

2018-01-01

We summarize the results of a three years effort investigating how to apply to the WFIRST coronagraph instrument (CGI) modern image analysis methods, now routinely used with ground-based coronagraphs. In this post we quantify the gain associated post-processing for WFIRST-CGI observing scenarios simulated between 2013 and 2017. We also show based one simulations that spectrum of planet can be confidently retrieved using these processing tools with and Integral Field Spectrograph. We then discuss our work using CGI experimental data and quantify coronagraph post-processing testbed gains. We finally introduce stability metrics that are simple to define and measure, and place useful lower bound and upper bounds on the achievable RDI post-processing contrast gain. We show that our bounds hold in the case of the testbed data.

Structural Changes Due to Antagonist Binding in Ligand Binding Pocket of Androgen Receptor Elucidated Through Molecular Dynamics Simulations.

PubMed

Sakkiah, Sugunadevi; Kusko, Rebecca; Pan, Bohu; Guo, Wenjing; Ge, Weigong; Tong, Weida; Hong, Huixiao

2018-01-01

When a small molecule binds to the androgen receptor (AR), a conformational change can occur which impacts subsequent binding of co-regulator proteins and DNA. In order to accurately study this mechanism, the scientific community needs a crystal structure of the Wild type AR (WT-AR) ligand binding domain, bound with antagonist. To address this open need, we leveraged molecular docking and molecular dynamics (MD) simulations to construct a structure of the WT-AR ligand binding domain bound with antagonist bicalutamide. The structure of mutant AR (Mut-AR) bound with this same antagonist informed this study. After molecular docking analysis pinpointed the suitable binding orientation of a ligand in AR, the model was further optimized through 1 μs of MD simulations. Using this approach, three molecular systems were studied: (1) WT-AR bound with agonist R1881, (2) WT-AR bound with antagonist bicalutamide, and (3) Mut-AR bound with bicalutamide. Our structures were very similar to the experimentally determined structures of both WT-AR with R1881 and Mut-AR with bicalutamide, demonstrating the trustworthiness of this approach. In our model, when WT-AR is bound with bicalutamide, Val716/Lys720/Gln733, or Met734/Gln738/Glu897 move and thus disturb the positive and negative charge clumps of the AF2 site. This disruption of the AF2 site is key for understanding the impact of antagonist binding on subsequent co-regulator binding. In conclusion, the antagonist induced structural changes in WT-AR detailed in this study will enable further AR research and will facilitate AR targeting drug discovery.

Theoretical Bounds of Direct Binary Search Halftoning.

PubMed

Liao, Jan-Ray

2015-11-01

Direct binary search (DBS) produces the images of the best quality among half-toning algorithms. The reason is that it minimizes the total squared perceived error instead of using heuristic approaches. The search for the optimal solution involves two operations: (1) toggle and (2) swap. Both operations try to find the binary states for each pixel to minimize the total squared perceived error. This error energy minimization leads to a conjecture that the absolute value of the filtered error after DBS converges is bounded by half of the peak value of the autocorrelation filter. However, a proof of the bound's existence has not yet been found. In this paper, we present a proof that shows the bound existed as conjectured under the condition that at least one swap occurs after toggle converges. The theoretical analysis also indicates that a swap with a pixel further away from the center of the autocorrelation filter results in a tighter bound. Therefore, we propose a new DBS algorithm which considers toggle and swap separately, and the swap operations are considered in the order from the edge to the center of the filter. Experimental results show that the new algorithm is more efficient than the previous algorithm and can produce half-toned images of the same quality as the previous algorithm.

Lysine-Derived Protein-Bound Heyns Compounds in Bakery Products.

PubMed

Treibmann, Stephanie; Hellwig, Anne; Hellwig, Michael; Henle, Thomas

2017-12-06

Fructose and dicarbonyl compounds resulting from fructose in heated foods have been linked to pathophysiological pathways of several metabolic disorders. Up to now, very little has been known about the Maillard reaction of fructose in food. Heyns rearrangement compounds (HRCs), the first stable intermediates of the Maillard reaction between amino components and fructose, have not yet been quantitated as protein-bound products in food. Therefore, the HRCs glucosyllysine and mannosyllysine were synthesized and characterized by NMR. Protein-bound HRCs in cookies containing various sugars and in commercial bakery products were quantitated after enzymatic hydrolysis by RP-HPLC-ESI-MS/MS in the multiple reaction monitoring mode through application of the standard addition method. Protein-bound HRCs were quantitated for the first time in model cookies and in commercial bakery products containing honey, banana, and invert sugar syrup. Concentrations of HRCs from 19 to 287 mg/kg were found, which were similar to or exceeded the content of other frequently analyzed Maillard reaction products, such as N-ε-carboxymethyllysine (10-76 mg/kg), N-ε-carboxyethyllysine (2.5-53 mg/kg), and methylglyoxal-derived hydroimidazolone 1 (10-218 mg/kg) in the analyzed cookies. These results show that substantial amounts of HRCs form during food processing. Analysis of protein-bound HRCs in cookies is therefore useful to evaluate the Maillard reaction of fructose.

Exact lower and upper bounds on stationary moments in stochastic biochemical systems

NASA Astrophysics Data System (ADS)

Ghusinga, Khem Raj; Vargas-Garcia, Cesar A.; Lamperski, Andrew; Singh, Abhyudai

2017-08-01

In the stochastic description of biochemical reaction systems, the time evolution of statistical moments for species population counts is described by a linear dynamical system. However, except for some ideal cases (such as zero- and first-order reaction kinetics), the moment dynamics is underdetermined as lower-order moments depend upon higher-order moments. Here, we propose a novel method to find exact lower and upper bounds on stationary moments for a given arbitrary system of biochemical reactions. The method exploits the fact that statistical moments of any positive-valued random variable must satisfy some constraints that are compactly represented through the positive semidefiniteness of moment matrices. Our analysis shows that solving moment equations at steady state in conjunction with constraints on moment matrices provides exact lower and upper bounds on the moments. These results are illustrated by three different examples—the commonly used logistic growth model, stochastic gene expression with auto-regulation and an activator-repressor gene network motif. Interestingly, in all cases the accuracy of the bounds is shown to improve as moment equations are expanded to include higher-order moments. Our results provide avenues for development of approximation methods that provide explicit bounds on moments for nonlinear stochastic systems that are otherwise analytically intractable.

The bglA Gene of Aspergillus kawachii Encodes Both Extracellular and Cell Wall-Bound β-Glucosidases

PubMed Central

Iwashita, Kazuhiro; Nagahara, Tatsuya; Kimura, Hitoshi; Takano, Makoto; Shimoi, Hitoshi; Ito, Kiyoshi

1999-01-01

We cloned the genomic DNA and cDNA of bglA, which encodes β-glucosidase in Aspergillus kawachii, based on a partial amino acid sequence of purified cell wall-bound β-glucosidase CB-1. The nucleotide sequence of the cloned bglA gene revealed a 2,933-bp open reading frame with six introns that encodes an 860-amino-acid protein. Based on the deduced amino acid sequence, we concluded that the bglA gene encodes cell wall-bound β-glucosidase CB-1. The amino acid sequence exhibited high levels of homology with the amino acid sequences of fungal β-glucosidases classified in subfamily B. We expressed the bglA cDNA in Saccharomyces cerevisiae and detected the recombinant β-glucosidase in the periplasm fraction of the recombinant yeast. A. kawachii can produce two extracellular β-glucosidases (EX-1 and EX-2) in addition to the cell wall-bound β-glucosidase. A. kawachii in which the bglA gene was disrupted produced none of the three β-glucosidases, as determined by enzyme assays and a Western blot analysis. Thus, we concluded that the bglA gene encodes both extracellular and cell wall-bound β-glucosidases in A. kawachii. PMID:10584016

Development of an Uncertainty Quantification Predictive Chemical Reaction Model for Syngas Combustion

DOE PAGES

Slavinskaya, N. A.; Abbasi, M.; Starcke, J. H.; ...

2017-01-24

An automated data-centric infrastructure, Process Informatics Model (PrIMe), was applied to validation and optimization of a syngas combustion model. The Bound-to-Bound Data Collaboration (B2BDC) module of PrIMe was employed to discover the limits of parameter modifications based on uncertainty quantification (UQ) and consistency analysis of the model–data system and experimental data, including shock-tube ignition delay times and laminar flame speeds. Existing syngas reaction models are reviewed, and the selected kinetic data are described in detail. Empirical rules were developed and applied to evaluate the uncertainty bounds of the literature experimental data. Here, the initial H 2/CO reaction model, assembled frommore » 73 reactions and 17 species, was subjected to a B2BDC analysis. For this purpose, a dataset was constructed that included a total of 167 experimental targets and 55 active model parameters. Consistency analysis of the composed dataset revealed disagreement between models and data. Further analysis suggested that removing 45 experimental targets, 8 of which were self-inconsistent, would lead to a consistent dataset. This dataset was subjected to a correlation analysis, which highlights possible directions for parameter modification and model improvement. Additionally, several methods of parameter optimization were applied, some of them unique to the B2BDC framework. The optimized models demonstrated improved agreement with experiments compared to the initially assembled model, and their predictions for experiments not included in the initial dataset (i.e., a blind prediction) were investigated. The results demonstrate benefits of applying the B2BDC methodology for developing predictive kinetic models.« less

Development of an Uncertainty Quantification Predictive Chemical Reaction Model for Syngas Combustion

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

Slavinskaya, N. A.; Abbasi, M.; Starcke, J. H.

An automated data-centric infrastructure, Process Informatics Model (PrIMe), was applied to validation and optimization of a syngas combustion model. The Bound-to-Bound Data Collaboration (B2BDC) module of PrIMe was employed to discover the limits of parameter modifications based on uncertainty quantification (UQ) and consistency analysis of the model–data system and experimental data, including shock-tube ignition delay times and laminar flame speeds. Existing syngas reaction models are reviewed, and the selected kinetic data are described in detail. Empirical rules were developed and applied to evaluate the uncertainty bounds of the literature experimental data. Here, the initial H 2/CO reaction model, assembled frommore » 73 reactions and 17 species, was subjected to a B2BDC analysis. For this purpose, a dataset was constructed that included a total of 167 experimental targets and 55 active model parameters. Consistency analysis of the composed dataset revealed disagreement between models and data. Further analysis suggested that removing 45 experimental targets, 8 of which were self-inconsistent, would lead to a consistent dataset. This dataset was subjected to a correlation analysis, which highlights possible directions for parameter modification and model improvement. Additionally, several methods of parameter optimization were applied, some of them unique to the B2BDC framework. The optimized models demonstrated improved agreement with experiments compared to the initially assembled model, and their predictions for experiments not included in the initial dataset (i.e., a blind prediction) were investigated. The results demonstrate benefits of applying the B2BDC methodology for developing predictive kinetic models.« less

Hestian Hermeneutics: A Lens of Analysis for Home Economics.

ERIC Educational Resources Information Center

Thompson, Patricia J.

Feminist and women scholars in all disciplines have challenged the traditional masculist "lens of analysis" and have sought to bring into focus the "missing text" of female experience. This paper proposes an alternative to gender-bound lens of analysis because either or both masculist and feminist lenses are too limited to…

Improved methods of vibration analysis of pretwisted, airfoil blades

NASA Technical Reports Server (NTRS)

Subrahmanyam, K. B.; Kaza, K. R. V.

1984-01-01

Vibration analysis of pretwisted blades of asymmetric airfoil cross section is performed by using two mixed variational approaches. Numerical results obtained from these two methods are compared to those obtained from an improved finite difference method and also to those given by the ordinary finite difference method. The relative merits, convergence properties and accuracies of all four methods are studied and discussed. The effects of asymmetry and pretwist on natural frequencies and mode shapes are investigated. The improved finite difference method is shown to be far superior to the conventional finite difference method in several respects. Close lower bound solutions are provided by the improved finite difference method for untwisted blades with a relatively coarse mesh while the mixed methods have not indicated any specific bound.

The SURE reliability analysis program

NASA Technical Reports Server (NTRS)

Butler, R. W.

1986-01-01

The SURE program is a new reliability tool for ultrareliable computer system architectures. The program is based on computational methods recently developed for the NASA Langley Research Center. These methods provide an efficient means for computing accurate upper and lower bounds for the death state probabilities of a large class of semi-Markov models. Once a semi-Markov model is described using a simple input language, the SURE program automatically computes the upper and lower bounds on the probability of system failure. A parameter of the model can be specified as a variable over a range of values directing the SURE program to perform a sensitivity analysis automatically. This feature, along with the speed of the program, makes it especially useful as a design tool.

Dynamic Analysis of the Melanoma Model: From Cancer Persistence to Its Eradication

NASA Astrophysics Data System (ADS)

Starkov, Konstantin E.; Jimenez Beristain, Laura

In this paper, we study the global dynamics of the five-dimensional melanoma model developed by Kronik et al. This model describes interactions of tumor cells with cytotoxic T cells and respective cytokines under cellular immunotherapy. We get the ultimate upper and lower bounds for variables of this model, provide formulas for equilibrium points and present local asymptotic stability/hyperbolic instability conditions. Next, we prove the existence of the attracting set. Based on these results we come to global asymptotic melanoma eradication conditions via global stability analysis. Finally, we provide bounds for a locus of the melanoma persistence equilibrium point, study the case of melanoma persistence and describe conditions under which we observe global attractivity to the unique melanoma persistence equilibrium point.

Some peculiarities of interactions of weakly bound lithium nuclei at near-barrier energies

NASA Astrophysics Data System (ADS)

Kabyshev, A. M.; Kuterbekov, K. A.; Sobolev, Yu G.; Penionzhkevich, Yu E.; Kubenova, M. M.; Azhibekov, A. K.; Mukhambetzhan, A. M.; Lukyanov, S. M.; Maslov, V. A.; Kabdrakhimova, G. D.

2018-02-01

This paper presents new experimental data on the total cross sections of 9Li + 28Si reactions at low energies as well as the analysis of previously obtained data for 6,7Li. Based on a large collection of data (authors’ and literature data) we carried out a comparative analysis of the two main experimental interaction cross sections (angular distributions of the differential cross sections and total reaction cross sections) for weakly bound lithium (6-9Li, 11Li) nuclei in the framework of Kox parameterization and the macroscopic optical model. We identified specific features of these interactions and predicted the experimental trend in the total reaction cross sections for Li isotopes at energies close to the Coulomb barrier.

Homogeneous purification and characterization of LePGT1--a membrane-bound aromatic substrate prenyltransferase involved in secondary metabolism of Lithospermum erythrorhizon.

PubMed

Ohara, Kazuaki; Mito, Koji; Yazaki, Kazufumi

2013-06-01

Membrane-bound type prenyltransferases for aromatic substrates play crucial roles in the biosynthesis of various natural compounds. Lithospermum erythrorhizon p-hydroxybenzoate: geranyltransferase (LePGT1), which contains multiple transmembrane α-helices, is involved in the biosynthesis of a red naphthoquinone pigment, shikonin. Taking LePGT1 as a model membrane-bound aromatic substrate prenyltransferase, we utilized a baculovirus-Sf9 expression system to generate a high yield LePGT1 polypeptide, reaching ~ 1000-fold higher expression level compared with a yeast expression system. Efficient solubilization procedures and biochemical purification methods were developed to extract LePGT1 from the membrane fraction of Sf9 cells. As a result, 80 μg of LePGT1 was purified from 150 mL culture to almost homogeneity as judged by SDS/PAGE. Using purified LePGT1, enzymatic characterization, e.g. substrate specificity, divalent cation requirement and kinetic analysis, was done. In addition, inhibition experiments revealed that aromatic compounds having two phenolic hydroxyl groups effectively inhibited LePGT1 enzyme activity, suggesting a novel recognition mechanism for aromatic substrates. As the first example of solubilization and purification of this membrane-bound protein family, the methods established in this study will provide valuable information for the precise biochemical characterization of aromatic prenyltransferases as well as for crystallographic analysis of this novel enzyme family. © 2013 The Authors Journal compilation © 2013 FEBS.

Evidence for soft bounds in Ubuntu package sizes and mammalian body masses.

PubMed

Gherardi, Marco; Mandrà, Salvatore; Bassetti, Bruno; Cosentino Lagomarsino, Marco

2013-12-24

The development of a complex system depends on the self-coordinated action of a large number of agents, often determining unexpected global behavior. The case of software evolution has great practical importance: knowledge of what is to be considered atypical can guide developers in recognizing and reacting to abnormal behavior. Although the initial framework of a theory of software exists, the current theoretical achievements do not fully capture existing quantitative data or predict future trends. Here we show that two elementary laws describe the evolution of package sizes in a Linux-based operating system: first, relative changes in size follow a random walk with non-Gaussian jumps; second, each size change is bounded by a limit that is dependent on the starting size, an intriguing behavior that we call "soft bound." Our approach is based on data analysis and on a simple theoretical model, which is able to reproduce empirical details without relying on any adjustable parameter and generates definite predictions. The same analysis allows us to formulate and support the hypothesis that a similar mechanism is shaping the distribution of mammalian body sizes, via size-dependent constraints during cladogenesis. Whereas generally accepted approaches struggle to reproduce the large-mass shoulder displayed by the distribution of extant mammalian species, this is a natural consequence of the softly bounded nature of the process. Additionally, the hypothesis that this model is valid has the relevant implication that, contrary to a common assumption, mammalian masses are still evolving, albeit very slowly.

Future trends in computer waste generation in India.

PubMed

Dwivedy, Maheshwar; Mittal, R K

2010-11-01

The objective of this paper is to estimate the future projection of computer waste in India and to subsequently analyze their flow at the end of their useful phase. For this purpose, the study utilizes the logistic model-based approach proposed by Yang and Williams to forecast future trends in computer waste. The model estimates future projection of computer penetration rate utilizing their first lifespan distribution and historical sales data. A bounding analysis on the future carrying capacity was simulated using the three parameter logistic curve. The observed obsolete generation quantities from the extrapolated penetration rates are then used to model the disposal phase. The results of the bounding analysis indicate that in the year 2020, around 41-152 million units of computers will become obsolete. The obsolete computer generation quantities are then used to estimate the End-of-Life outflows by utilizing a time-series multiple lifespan model. Even a conservative estimate of the future recycling capacity of PCs will reach upwards of 30 million units during 2025. Apparently, more than 150 million units could be potentially recycled in the upper bound case. However, considering significant future investment in the e-waste recycling sector from all stakeholders in India, we propose a logistic growth in the recycling rate and estimate the requirement of recycling capacity between 60 and 400 million units for the lower and upper bound case during 2025. Finally, we compare the future obsolete PC generation amount of the US and India. Copyright © 2010 Elsevier Ltd. All rights reserved.

Probing gravitational parity violation with gravitational waves from stellar-mass black hole binaries

NASA Astrophysics Data System (ADS)

Yagi, Kent; Yang, Huan

2018-05-01

The recent discovery of gravitational-wave events has offered us unique test beds of gravity in the strong and dynamical field regime. One possible modification to General Relativity is the gravitational parity violation that arises naturally from quantum gravity. Such parity violation gives rise to the so-called amplitude birefringence in gravitational waves, in which one of the circularly polarized modes is amplified while the other one is suppressed during their propagation. In this paper, we study how well one can measure gravitational parity violation via the amplitude birefringence effect of gravitational waves sourced by stellar-mass black hole binaries. We choose Chern-Simons gravity as an example and work within an effective field theory formalism to ensure that the approximate theory is well posed. We consider gravitational waves from both individual sources and stochastic gravitational-wave backgrounds. Regarding bounds from individual sources, we estimate such bounds using a Fisher analysis and carry out Monte Carlo simulations by randomly distributing sources over their sky location and binary orientation. We find that the bounds on the scalar field evolution in Chern-Simons gravity from the recently discovered gravitational-wave events are too weak to satisfy the weak Chern-Simons approximation, while aLIGO with its design sensitivity can place meaningful bounds. Regarding bounds from stochastic gravitational-wave backgrounds, we set the threshold signal-to-noise ratio for detection of the parity-violation mode as 5 and estimate projected bounds with future detectors assuming that signals are consistent with no parity violation. In an ideal situation in which all the source parameters and binary black hole merger-rate history are known a priori, we find that a network of two third-generation detectors is able to place bounds that are comparable to or slightly stronger than binary pulsar bounds. In a more realistic situation in which one does not have such information beforehand, approximate bounds can be derived if the regular parity-insensitive mode is detected and the peak redshift of the merger-rate history is known theoretically. Since gravitational-wave observations probe either the difference in parity violation between the source and the detector (with individual sources) or the line-of-sight cosmological integration of the scalar field (with gravitational-wave backgrounds), such bounds are complementary to local measurements from solar system experiments and binary pulsar observations.

Impact of Damping Uncertainty on SEA Model Response Variance

NASA Technical Reports Server (NTRS)

Schiller, Noah; Cabell, Randolph; Grosveld, Ferdinand

2010-01-01

Statistical Energy Analysis (SEA) is commonly used to predict high-frequency vibroacoustic levels. This statistical approach provides the mean response over an ensemble of random subsystems that share the same gross system properties such as density, size, and damping. Recently, techniques have been developed to predict the ensemble variance as well as the mean response. However these techniques do not account for uncertainties in the system properties. In the present paper uncertainty in the damping loss factor is propagated through SEA to obtain more realistic prediction bounds that account for both ensemble and damping variance. The analysis is performed on a floor-equipped cylindrical test article that resembles an aircraft fuselage. Realistic bounds on the damping loss factor are determined from measurements acquired on the sidewall of the test article. The analysis demonstrates that uncertainties in damping have the potential to significantly impact the mean and variance of the predicted response.

Vii. New Kr IV - VII Oscillator Strengths and an Improved Spectral Analysis of the Hot, Hydrogen-deficient Do-type White Dwarf RE 0503-289

NASA Technical Reports Server (NTRS)

Rauch, T.; Quinet, P.; Hoyer, D.; Werner, K.; Richter, P.; Kruk, J. W.; Demleitner, M.

2016-01-01

For the spectral analysis of high-resolution and high signal-to-noise (SN) spectra of hot stars, state-of-the-art non-local thermodynamic equilibrium (NLTE) model atmospheres are mandatory. These are strongly dependent on the reliability of the atomic data that is used for their calculation. Aims. New Krivvii oscillator strengths for a large number of lines enable us to construct more detailed model atoms for our NLTEmodel-atmosphere calculations. This enables us to search for additional Kr lines in observed spectra and to improve Kr abundance determinations. Methods. We calculated Krivvii oscillator strengths to consider radiative and collisional bound-bound transitions in detail in our NLTE stellar-atmosphere models for the analysis of Kr lines that are exhibited in high-resolution and high SN ultraviolet (UV)observations of the hot white dwarf RE 0503.

Qualitative fusion technique based on information poor system and its application to factor analysis for vibration of rolling bearings

NASA Astrophysics Data System (ADS)

Xia, Xintao; Wang, Zhongyu

2008-10-01

For some methods of stability analysis of a system using statistics, it is difficult to resolve the problems of unknown probability distribution and small sample. Therefore, a novel method is proposed in this paper to resolve these problems. This method is independent of probability distribution, and is useful for small sample systems. After rearrangement of the original data series, the order difference and two polynomial membership functions are introduced to estimate the true value, the lower bound and the supper bound of the system using fuzzy-set theory. Then empirical distribution function is investigated to ensure confidence level above 95%, and the degree of similarity is presented to evaluate stability of the system. Cases of computer simulation investigate stable systems with various probability distribution, unstable systems with linear systematic errors and periodic systematic errors and some mixed systems. The method of analysis for systematic stability is approved.

Improved statistical fluctuation analysis for measurement-device-independent quantum key distribution with four-intensity decoy-state method.

PubMed

Mao, Chen-Chen; Zhou, Xing-Yu; Zhu, Jian-Rong; Zhang, Chun-Hui; Zhang, Chun-Mei; Wang, Qin

2018-05-14

Recently Zhang et al [ Phys. Rev. A95, 012333 (2017)] developed a new approach to estimate the failure probability for the decoy-state BB84 QKD system when taking finite-size key effect into account, which offers security comparable to Chernoff bound, while results in an improved key rate and transmission distance. Based on Zhang et al's work, now we extend this approach to the case of the measurement-device-independent quantum key distribution (MDI-QKD), and for the first time implement it onto the four-intensity decoy-state MDI-QKD system. Moreover, through utilizing joint constraints and collective error-estimation techniques, we can obviously increase the performance of practical MDI-QKD systems compared with either three- or four-intensity decoy-state MDI-QKD using Chernoff bound analysis, and achieve much higher level security compared with those applying Gaussian approximation analysis.

Continuous adsorption and biotransformation of micropollutants by granular activated carbon-bound laccase in a packed-bed enzyme reactor.

PubMed

Nguyen, Luong N; Hai, Faisal I; Dosseto, Anthony; Richardson, Christopher; Price, William E; Nghiem, Long D

2016-06-01

Laccase was immobilized on granular activated carbon (GAC) and the resulting GAC-bound laccase was used to degrade four micropollutants in a packed-bed column. Compared to the free enzyme, the immobilized laccase showed high residual activities over a broad range of pH and temperature. The GAC-bound laccase efficiently removed four micropollutants, namely, sulfamethoxazole, carbamazepine, diclofenac and bisphenol A, commonly detected in raw wastewater and wastewater-impacted water sources. Mass balance analysis showed that these micropollutants were enzymatically degraded following adsorption onto GAC. Higher degradation efficiency of micropollutants by the immobilized compared to free laccase was possibly due to better electron transfer between laccase and substrate molecules once they have adsorbed onto the GAC surface. Results here highlight the complementary effects of adsorption and enzymatic degradation on micropollutant removal by GAC-bound laccase. Indeed laccase-immobilized GAC outperformed regular GAC during continuous operation of packed-bed columns over two months (a throughput of 12,000 bed volumes). Copyright © 2016 Elsevier Ltd. All rights reserved.

Channel branching ratios in CH2CN- photodetachment: Rotational structure and vibrational energy redistribution in autodetachment

NASA Astrophysics Data System (ADS)

Lyle, Justin; Wedig, Olivia; Gulania, Sahil; Krylov, Anna I.; Mabbs, Richard

2017-12-01

We report photoelectron spectra of CH2CN-, recorded at photon energies between 13 460 and 15 384 cm-1, which show rapid intensity variations in particular detachment channels. The branching ratios for various spectral features reveal rotational structure associated with autodetachment from an intermediate anion state. Calculations using equation-of-motion coupled-cluster method with single and double excitations reveal the presence of two dipole-bound excited anion states (a singlet and a triplet). The computed oscillator strength for the transition to the singlet dipole-bound state provides an estimate of the autodetachment channel contribution to the total photoelectron yield. Analysis of the different spectral features allows identification of the dipole-bound and neutral vibrational levels involved in the autodetachment processes. For the most part, the autodetachment channels are consistent with the vibrational propensity rule and normal mode expectation. However, examination of the rotational structure shows that autodetachment from the ν3 (v = 1 and v = 2) levels of the dipole-bound state displays behavior counter to the normal mode expectation with the final state vibrational level belonging to a different mode.

Analysis of Online Composite Mirror Descent Algorithm.

PubMed

Lei, Yunwen; Zhou, Ding-Xuan

2017-03-01

We study the convergence of the online composite mirror descent algorithm, which involves a mirror map to reflect the geometry of the data and a convex objective function consisting of a loss and a regularizer possibly inducing sparsity. Our error analysis provides convergence rates in terms of properties of the strongly convex differentiable mirror map and the objective function. For a class of objective functions with Hölder continuous gradients, the convergence rates of the excess (regularized) risk under polynomially decaying step sizes have the order [Formula: see text] after [Formula: see text] iterates. Our results improve the existing error analysis for the online composite mirror descent algorithm by avoiding averaging and removing boundedness assumptions, and they sharpen the existing convergence rates of the last iterate for online gradient descent without any boundedness assumptions. Our methodology mainly depends on a novel error decomposition in terms of an excess Bregman distance, refined analysis of self-bounding properties of the objective function, and the resulting one-step progress bounds.

Low energy theorems and the unitarity bounds in the extra U(1) superstring inspired E{sub 6} models

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

Sharma, N.K.; Saxena, Pranav; Nagawat, Ashok K.

2005-11-01

The conventional method using low energy theorems derived by Chanowitz et al. [Phys. Rev. Lett. 57, 2344 (1986);] does not seem to lead to an explicit unitarity limit in the scattering processes of longitudinally polarized gauge bosons for the high energy case in the extra U(1) superstring inspired models, commonly known as {eta} model, emanating from E{sub 6} group of superstring theory. We have made use of an alternative procedure given by Durand and Lopez [Phys. Lett. B 217, 463 (1989);], which is applicable to supersymmetric grand unified theories. Explicit unitarity bounds on the superpotential couplings (identified as Yukawa couplings)more » are obtained from both using unitarity constraints as well as using renormalization group equations (RGE) analysis at one-loop level utilizing critical couplings concepts implying divergence of scalar coupling at M{sub G}. These are found to be consistent with finiteness over the entire range M{sub Z}{<=}{radical}(s){<=}M{sub G} i.e. from grand unification scale to weak scale. For completeness, the similar approach has been made use of in other models i.e., {chi}, {psi}, and {nu} models emanating from E{sub 6} and it has been noticed that at weak scale, the unitarity bounds on Yukawa couplings do not differ among E{sub 6} extra U(1) models significantly except for the case of {chi} model in 16 representations. For the case of the E{sub 6}-{eta} model ({beta}{sub E} congruent with 9.64), the analysis using the unitarity constraints leads to the following bounds on various parameters: {lambda}{sub t(max.)}(M{sub Z})=1.294, {lambda}{sub b(max.)}(M{sub Z})=1.278, {lambda}{sub H(max.)}(M{sub Z})=0.955, {lambda}{sub D(max.)}(M{sub Z})=1.312. The analytical analysis of RGE at the one-loop level provides the following critical bounds on superpotential couplings: {lambda}{sub t,c}(M{sub Z}) congruent with 1.295, {lambda}{sub b,c}(M{sub Z}) congruent with 1.279, {lambda}{sub H,c}(M{sub Z}) congruent with 0.968, {lambda}{sub D,c}(M{sub Z}) congruent with 1.315. Thus superpotential coupling values obtained by both the approaches are in good agreement. Theoretically we have obtained bounds on physical mass parameters using the unitarity constrained superpotential couplings. The bounds are as follows: (i) Absolute upper bound on top quark mass m{sub t}{<=}225 GeV (ii) the upper bound on the lightest neutral Higgs boson mass at the tree level is m{sub H{sub 2}{sup 0}}{sup tree}{<=}169 GeV, and after the inclusion of the one-loop radiative correction it is m{sub H{sub 2}{sup 0}}{<=}229 GeV when {lambda}{sub t}{ne}{lambda}{sub b} at the grand unified theory scale. On the other hand, these are m{sub H{sub 2}{sup 0}}{sup tree}{<=}159 GeV, m{sub H{sub 2}{sup 0}}{<=}222 GeV, respectively, when {lambda}{sub t}={lambda}{sub b} at the grand unified theory scale. A plausible range on D-quark mass as a function of mass scale M{sub Z{sub 2}} is m{sub D}{approx_equal}O(3 TeV) for M{sub Z{sub 2}}{approx_equal}O(1 TeV) for the favored values of tan{beta}{<=}1. The bounds on aforesaid physical parameters in the case of {chi}, {psi}, and {nu} models in the 27 representation are almost identical with those of {eta} model and are consistent with the present day experimental precision measurements.« less

Temporal analysis of nonresonant two-photon coherent control involving bound and dissociative molecular states

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

Su Jing; Chen Shaohao; Jaron-Becker, Agnieszka

We theoretically study the control of two-photon excitation to bound and dissociative states in a molecule induced by trains of laser pulses, which are equivalent to certain sets of spectral phase modulated pulses. To this end, we solve the time-dependent Schroedinger equation for the interaction of molecular model systems with an external intense laser field. Our numerical results for the temporal evolution of the population in the excited states show that, in the case of an excited dissociative state, control schemes, previously validated for the atomic case, fail due to the coupling of electronic and nuclear motion. In contrast, formore » excitation to bound states the two-photon excitation probability is controlled via the time delay and the carrier-envelope phase difference between two consecutive pulses in the train.« less

Bounds on isocurvature perturbations from cosmic microwave background and large scale structure data.

PubMed

Crotty, Patrick; García-Bellido, Juan; Lesgourgues, Julien; Riazuelo, Alain

2003-10-24

We obtain very stringent bounds on the possible cold dark matter, baryon, and neutrino isocurvature contributions to the primordial fluctuations in the Universe, using recent cosmic microwave background and large scale structure data. Neglecting the possible effects of spatial curvature, tensor perturbations, and reionization, we perform a Bayesian likelihood analysis with nine free parameters, and find that the amplitude of the isocurvature component cannot be larger than about 31% for the cold dark matter mode, 91% for the baryon mode, 76% for the neutrino density mode, and 60% for the neutrino velocity mode, at 2sigma, for uncorrelated models. For correlated adiabatic and isocurvature components, the fraction could be slightly larger. However, the cross-correlation coefficient is strongly constrained, and maximally correlated/anticorrelated models are disfavored. This puts strong bounds on the curvaton model.

Petawatt laser absorption bounded

PubMed Central

Levy, Matthew C.; Wilks, Scott C.; Tabak, Max; Libby, Stephen B.; Baring, Matthew G.

2014-01-01

The interaction of petawatt (1015 W) lasers with solid matter forms the basis for advanced scientific applications such as table-top particle accelerators, ultrafast imaging systems and laser fusion. Key metrics for these applications relate to absorption, yet conditions in this regime are so nonlinear that it is often impossible to know the fraction of absorbed light f, and even the range of f is unknown. Here using a relativistic Rankine-Hugoniot-like analysis, we show for the first time that f exhibits a theoretical maximum and minimum. These bounds constrain nonlinear absorption mechanisms across the petawatt regime, forbidding high absorption values at low laser power and low absorption values at high laser power. For applications needing to circumvent the absorption bounds, these results will accelerate a shift from solid targets, towards structured and multilayer targets, and lead the development of new materials. PMID:24938656

Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity

PubMed Central

Basu, Koli; Garnham, Christopher P.; Nishimiya, Yoshiyuki; Tsuda, Sakae; Braslavsky, Ido; Davies, Peter

2014-01-01

Antifreeze proteins (AFPs) are expressed in a variety of cold-hardy organisms to prevent or slow internal ice growth. AFPs bind to specific planes of ice through their ice-binding surfaces. Fluorescence-based ice plane affinity (FIPA) analysis is a modified technique used to determine the ice planes to which the AFPs bind. FIPA is based on the original ice-etching method for determining AFP-bound ice-planes. It produces clearer images in a shortened experimental time. In FIPA analysis, AFPs are fluorescently labeled with a chimeric tag or a covalent dye then slowly incorporated into a macroscopic single ice crystal, which has been preformed into a hemisphere and oriented to determine the a- and c-axes. The AFP-bound ice hemisphere is imaged under UV light to visualize AFP-bound planes using filters to block out nonspecific light. Fluorescent labeling of the AFPs allows real-time monitoring of AFP adsorption into ice. The labels have been found not to influence the planes to which AFPs bind. FIPA analysis also introduces the option to bind more than one differently tagged AFP on the same single ice crystal to help differentiate their binding planes. These applications of FIPA are helping to advance our understanding of how AFPs bind to ice to halt its growth and why many AFP-producing organisms express multiple AFP isoforms. PMID:24457629

Hardening Effect Analysis by Modular Upper Bound and Finite Element Methods in Indentation of Aluminum, Steel, Titanium and Superalloys

PubMed Central

Bermudo, Carolina; Sevilla, Lorenzo; Martín, Francisco; Trujillo, Francisco Javier

2017-01-01

The application of incremental processes in the manufacturing industry is having a great development in recent years. The first stage of an Incremental Forming Process can be defined as an indentation. Because of this, the indentation process is starting to be widely studied, not only as a hardening test but also as a forming process. Thus, in this work, an analysis of the indentation process under the new Modular Upper Bound perspective has been performed. The modular implementation has several advantages, including the possibility of the introduction of different parameters to extend the study, such as the friction effect, the temperature or the hardening effect studied in this paper. The main objective of the present work is to analyze the three hardening models developed depending on the material characteristics. In order to support the validation of the hardening models, finite element analyses of diverse materials under an indentation are carried out. Results obtained from the Modular Upper Bound are in concordance with the results obtained from the numerical analyses. In addition, the numerical and analytical methods are in concordance with the results previously obtained in the experimental indentation of annealed aluminum A92030. Due to the introduction of the hardening factor, the new modular distribution is a suitable option for the analysis of indentation process. PMID:28772914

Determining the ice-binding planes of antifreeze proteins by fluorescence-based ice plane affinity.

PubMed

Basu, Koli; Garnham, Christopher P; Nishimiya, Yoshiyuki; Tsuda, Sakae; Braslavsky, Ido; Davies, Peter

2014-01-15

Antifreeze proteins (AFPs) are expressed in a variety of cold-hardy organisms to prevent or slow internal ice growth. AFPs bind to specific planes of ice through their ice-binding surfaces. Fluorescence-based ice plane affinity (FIPA) analysis is a modified technique used to determine the ice planes to which the AFPs bind. FIPA is based on the original ice-etching method for determining AFP-bound ice-planes. It produces clearer images in a shortened experimental time. In FIPA analysis, AFPs are fluorescently labeled with a chimeric tag or a covalent dye then slowly incorporated into a macroscopic single ice crystal, which has been preformed into a hemisphere and oriented to determine the a- and c-axes. The AFP-bound ice hemisphere is imaged under UV light to visualize AFP-bound planes using filters to block out nonspecific light. Fluorescent labeling of the AFPs allows real-time monitoring of AFP adsorption into ice. The labels have been found not to influence the planes to which AFPs bind. FIPA analysis also introduces the option to bind more than one differently tagged AFP on the same single ice crystal to help differentiate their binding planes. These applications of FIPA are helping to advance our understanding of how AFPs bind to ice to halt its growth and why many AFP-producing organisms express multiple AFP isoforms.

Bounding the Spacecraft Atmosphere Design Space for Future Exploration Missions

NASA Technical Reports Server (NTRS)

Lange, Kevin E.; Perka, Alan T.; Duffield, Bruce E.; Jeng, Frank F.

2005-01-01

The selection of spacecraft and space suit atmospheres for future human space exploration missions will play an important, if not critical, role in the ultimate safety, productivity, and cost of such missions. Internal atmosphere pressure and composition (particularly oxygen concentration) influence many aspects of spacecraft and space suit design, operation, and technology development. Optimal atmosphere solutions must be determined by iterative process involving research, design, development, testing, and systems analysis. A necessary first step in this process is the establishment of working bounds on the atmosphere design space.

Functional Analysis of Alpha-6 Integrin Cytoplasinic Domains.

DTIC Science & Technology

1997-12-01

ßl monoclonal antibody 9EG7 (Lenter et al., 1993), GoH3, mAb 12.2, mAb 24.9 or mAb 22.2. For immunoprecipitation, 9EG7 was covalently coupled to... antibody coupled to horseradish peroxidase (Amersham, Arlington Hts., IL) followed by ECL detection. Biotinylated, immunoprecipitated proteins were...rat immunoglobulin antibody was added to cross-link the bound GoH3, hence clustering the GoH3-bound oc6ßl. In the case of Ln-1, which required oc6ßl

Integrated flight/propulsion control - Subsystem specifications for performance

NASA Technical Reports Server (NTRS)

Neighbors, W. K.; Rock, Stephen M.

1993-01-01

A procedure is presented for calculating multiple subsystem specifications given a number of performance requirements on the integrated system. This procedure applies to problems where the control design must be performed in a partitioned manner. It is based on a structured singular value analysis, and generates specifications as magnitude bounds on subsystem uncertainties. The performance requirements should be provided in the form of bounds on transfer functions of the integrated system. This form allows the expression of model following, command tracking, and disturbance rejection requirements. The procedure is demonstrated on a STOVL aircraft design.

Rhodamine B in dissolved and nano-bound forms: Indicators for light-based advanced oxidation processes.

PubMed

Shabat-Hadas, Efrat; Mamane, Hadas; Gitis, Vitaly

2017-10-01

Rhodamine B (RhB) is a water-soluble fluorescent dye that is often used to determine flux and flow direction in biotechnological and environmental applications. In the current research, RhB in soluble (termed free) and virus-bound (termed nano-bound) forms was used as an efficiency indicator for three environmental processes. The degradation of free and nano-bound RhB by (i) direct UV photolysis and (ii) UV/H 2 O 2 advanced oxidation process (AOP) was studied in a collimated beam apparatus equipped with medium-pressure mercury vapor lamp. The degradation by (iii) solar light-induced photocatalysis was studied in a solar simulator with titanium dioxide and bismuth photocatalysts. Results showed negligible RhB degradation by direct UV and solar light, and its nearly linear degradation by UV/H 2 O 2 and photocatalysis/photosensitization in the presence of a solid catalyst. Considerable adsorption of free RhB on bismuth-based catalyst vs. no adsorption of nano-bound RhB on this catalyst or of any form of the dye on titanium dioxide produced two important conclusions. First, the better degradation of free RhB by the bismuth catalyst suggests that close proximity of a catalyst hole and the decomposing molecule significantly influences degradation. Second, the soluble form of the dye might not be the best option for its use as an indicator. Nano-bound RhB showed high potential as an AOP indicator, featuring possible separation from water after the analysis. Copyright © 2017 Elsevier Ltd. All rights reserved.

DNA interactions with a Methylene Blue redox indicator depend on the DNA length and are sequence specific.

PubMed

Farjami, Elaheh; Clima, Lilia; Gothelf, Kurt V; Ferapontova, Elena E

2010-06-01

A DNA molecular beacon approach was used for the analysis of interactions between DNA and Methylene Blue (MB) as a redox indicator of a hybridization event. DNA hairpin structures of different length and guanine (G) content were immobilized onto gold electrodes in their folded states through the alkanethiol linker at the 5'-end. Binding of MB to the folded hairpin DNA was electrochemically studied and compared with binding to the duplex structure formed by hybridization of the hairpin DNA to a complementary DNA strand. Variation of the electrochemical signal from the DNA-MB complex was shown to depend primarily on the DNA length and sequence used: the G-C base pairs were the preferential sites of MB binding in the duplex. For short 20 nts long DNA sequences, the increased electrochemical response from MB bound to the duplex structure was consistent with the increased amount of bound and electrochemically readable MB molecules (i.e. MB molecules that are available for the electron transfer (ET) reaction with the electrode). With longer DNA sequences, the balance between the amounts of the electrochemically readable MB molecules bound to the hairpin DNA and to the hybrid was opposite: a part of the MB molecules bound to the long-sequence DNA duplex seem to be electrochemically mute due to long ET distance. The increasing electrochemical response from MB bound to the short-length DNA hybrid contrasts with the decreasing signal from MB bound to the long-length DNA hybrid and allows an "off"-"on" genosensor development.

49 CFR Appendix B to Part 236 - Risk Assessment Criteria

Code of Federal Regulations, 2012 CFR

2012-10-01

... availability calculations for subsystems and components, Fault Tree Analysis (FTA) of the subsystems, and... upper bound, as estimated with a sensitivity analysis, and the risk value selected must be demonstrated... interconnected subsystems/components? The risk assessment of each safety-critical system (product) must account...

49 CFR Appendix B to Part 236 - Risk Assessment Criteria

Code of Federal Regulations, 2014 CFR

2014-10-01

... availability calculations for subsystems and components, Fault Tree Analysis (FTA) of the subsystems, and... upper bound, as estimated with a sensitivity analysis, and the risk value selected must be demonstrated... interconnected subsystems/components? The risk assessment of each safety-critical system (product) must account...

Preliminary analysis of coronal electron content measurements from spacecraft Helios A around first solar occultation

NASA Technical Reports Server (NTRS)

Edenhofer, P.; Esposito, P. B.; Martin, W. L.; Zygielbaum, A. I.; Hansen, R. T.; Hansen, S. F.; Lueneburg, E.

1977-01-01

Steady-state and dynamical features of the electron density distribution in the solar corona emerge from a preliminary analysis of Helios A electron content measurements. There are strong indications that correlations can be established with earth-bound K-coronagraph measurements.

2νββ decay of 76Ge into excited states with GERDA phase I

NASA Astrophysics Data System (ADS)

GERDA Collaboration; Agostini, M.; Allardt, M.; Bakalyarov, A. M.; Balata, M.; Barabanov, I.; Barros, N.; Baudis, L.; Bauer, C.; Becerici-Schmidt, N.; Bellotti, E.; Belogurov, S.; Belyaev, S. T.; Benato, G.; Bettini, A.; Bezrukov, L.; Bode, T.; Borowicz, D.; Brudanin, V.; Brugnera, R.; Budjáš, D.; Caldwell, A.; Cattadori, C.; Chernogorov, A.; D'Andrea, V.; Demidova, E. V.; di Vacri, A.; Domula, A.; Doroshkevich, E.; Egorov, V.; Falkenstein, R.; Fedorova, O.; Freund, K.; Frodyma, N.; Gangapshev, A.; Garfagnini, A.; Gooch, C.; Grabmayr, P.; Gurentsov, V.; Gusev, K.; Hegai, A.; Heisel, M.; Hemmer, S.; Heusser, G.; Hofmann, W.; Hult, M.; Inzhechik, L. V.; Janicskó Csáthy, J.; Jochum, J.; Junker, M.; Kazalov, V.; Kihm, T.; Kirpichnikov, I. V.; Kirsch, A.; Klimenko, A.; Knöpfle, K. T.; Kochetov, O.; Kornoukhov, V. N.; Kuzminov, V. V.; Laubenstein, M.; Lazzaro, A.; Lebedev, V. I.; Lehnert, B.; Liao, H. Y.; Lindner, M.; Lippi, I.; Lubashevskiy, A.; Lubsandorzhiev, B.; Lutter, G.; Macolino, C.; Majorovits, B.; Maneschg, W.; Medinaceli, E.; Mi, Y.; Misiaszek, M.; Moseev, P.; Nemchenok, I.; Palioselitis, D.; Panas, K.; Pandola, L.; Pelczar, K.; Pullia, A.; Riboldi, S.; Rumyantseva, N.; Sada, C.; Salathe, M.; Schmitt, C.; Schneider, B.; Schreiner, J.; Schulz, O.; Schwingenheuer, B.; Schönert, S.; Schütz, A.-K.; Selivanenko, O.; Shirchenko, M.; Simgen, H.; Smolnikov, A.; Stanco, L.; Stepaniuk, M.; Ur, C. A.; Vanhoefer, L.; Vasenko, A. A.; Veresnikova, A.; von Sturm, K.; Wagner, V.; Walter, M.; Wegmann, A.; Wester, T.; Wilsenach, H.; Wojcik, M.; Yanovich, E.; Zavarise, P.; Zhitnikov, I.; Zhukov, S. V.; Zinatulina, D.; Zuber, K.; Zuzel, G.

2015-11-01

Two neutrino double beta decay of {}76{Ge} to excited states of {}76{Se} has been studied using data from Phase I of the GERDA experiment. An array composed of up to 14 germanium detectors including detectors that have been isotopically enriched in {}76{Ge} was deployed in liquid argon. The analysis of various possible transitions to excited final states is based on coincidence events between pairs of detectors where a de-excitation γ ray is detected in one detector and the two electrons in the other. No signal has been observed and an event counting profile likelihood analysis has been used to determine Frequentist 90% C.L. bounds for three transitions: {0}{{g}.{{s}}.}+-{2}1+: {T}1/22ν \\gt 1.6× {10}23 yr, {0}{{g}.{{s}}.}+-{0}1+: {T}1/22ν \\gt 3.7× {10}23 yr and {0}{{g}.{{s}}.}+-{2}2+: {T}1/22ν \\gt 2.3× {10}23 yr. These bounds are more than two orders of magnitude larger than those reported previously. Bayesian 90% credibility bounds were extracted and used to exclude several models for the {0}{{g}.{{s}}.}+-{0}1+ transition.

Analysis of real-time numerical integration methods applied to dynamic clamp experiments.

PubMed

Butera, Robert J; McCarthy, Maeve L

2004-12-01

Real-time systems are frequently used as an experimental tool, whereby simulated models interact in real time with neurophysiological experiments. The most demanding of these techniques is known as the dynamic clamp, where simulated ion channel conductances are artificially injected into a neuron via intracellular electrodes for measurement and stimulation. Methodologies for implementing the numerical integration of the gating variables in real time typically employ first-order numerical methods, either Euler or exponential Euler (EE). EE is often used for rapidly integrating ion channel gating variables. We find via simulation studies that for small time steps, both methods are comparable, but at larger time steps, EE performs worse than Euler. We derive error bounds for both methods, and find that the error can be characterized in terms of two ratios: time step over time constant, and voltage measurement error over the slope factor of the steady-state activation curve of the voltage-dependent gating variable. These ratios reliably bound the simulation error and yield results consistent with the simulation analysis. Our bounds quantitatively illustrate how measurement error restricts the accuracy that can be obtained by using smaller step sizes. Finally, we demonstrate that Euler can be computed with identical computational efficiency as EE.

Subunit mass fingerprinting of mitochondrial complex I.

PubMed

Morgner, Nina; Zickermann, Volker; Kerscher, Stefan; Wittig, Ilka; Abdrakhmanova, Albina; Barth, Hans-Dieter; Brutschy, Bernhard; Brandt, Ulrich

2008-10-01

We have employed laser induced liquid bead ion desorption (LILBID) mass spectrometry to determine the total mass and to study the subunit composition of respiratory chain complex I from Yarrowia lipolytica. Using 5-10 pmol of purified complex I, we could assign all 40 known subunits of this membrane bound multiprotein complex to peaks in LILBID subunit fingerprint spectra by comparing predicted protein masses to observed ion masses. Notably, even the highly hydrophobic subunits encoded by the mitochondrial genome were easily detectable. Moreover, the LILBID approach allowed us to spot and correct several errors in the genome-derived protein sequences of complex I subunits. Typically, the masses of the individual subunits as determined by LILBID mass spectrometry were within 100 Da of the predicted values. For the first time, we demonstrate that LILBID spectrometry can be successfully applied to a complex I band eluted from a blue-native polyacrylamide gel, making small amounts of large multiprotein complexes accessible for subunit mass fingerprint analysis even if they are membrane bound. Thus, the LILBID subunit mass fingerprint method will be of great value for efficient proteomic analysis of complex I and its assembly intermediates, as well as of other water soluble and membrane bound multiprotein complexes.

Chaos in nuclei: Theory and experiment

NASA Astrophysics Data System (ADS)

Muñoz, L.; Molina, R. A.; Gómez, J. M. G.

2018-05-01

During the last three decades the quest for chaos in nuclei has been quite intensive, both with theoretical calculations using nuclear models and with detailed analyses of experimental data. In this paper we outline the concept and characteristics of quantum chaos in two different approaches, the random matrix theory fluctuations and the time series fluctuations. Then we discuss the theoretical and experimental evidence of chaos in nuclei. Theoretical calculations, especially shell-model calculations, have shown a strongly chaotic behavior of bound states in regions of high level density. The analysis of experimental data has shown a strongly chaotic behavior of nuclear resonances just above the one-nucleon emission threshold. For bound states, combining experimental data of a large number of nuclei, a tendency towards chaotic motion is observed in spherical nuclei, while deformed nuclei exhibit a more regular behavior associated to the collective motion. On the other hand, it had never been possible to observe chaos in the experimental bound energy levels of any single nucleus. However, the complete experimental spectrum of the first 151 states up to excitation energies of 6.20 MeV in the 208Pb nucleus have been recently identified and the analysis of its spectral fluctuations clearly shows the existence of chaotic motion.

Tinted windows: The presence of the UV absorbing compounds called mycosporine-like amino acids embedded in the frustules of marine diatoms

NASA Astrophysics Data System (ADS)

Ingalls, Anitra E.; Whitehead, Kenia; Bridoux, Maxime C.

2010-01-01

Diatom frustule-bound organic compounds presumably play an important role in biomineralization and constitute an important pool of organic matter preserved in diatom frustule-rich sediments. In this study, detailed analysis of diatom frustule-bound organic matter in opal-rich Southern Ocean plankton and sediments revealed for the first time the presence of low molecular weight, UV light absorbing compounds called mycosporine-like amino acids (MAAs). Chemically cleaned diatom frustule-derived biosilica was dissolved in HF, releasing bound or entrapped organic compounds that were subsequently characterized using liquid chromatography with UV-Vis and electrospray ionization mass spectrometry (LC/PDA/ESI-MS). Palythine ([M+H] + = 245), porphyra-334 ([M+H] + = 347) and shinorine ([M+H] + = 333) were the most abundant MAAs detected in HF digests of plankton and sediment. Traces of asterina ([M+H] + = 289), palythinol ([M+H] + = 303) and palythinic acid ([M+H] + = 329) were also detected. MAAs in cleaned HF digested frustules were up to two orders of magnitude more abundant than methanol extractable MAAs. MAAs are substituted with acid hydrolysable amino acid residues. Our results suggest that MAAs, and not proteins, could be responsible for the high proportion of the amino acids glycine and threonine found in hydrolysates of HF digested diatom-rich environmental samples. Total MAAs accounted for 3-27% of the carbon and 2-18% of total nitrogen in the frustules undergoing various chemical cleaning treatments. This is the first report of MAAs in close association with a mineral phase and we hypothesize that the mineral matrix could stabilize these compounds, thereby enhancing photoprotection against the harmful effects of UV light. The presence of frustule-bound MAAs in sediment cores further suggests the possibility that they could be used in compound-specific isotope analysis of diatom-bound organic matter and as indicators of past solar irradiance.

SFG analysis of surface bound proteins: a route towards structure determination.

PubMed

Weidner, Tobias; Castner, David G

2013-08-14

The surface of a material is rapidly covered with proteins once that material is placed in a biological environment. The structure and function of these bound proteins play a key role in the interactions and communications of the material with the biological environment. Thus, it is crucial to gain a molecular level understanding of surface bound protein structure. While X-ray diffraction and solution phase NMR methods are well established for determining the structure of proteins in the crystalline or solution phase, there is not a corresponding single technique that can provide the same level of structural detail about proteins at surfaces or interfaces. However, recent advances in sum frequency generation (SFG) vibrational spectroscopy have significantly increased our ability to obtain structural information about surface bound proteins and peptides. A multi-technique approach of combining SFG with (1) protein engineering methods to selectively introduce mutations and isotopic labels, (2) other experimental methods such as time-of-flight secondary ion mass spectrometry (ToF-SIMS) and near edge X-ray absorption fine structure (NEXAFS) to provide complementary information, and (3) molecular dynamic (MD) simulations to extend the molecular level experimental results is a particularly promising route for structural characterization of surface bound proteins and peptides. By using model peptides and small proteins with well-defined structures, methods have been developed to determine the orientation of both backbone and side chains to the surface.

SFG analysis of surface bound proteins: A route towards structure determination

PubMed Central

Weidner, Tobias; Castner, David G.

2013-01-01

The surface of a material is rapidly covered with proteins once that material is placed in a biological environment. The structure and function of these bound proteins play a key role in the interactions and communications of the material with the biological environment. Thus, it is crucial to gain a molecular level understanding of surface bound protein structure. While X-ray diffraction and solution phase NMR methods are well established for determining the structure of proteins in the crystalline or solution phase, there is not a corresponding single technique that can provide the same level of structural detail about proteins at surfaces or interfaces. However, recent advances in sum frequency generation (SFG) vibrational spectroscopy have significantly increased our ability to obtain structural information about surface bound proteins and peptides. A multi-technique approach of combining SFG with (1) protein engineering methods to selectively introduce mutations and isotopic labels, (2) other experimental methods such as time-of-flight secondary ion mass spectrometry (ToF-SIMS) and near edge x-ray absorption fine structure (NEXAFS) to provide complementary information, and (3) molecular dynamic (MD) simulations to extend the molecular level experimental results is a particularly promising route for structural characterization of surface bound proteins and peptides. By using model peptides and small proteins with well-defined structures, methods have been developed to determine the orientation of both backbone and side chains to the surface. PMID:23727992

Positive gravitational subsystem energies from CFT cone relative entropies

NASA Astrophysics Data System (ADS)

Neuenfeld, Dominik; Saraswat, Krishan; Van Raamsdonk, Mark

2018-06-01

The positivity of relative entropy for spatial subsystems in a holographic CFT implies the positivity of certain quantities in the dual gravitational theory. In this note, we consider CFT subsystems whose boundaries lie on the lightcone of a point p. We show that the positive gravitational quantity which corresponds to the relative entropy for such a subsystem A is a novel notion of energy associated with a gravitational subsystem bounded by the minimal area extremal surface à associated with A and by the AdS boundary region  corresponding to the part of the lightcone from p bounded by ∂ A. This generalizes the results of arXiv:1605.01075 for ball-shaped regions by making use of the recent results in arXiv:1703.10656 for the vacuum modular Hamiltonian of regions bounded on lightcones. As part of our analysis, we give an analytic expression for the extremal surface in pure AdS associated with any such region A. We note that its form immediately implies the Markov property of the CFT vacuum (saturation of strong subadditivity) for regions bounded on the same lightcone. This gives a holographic proof of the result proven for general CFTs in arXiv:1703.10656. A similar holographic proof shows the Markov property for regions bounded on a lightsheet for non-conformal holographic theories defined by relevant perturbations of a CFT.

Development and validation of an HPLC-method for determination of free and bound phenolic acids in cereals after solid-phase extraction.

PubMed

Irakli, Maria N; Samanidou, Victoria F; Biliaderis, Costas G; Papadoyannis, Ioannis N

2012-10-01

Whole cereal grains are a good source of phenolic acids associated with reduced risk of chronic diseases. This paper reports the development and validation of a high-performance liquid chromatography-diode array detection (HPLC-DAD) method for the determination of phenolic acids in cereals in either free or bound form. Extraction of free phenolic acids and clean-up was performed by an optimised solid-phase extraction (SPE) protocol on Oasis HLB cartridges using aqueous methanol as eluant. The mean recovery of analytes ranged between 84% and 106%. Bound phenolic acids were extracted using alkaline hydrolysis with mean recoveries of 80-95%, except for gallic acid, caffeic acid and protocatechuic acid. Both free and bound phenolic extracts were separated on a Nucleosil 100 C18 column, 5 μm (250 mm × 4.6 mm) thermostated at 30 °C, using a linear gradient elution system consisting of 1% (v/v) acetic acid in methanol. Method validation was performed by means of linearity, accuracy, intra-day and inter-day precision and sensitivity. Detection limits ranged between 0.13 and 0.18 μg/g. The method was applied to the analysis of free and bound phenolic acids contents in durum wheat, bread wheat, barley, oat, rice, rye, corn and triticale. Copyright © 2012 Elsevier Ltd. All rights reserved.

Birnessite-induced binding of phenolic monomers to soil humic substances and nature of the bound residues.

PubMed

Li, Chengliang; Zhang, Bin; Ertunc, Tanya; Schaeffer, Andreas; Ji, Rong

2012-08-21

The nature of the abiotic birnessite (δ-MnO(2))-catalyzed transformation products of phenolic compounds in the presence of soil organic matter is crucial for understanding the fate and stability of ubiquitous phenolic carbon in the environment. (14)C-radioactive and (13)C-stable-isotope tracers were used to study the mineralization and transformation by δ-MnO(2) of two typical humus and lignin phenolic monomers--catechol and p-coumaric acid--in the presence and absence of agricultural and forest soil humic acids (HAs) at pH 5-8. Mineralization decreased with increasing solution pH, and catechol was markedly more mineralized than p-coumaric acid. In the presence of HAs, the mineralization was strongly reduced, and considerable amounts of phenolic residues were bound to the HAs, independent of the solution pH. The HA-bound residues were homogeneously distributed within the humic molecules, and most still contained the unchanged aromatic ring as revealed by (13)C NMR analysis, indicating that the residues were probably bound via ester or ether bonds. The study provides important information on δ-MnO(2) stimulation of phenolic carbon binding to humic substances and the molecular distribution and chemical structure of the bound residues, which is essential for understanding the environmental fates of both naturally occurring and anthropogenic phenolic compounds.

Rigorous Statistical Bounds in Uncertainty Quantification for One-Layer Turbulent Geophysical Flows

NASA Astrophysics Data System (ADS)

Qi, Di; Majda, Andrew J.

2018-04-01

Statistical bounds controlling the total fluctuations in mean and variance about a basic steady-state solution are developed for the truncated barotropic flow over topography. Statistical ensemble prediction is an important topic in weather and climate research. Here, the evolution of an ensemble of trajectories is considered using statistical instability analysis and is compared and contrasted with the classical deterministic instability for the growth of perturbations in one pointwise trajectory. The maximum growth of the total statistics in fluctuations is derived relying on the statistical conservation principle of the pseudo-energy. The saturation bound of the statistical mean fluctuation and variance in the unstable regimes with non-positive-definite pseudo-energy is achieved by linking with a class of stable reference states and minimizing the stable statistical energy. Two cases with dependence on initial statistical uncertainty and on external forcing and dissipation are compared and unified under a consistent statistical stability framework. The flow structures and statistical stability bounds are illustrated and verified by numerical simulations among a wide range of dynamical regimes, where subtle transient statistical instability exists in general with positive short-time exponential growth in the covariance even when the pseudo-energy is positive-definite. Among the various scenarios in this paper, there exist strong forward and backward energy exchanges between different scales which are estimated by the rigorous statistical bounds.

A Software Tool for the Rapid Analysis of the Sintering Behavior of Particulate Bodies

DTIC Science & Technology

2017-11-01

bounded by a region that the user selects via cross hairs . Future plot analysis features, such as more complicated curve fitting and modeling functions...German RM. Grain growth behavior of tungsten heavy alloys based on the master sintering curve concept. Metallurgical and Materials Transactions A

Middle School Learners' Use of Latin Roots to Infer the Meaning of Unfamiliar Words

ERIC Educational Resources Information Center

Crosson, Amy C.; McKeown, Margaret G.

2016-01-01

This study investigated how middle school students leverage information about bound Latin roots (e.g., "voc" in "advocate" and "vociferous") to infer meanings of unfamiliar words, and how instruction may facilitate morphological analysis using roots. A dynamic assessment of morphological analysis was administered to…

Evidence for soft bounds in Ubuntu package sizes and mammalian body masses

PubMed Central

Gherardi, Marco; Mandrà, Salvatore; Bassetti, Bruno; Cosentino Lagomarsino, Marco

2013-01-01

The development of a complex system depends on the self-coordinated action of a large number of agents, often determining unexpected global behavior. The case of software evolution has great practical importance: knowledge of what is to be considered atypical can guide developers in recognizing and reacting to abnormal behavior. Although the initial framework of a theory of software exists, the current theoretical achievements do not fully capture existing quantitative data or predict future trends. Here we show that two elementary laws describe the evolution of package sizes in a Linux-based operating system: first, relative changes in size follow a random walk with non-Gaussian jumps; second, each size change is bounded by a limit that is dependent on the starting size, an intriguing behavior that we call “soft bound.” Our approach is based on data analysis and on a simple theoretical model, which is able to reproduce empirical details without relying on any adjustable parameter and generates definite predictions. The same analysis allows us to formulate and support the hypothesis that a similar mechanism is shaping the distribution of mammalian body sizes, via size-dependent constraints during cladogenesis. Whereas generally accepted approaches struggle to reproduce the large-mass shoulder displayed by the distribution of extant mammalian species, this is a natural consequence of the softly bounded nature of the process. Additionally, the hypothesis that this model is valid has the relevant implication that, contrary to a common assumption, mammalian masses are still evolving, albeit very slowly. PMID:24324175

Structural and Functional Analysis of BipA, a Regulator of Virulence in Enteropathogenic Escherichia coli

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

Fan, Haitian; Hahm, Joseph; Diggs, Stephen

The translational GTPase BipA regulates the expression of virulence and pathogenicity factors in several eubacteria. BipA-dependent expression of virulence factors occurs under starvation conditions, such as encountered during infection of a host. Under these conditions, BipA associates with the small ribosomal subunit. BipA also has a second function to promote the efficiency of late steps in biogenesis of large ribosomal subunits at low temperatures, presumably while bound to the ribosome. During starvation, the cellular concentration of stress alarmone guanosine-3', 5'-bis pyrophosphate (ppGpp) is increased. This increase allows ppGpp to bind to BipA and switch its binding specificity from ribosomes tomore » small ribosomal subunits. A conformational change of BipA upon ppGpp binding could explain the ppGpp regulation of the binding specificity of BipA. Here, we present the structures of the full-length BipA from Escherichia coli in apo, GDP-, and ppGpp-bound forms. The crystal structure and small-angle x-ray scattering data of the protein with bound nucleotides, together with a thermodynamic analysis of the binding of GDP and of ppGpp to BipA, indicate that the ppGpp-bound form of BipA adopts the structure of the GDP form. This suggests furthermore, that the switch in binding preference only occurs when both ppGpp and the small ribosomal subunit are present. Finally, this molecular mechanism would allow BipA to interact with both the ribosome and the small ribosomal subunit during stress response.« less

Structural and Functional Analysis of BipA, a Regulator of Virulence in Enteropathogenic Escherichia coli

DOE PAGES

Fan, Haitian; Hahm, Joseph; Diggs, Stephen; ...

2015-07-10

The translational GTPase BipA regulates the expression of virulence and pathogenicity factors in several eubacteria. BipA-dependent expression of virulence factors occurs under starvation conditions, such as encountered during infection of a host. Under these conditions, BipA associates with the small ribosomal subunit. BipA also has a second function to promote the efficiency of late steps in biogenesis of large ribosomal subunits at low temperatures, presumably while bound to the ribosome. During starvation, the cellular concentration of stress alarmone guanosine-3', 5'-bis pyrophosphate (ppGpp) is increased. This increase allows ppGpp to bind to BipA and switch its binding specificity from ribosomes tomore » small ribosomal subunits. A conformational change of BipA upon ppGpp binding could explain the ppGpp regulation of the binding specificity of BipA. Here, we present the structures of the full-length BipA from Escherichia coli in apo, GDP-, and ppGpp-bound forms. The crystal structure and small-angle x-ray scattering data of the protein with bound nucleotides, together with a thermodynamic analysis of the binding of GDP and of ppGpp to BipA, indicate that the ppGpp-bound form of BipA adopts the structure of the GDP form. This suggests furthermore, that the switch in binding preference only occurs when both ppGpp and the small ribosomal subunit are present. Finally, this molecular mechanism would allow BipA to interact with both the ribosome and the small ribosomal subunit during stress response.« less

Control design for robust stability in linear regulators: Application to aerospace flight control

NASA Technical Reports Server (NTRS)

Yedavalli, R. K.

1986-01-01

Time domain stability robustness analysis and design for linear multivariable uncertain systems with bounded uncertainties is the central theme of the research. After reviewing the recently developed upper bounds on the linear elemental (structured), time varying perturbation of an asymptotically stable linear time invariant regulator, it is shown that it is possible to further improve these bounds by employing state transformations. Then introducing a quantitative measure called the stability robustness index, a state feedback conrol design algorithm is presented for a general linear regulator problem and then specialized to the case of modal systems as well as matched systems. The extension of the algorithm to stochastic systems with Kalman filter as the state estimator is presented. Finally an algorithm for robust dynamic compensator design is presented using Parameter Optimization (PO) procedure. Applications in a aircraft control and flexible structure control are presented along with a comparison with other existing methods.

A tool for simulating parallel branch-and-bound methods

NASA Astrophysics Data System (ADS)

Golubeva, Yana; Orlov, Yury; Posypkin, Mikhail

2016-01-01

The Branch-and-Bound method is known as one of the most powerful but very resource consuming global optimization methods. Parallel and distributed computing can efficiently cope with this issue. The major difficulty in parallel B&B method is the need for dynamic load redistribution. Therefore design and study of load balancing algorithms is a separate and very important research topic. This paper presents a tool for simulating parallel Branchand-Bound method. The simulator allows one to run load balancing algorithms with various numbers of processors, sizes of the search tree, the characteristics of the supercomputer's interconnect thereby fostering deep study of load distribution strategies. The process of resolution of the optimization problem by B&B method is replaced by a stochastic branching process. Data exchanges are modeled using the concept of logical time. The user friendly graphical interface to the simulator provides efficient visualization and convenient performance analysis.

Upper bound of pier scour in laboratory and field data

USGS Publications Warehouse

Benedict, Stephen; Caldwell, Andral W.

2016-01-01

The U.S. Geological Survey (USGS), in cooperation with the South Carolina Department of Transportation, conducted several field investigations of pier scour in South Carolina and used the data to develop envelope curves defining the upper bound of pier scour. To expand on this previous work, an additional cooperative investigation was initiated to combine the South Carolina data with pier scour data from other sources and to evaluate upper-bound relations with this larger data set. To facilitate this analysis, 569 laboratory and 1,858 field measurements of pier scour were compiled to form the 2014 USGS Pier Scour Database. This extensive database was used to develop an envelope curve for the potential maximum pier scour depth encompassing the laboratory and field data. The envelope curve provides a simple but useful tool for assessing the potential maximum pier scour depth for effective pier widths of about 30 ft or less.

A Computational Framework to Control Verification and Robustness Analysis

NASA Technical Reports Server (NTRS)

Crespo, Luis G.; Kenny, Sean P.; Giesy, Daniel P.

2010-01-01

This paper presents a methodology for evaluating the robustness of a controller based on its ability to satisfy the design requirements. The framework proposed is generic since it allows for high-fidelity models, arbitrary control structures and arbitrary functional dependencies between the requirements and the uncertain parameters. The cornerstone of this contribution is the ability to bound the region of the uncertain parameter space where the degradation in closed-loop performance remains acceptable. The size of this bounding set, whose geometry can be prescribed according to deterministic or probabilistic uncertainty models, is a measure of robustness. The robustness metrics proposed herein are the parametric safety margin, the reliability index, the failure probability and upper bounds to this probability. The performance observed at the control verification setting, where the assumptions and approximations used for control design may no longer hold, will fully determine the proposed control assessment.

Josephson Radiation from Gapless Andreev Bound States in HgTe-Based Topological Junctions

NASA Astrophysics Data System (ADS)

Deacon, R. S.; Wiedenmann, J.; Bocquillon, E.; Domínguez, F.; Klapwijk, T. M.; Leubner, P.; Brüne, C.; Hankiewicz, E. M.; Tarucha, S.; Ishibashi, K.; Buhmann, H.; Molenkamp, L. W.

2017-04-01

Frequency analysis of the rf emission of oscillating Josephson supercurrent is a powerful passive way of probing properties of topological Josephson junctions. In particular, measurements of the Josephson emission enable the detection of topological gapless Andreev bound states that give rise to emission at half the Josephson frequency fJ rather than conventional emission at fJ. Here, we report direct measurement of rf emission spectra on Josephson junctions made of HgTe-based gate-tunable topological weak links. The emission spectra exhibit a clear signal at half the Josephson frequency fJ/2 . The linewidths of emission lines indicate a coherence time of 0.3-4 ns for the fJ/2 line, much shorter than for the fJ line (3-4 ns). These observations strongly point towards the presence of topological gapless Andreev bound states and pave the way for a future HgTe-based platform for topological quantum computation.

Fluorescent characteristics of estrogenic compounds in landfill leachate.

PubMed

Zhanga, Hua; Changb, Cheng-Hsuan; Lü, Fan; Su, Ay; Lee, Duu-Jong; He, Pin-Jing; Shao, Li-Ming

2009-08-01

Estrogens in landfill leachate could probably contaminate receiving water sources if not properly polished before discharge. This work measured, using an estrogen receptor-alpha competitor screening assay, the estrogenic potentials of leachate samples collected at a local sanitary landfill in Shanghai, China and their compounds fractionated by molecular weights. The chemical structures of the constituent compounds were characterized using fluorescence excitation and emission matrix (EEM). The organic matters of molecular weight <600 Da and of 3000-14,000 Da contributed most of the estrogenic potentials of the raw leachates. The former were considered as the typical endocrine disrupting compounds in dissolved state; while the latter the fulvic acids with high aromaticity that were readily adsorbed with estrogens (bound state). Statistical analysis on EEM peaks revealed that the chemical structures of noted estrogens in dissolved state and in bound state were not identical. Aerobic treatment effectively removed dissolved estrogens, but rarely removed those bound estrogens.

Analytical study of bound states in graphene nanoribbons and carbon nanotubes: The variable phase method and the relativistic Levinson theorem

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

Miserev, D. S., E-mail: d.miserev@student.unsw.edu.au, E-mail: erazorheader@gmail.com

2016-06-15

The problem of localized states in 1D systems with a relativistic spectrum, namely, graphene stripes and carbon nanotubes, is studied analytically. The bound state as a superposition of two chiral states is completely described by their relative phase, which is the foundation of the variable phase method (VPM) developed herein. Based on our VPM, we formulate and prove the relativistic Levinson theorem. The problem of bound states can be reduced to the analysis of closed trajectories of some vector field. Remarkably, the Levinson theorem appears as the Poincaré index theorem for these closed trajectories. The VPM equation is also reducedmore » to the nonrelativistic and semiclassical limits. The limit of a small momentum p{sub y} of transverse quantization is applicable to an arbitrary integrable potential. In this case, a single confined mode is predicted.« less

Adaptive dynamic programming for finite-horizon optimal control of discrete-time nonlinear systems with ε-error bound.

PubMed

Wang, Fei-Yue; Jin, Ning; Liu, Derong; Wei, Qinglai

2011-01-01

In this paper, we study the finite-horizon optimal control problem for discrete-time nonlinear systems using the adaptive dynamic programming (ADP) approach. The idea is to use an iterative ADP algorithm to obtain the optimal control law which makes the performance index function close to the greatest lower bound of all performance indices within an ε-error bound. The optimal number of control steps can also be obtained by the proposed ADP algorithms. A convergence analysis of the proposed ADP algorithms in terms of performance index function and control policy is made. In order to facilitate the implementation of the iterative ADP algorithms, neural networks are used for approximating the performance index function, computing the optimal control policy, and modeling the nonlinear system. Finally, two simulation examples are employed to illustrate the applicability of the proposed method.

The impact of missing trauma data on predicting massive transfusion

PubMed Central

Trickey, Amber W.; Fox, Erin E.; del Junco, Deborah J.; Ning, Jing; Holcomb, John B.; Brasel, Karen J.; Cohen, Mitchell J.; Schreiber, Martin A.; Bulger, Eileen M.; Phelan, Herb A.; Alarcon, Louis H.; Myers, John G.; Muskat, Peter; Cotton, Bryan A.; Wade, Charles E.; Rahbar, Mohammad H.

2013-01-01

INTRODUCTION Missing data are inherent in clinical research and may be especially problematic for trauma studies. This study describes a sensitivity analysis to evaluate the impact of missing data on clinical risk prediction algorithms. Three blood transfusion prediction models were evaluated utilizing an observational trauma dataset with valid missing data. METHODS The PRospective Observational Multi-center Major Trauma Transfusion (PROMMTT) study included patients requiring ≥ 1 unit of red blood cells (RBC) at 10 participating U.S. Level I trauma centers from July 2009 – October 2010. Physiologic, laboratory, and treatment data were collected prospectively up to 24h after hospital admission. Subjects who received ≥ 10 RBC units within 24h of admission were classified as massive transfusion (MT) patients. Correct classification percentages for three MT prediction models were evaluated using complete case analysis and multiple imputation. A sensitivity analysis for missing data was conducted to determine the upper and lower bounds for correct classification percentages. RESULTS PROMMTT enrolled 1,245 subjects. MT was received by 297 patients (24%). Missing percentage ranged from 2.2% (heart rate) to 45% (respiratory rate). Proportions of complete cases utilized in the MT prediction models ranged from 41% to 88%. All models demonstrated similar correct classification percentages using complete case analysis and multiple imputation. In the sensitivity analysis, correct classification upper-lower bound ranges per model were 4%, 10%, and 12%. Predictive accuracy for all models using PROMMTT data was lower than reported in the original datasets. CONCLUSIONS Evaluating the accuracy clinical prediction models with missing data can be misleading, especially with many predictor variables and moderate levels of missingness per variable. The proposed sensitivity analysis describes the influence of missing data on risk prediction algorithms. Reporting upper/lower bounds for percent correct classification may be more informative than multiple imputation, which provided similar results to complete case analysis in this study. PMID:23778514

77 FR 24539 - Virginia Electric and Power Company; Surry Power Station Units 1 and 2; Independent Spent Fuel...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-24

... bounding thermal analysis using ANSYS finite element software to evaluate the misloading events. The ANSYS analysis consists of a half-symmetric, three-dimensional model of a 32PTH DSC with a number of conservative... the maximum fuel cladding temperature presented in the UFSAR analysis dated October 2, 2009, with the...

Sensitivity Analysis of Multicriteria Choice to Changes in Intervals of Value Tradeoffs

NASA Astrophysics Data System (ADS)

Podinovski, V. V.

2018-03-01

An approach to sensitivity (stability) analysis of nondominated alternatives to changes in the bounds of intervals of value tradeoffs, where the alternatives are selected based on interval data of criteria tradeoffs is proposed. Methods of computations for the analysis of sensitivity of individual nondominated alternatives and the set of such alternatives as a whole are developed.

Stable Isotope Analysis of Water Indicates that Mixing Occurs between Mobile and Tightly-Bound Soil Water

NASA Astrophysics Data System (ADS)

Vargas, A. I.; Schaffer, B.; Yuhong, L.; Sternberg, L. O.

2016-12-01

Stable oxygen (δ18O) and hydrogen (δ2H) isotope composition of precipitation, soil and plants have been studied over the years to understand the mechanism of soil water movement and the depth of plant water uptake in the soil water profile. Recent studies have suggested that in soil during the wet season, tightly bound water does not mix with mobile water but is retained in the soil until the dry season when it is taken up by plants via the force of transpiration. To test this, we sampled δ18O and δ2H in plant stems as a proxy for wet season mobile water and dry season bound water in two types of soils to determine if mixing occurs between mobile and tightly bound soil water. Plastic pots were filled with clay or very gravelly loam soil and a Persea americana tree was planted in each pot. Soil in each pot was first saturated with tap water to fully label the bound water with the isotopic identity of tap water and then fully saturated with either tap water (T) or isotopically-enriched pool water (P) and covered with white polyethylene to prevent evaporation. After saturating the soil, δ18O and δ2H of water draining from each pot were similar to those of water added to each pot for both the T and P treatments. For each treatment, δ18O and δ2H in plant stems were sampled 2-3 days after soil was initially saturated (simulated wet season; soil tension < 0.10 kPa) representing the mobile water and again 7-9 days after soil was saturated representing the bound water (simulated dry season; soil tension > 80.0 kPa). During the "dry season", there was a significant difference between T and P treatments for δ18O and δ2H in plant stems, indicating that bound water accessed by plants in the P treatment did not retain the tap water label and mixing occurred between mobile and bound water in the soil. Comparing P-T in the wet season with P-T in the dry season indicated that as much as 95% of water freely exchanged between the mobile and bound components of the soil. This is contrary to recent studies suggesting that no mixing occurs.

[Transformation and mobility of arsenic in the rhizosphere and non-rhizosphere soils at different growth stages of rice].

PubMed

Yang, Wen-Tao; Wang, Ying-Jie; Zhou, Hang; Yi, Kai-Xin; Zeng, Min; Peng, Pei-Qin; Liao, Bo-Han

2015-02-01

Speciation and bioavailability of arsenic in the rhizosphere and non-rhizosphere soils at different growth stages (tillering stage, jointing stage, booting stage, filling stage and maturing stage) of rice (Oryza sativa L.) were studied using toxicity characteristic leaching procedure (TCLP) and arsenic speciation analysis. Pot experiments were conducted and the soil samples were taken from a certain paddy soil in Hunan Province contaminated by mining industry. The results showed that: (1) With the extension of rice growth period, pH values and TCLP extractable arsenic levels in the rhizosphere and non-rhizosphere soils increased gradually. Soil pH and TCLP extractable arsenic levels in non-rhizosphere soils were higher than those in the rhizosphere soils at the same growth stage. (2) At the different growth stages of rice, contents of exchangeable arsenic (AE-As) in rhizosphere and non-rhizosphere soils were lower than those before the rice planting, and increased gradually with the extension of the rice growing period. Contents of Al-bound arsenic (Al-As), Fe-bound arsenic (Fe-As) and Ca-bound arsenic (Ca-As) increased gradually after rice planting, but not significantly. Residual arsenic (O-As) and total arsenic (T-As) decreased gradually after rice planting, by 37.30% and 14.69% in the rhizosphere soils and by 31.38% and 8.67% in the non-rhizosphere soils, respectively. (3) At the different growth stages of rice, contents of various forms of arsenic in the soils were in the following order: residual arsenic (O-As) > Fe-bound arsenic ( Fe-As) > Al-bound arsenic (Al-As) > Ca-bound arsenic (Ca-As) > exchangeable arsenic (AE-As). In the pH range of 5.0- 5.8, significant positive linear correlations were found between most forms of arsenic or TCLP extractable arsenic levels and pH values, while the Ca-bound arsenic was poorly correlated with pH values in the rhizosphere soils.

NMR analyses of the conformations of L-isoleucine and L-valine bound to Escherichia coli isoleucyl-tRNA synthetase

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

Kohda, D.; Kawai, G.; Yokoyama, S.

1987-10-06

The 400-MHz /sup 1/H NMR spectra of L-isoleucine and L-valine were measured in the presence of Escherichia coli isoleucyl-tRNA synthetase (IleRS). Because of chemical exchange of L-isoleucine or L-valine between the free state and the IleRS-bound state, a transferred nuclear Overhauser effect (TRNOE) was observed among proton resonances of L-isoleucine or L-valine. However, in the presence of isoleucyl adenylate tightly bound to the amino acid activation site of IleRS, no TRNOE for L-isoleucine or L-valine was observed. This indicates that the observed TRNOE is due to the interaction of L-isoleucine or L-valine with the amino acid activation site of IleRS.more » The conformations of these amino acids in the amino acid activation site of IleRS were determined by the analyses of time dependences of TRNOEs and TRNOE action spectra. The IleRS-bound L-isoleucine takes the gauche/sup +/ form about the C/sub ..cap alpha../-C/sub ..beta../ bond and the trans form about the C/sub ..beta../-C/sub ..gamma../sub 1// bond. The IleRS-bound L-valine takes the guache/sup -/ form about the C/sub ..cap alpha../-C/sub ..beta../ bond. Thus, the conformation of the IleRS-bound L-valine is the same as that of IleRS-bound L-isoleucine except for the delta-methyl group. The side chain of L-isoleucine or L-valine lies in an aliphatic hydrophobic pocket of the active site of IleRS. Such hydrophobic interaction with IleRS is more significant for L-isoleucine than for L-valine. The TRNOE analysis is useful for studying the amino acid discrimination mechanism of aminoacyl-tRNA synthetases.« less

A novel magnet focusing plate for matrix-assisted laser desorption/ionization analysis of magnetic bead-bound analytes.

PubMed

Gode, David; Volmer, Dietrich A

2013-05-15

Magnetic beads are often used for serum profiling of peptide and protein biomarkers. In these assays, the bead-bound analytes are eluted from the beads prior to mass spectrometric analysis. This study describes a novel matrix-assisted laser desorption/ionization (MALDI) technique for direct application and focusing of magnetic beads to MALDI plates by means of dedicated micro-magnets as sample spots. Custom-made MALDI plates with magnetic focusing spots were made using small nickel-coated neodymium micro-magnets integrated into a stainless steel plate in a 16 × 24 (384) pattern. For demonstrating the proof-of-concept, commercial C-18 magnetic beads were used for the extraction of a test compound (reserpine) from aqueous solution. Experiments were conducted to study focusing abilities, the required laser energies, the influence of a matrix compound, dispensing techniques, solvent choice and the amount of magnetic beads. Dispensing the magnetic beads onto the micro-magnet sample spots resulted in immediate and strong binding to the magnetic surface. Light microscope images illustrated the homogeneous distribution of beads across the surfaces of the magnets, when the entire sample volume containing the beads was pipetted onto the surface. Subsequent MALDI analysis of the bead-bound analyte demonstrated excellent and reproducible ionization yields. The surface-assisted laser desorption/ionization (SALDI) properties of the strongly light-absorbing γ-Fe2O3-based beads resulted in similar ionization efficiencies to those obtained from experiments with an additional MALDI matrix compound. This feasibility study successfully demonstrated the magnetic focusing abilities for magnetic bead-bound analytes on a novel MALDI plate containing small micro-magnets as sample spots. One of the key advantages of this integrated approach is that no elution steps from magnetic beads were required during analyses compared with conventional bead experiments. Copyright © 2013 John Wiley & Sons, Ltd.

Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.

PubMed

Lu, Ying; Wu, Jiayi; Dong, Yuanchen; Chen, Shuobing; Sun, Shuangwu; Ma, Yong-Bei; Ouyang, Qi; Finley, Daniel; Kirschner, Marc W; Mao, Youdong

2017-07-20

The proteasome holoenzyme is activated by its regulatory particle (RP) consisting of two subcomplexes, the lid and the base. A key event in base assembly is the formation of a heterohexameric ring of AAA-ATPases, which is guided by at least four RP assembly chaperones in mammals: PAAF1, p28/gankyrin, p27/PSMD9, and S5b. Using cryogenic electron microscopy, we analyzed the non-AAA structure of the p28-bound human RP at 4.5 Å resolution and determined seven distinct conformations of the Rpn1-p28-AAA subcomplex within the p28-bound RP at subnanometer resolutions. Remarkably, the p28-bound AAA ring does not form a channel in the free RP and spontaneously samples multiple "open" and "closed" topologies at the Rpt2-Rpt6 and Rpt3-Rpt4 interfaces. Our analysis suggests that p28 assists the proteolytic core particle to select a specific conformation of the ATPase ring for RP engagement and is released in a shoehorn-like fashion in the last step of the chaperone-mediated proteasome assembly. Copyright © 2017 Elsevier Inc. All rights reserved.

The accuracy of less: Natural bounds explain why quantity decreases are estimated more accurately than quantity increases.

PubMed

Chandon, Pierre; Ordabayeva, Nailya

2017-02-01

Five studies show that people, including experts such as professional chefs, estimate quantity decreases more accurately than quantity increases. We argue that this asymmetry occurs because physical quantities cannot be negative. Consequently, there is a natural lower bound (zero) when estimating decreasing quantities but no upper bound when estimating increasing quantities, which can theoretically grow to infinity. As a result, the "accuracy of less" disappears (a) when a numerical or a natural upper bound is present when estimating quantity increases, or (b) when people are asked to estimate the (unbounded) ratio of change from 1 size to another for both increasing and decreasing quantities. Ruling out explanations related to loss aversion, symbolic number mapping, and the visual arrangement of the stimuli, we show that the "accuracy of less" influences choice and demonstrate its robustness in a meta-analysis that includes previously published results. Finally, we discuss how the "accuracy of less" may explain asymmetric reactions to the supersizing and downsizing of food portions, some instances of the endowment effect, and asymmetries in the perception of increases and decreases in physical and psychological distance. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

An analysis of the vertical structure equation for arbitrary thermal profiles

NASA Technical Reports Server (NTRS)

Cohn, Stephen E.; Dee, Dick P.

1989-01-01

The vertical structure equation is a singular Sturm-Liouville problem whose eigenfunctions describe the vertical dependence of the normal modes of the primitive equations linearized about a given thermal profile. The eigenvalues give the equivalent depths of the modes. The spectrum of the vertical structure equation and the appropriateness of various upper boundary conditions, both for arbitrary thermal profiles were studied. The results depend critically upon whether or not the thermal profile is such that the basic state atmosphere is bounded. In the case of a bounded atmosphere it is shown that the spectrum is always totally discrete, regardless of details of the thermal profile. For the barotropic equivalent depth, which corresponds to the lowest eigen value, upper and lower bounds which depend only on the surface temperature and the atmosphere height were obtained. All eigenfunctions are bounded, but always have unbounded first derivatives. It was proved that the commonly invoked upper boundary condition that vertical velocity must vanish as pressure tends to zero, as well as a number of alternative conditions, is well posed. It was concluded that the vertical structure equation always has a totally discrete spectrum under the assumptions implicit in the primitive equations.

An analysis of the vertical structure equation for arbitrary thermal profiles

NASA Technical Reports Server (NTRS)

Cohn, Stephen E.; Dee, Dick P.

1987-01-01

The vertical structure equation is a singular Sturm-Liouville problem whose eigenfunctions describe the vertical dependence of the normal modes of the primitive equations linearized about a given thermal profile. The eigenvalues give the equivalent depths of the modes. The spectrum of the vertical structure equation and the appropriateness of various upper boundary conditions, both for arbitrary thermal profiles were studied. The results depend critically upon whether or not the thermal profile is such that the basic state atmosphere is bounded. In the case of a bounded atmosphere it is shown that the spectrum is always totally discrete, regardless of details of the thermal profile. For the barotropic equivalent depth, which corresponds to the lowest eigen value, upper and lower bounds which depend only on the surface temperature and the atmosphere height were obtained. All eigenfunctions are bounded, but always have unbounded first derivatives. It was proved that the commonly invoked upper boundary condition that vertical velocity must vanish as pressure tends to zero, as well as a number of alternative conditions, is well posed. It was concluded that the vertical structure equation always has a totally discrete spectrum under the assumptions implicit in the primitive equations.

Detection of Pneumonia Associated Pathogens Using a Prototype Multiplexed Pneumonia Test in Hospitalized Patients with Severe Pneumonia

PubMed Central

Schulte, Berit; Eickmeyer, Holm; Heininger, Alexandra; Juretzek, Stephanie; Karrasch, Matthias; Denis, Olivier; Roisin, Sandrine; Pletz, Mathias W.; Klein, Matthias; Barth, Sandra; Lüdke, Gerd H.; Thews, Anne; Torres, Antoni; Cillóniz, Catia; Straube, Eberhard; Autenrieth, Ingo B.; Keller, Peter M.

2014-01-01

Severe pneumonia remains an important cause of morbidity and mortality. Polymerase chain reaction (PCR) has been shown to be more sensitive than current standard microbiological methods – particularly in patients with prior antibiotic treatment – and therefore, may improve the accuracy of microbiological diagnosis for hospitalized patients with pneumonia. Conventional detection techniques and multiplex PCR for 14 typical bacterial pneumonia-associated pathogens were performed on respiratory samples collected from adult hospitalized patients enrolled in a prospective multi-center study. Patients were enrolled from March until September 2012. A total of 739 fresh, native samples were eligible for analysis, of which 75 were sputa, 421 aspirates, and 234 bronchial lavages. 276 pathogens were detected by microbiology for which a valid PCR result was generated (positive or negative detection result by Curetis prototype system). Among these, 120 were identified by the prototype assay, 50 pathogens were not detected. Overall performance of the prototype for pathogen identification was 70.6% sensitivity (95% confidence interval (CI) lower bound: 63.3%, upper bound: 76.9%) and 95.2% specificity (95% CI lower bound: 94.6%, upper bound: 95.7%). Based on the study results, device cut-off settings were adjusted for future series production. The overall performance with the settings of the CE series production devices was 78.7% sensitivity (95% CI lower bound: 72.1%) and 96.6% specificity (95% CI lower bound: 96.1%). Time to result was 5.2 hours (median) for the prototype test and 43.5 h for standard-of-care. The Pneumonia Application provides a rapid and moderately sensitive assay for the detection of pneumonia-causing pathogens with minimal hands-on time. Trial Registration Deutsches Register Klinischer Studien (DRKS) DRKS00005684 PMID:25397673

The Ebola virus VP35 protein binds viral immunostimulatory and host RNAs identified through deep sequencing.

PubMed

Dilley, Kari A; Voorhies, Alexander A; Luthra, Priya; Puri, Vinita; Stockwell, Timothy B; Lorenzi, Hernan; Basler, Christopher F; Shabman, Reed S

2017-01-01

Ebola virus and Marburg virus are members of the Filovirdae family and causative agents of hemorrhagic fever with high fatality rates in humans. Filovirus virulence is partially attributed to the VP35 protein, a well-characterized inhibitor of the RIG-I-like receptor pathway that triggers the antiviral interferon (IFN) response. Prior work demonstrates the ability of VP35 to block potent RIG-I activators, such as Sendai virus (SeV), and this IFN-antagonist activity is directly correlated with its ability to bind RNA. Several structural studies demonstrate that VP35 binds short synthetic dsRNAs; yet, there are no data that identify viral immunostimulatory RNAs (isRNA) or host RNAs bound to VP35 in cells. Utilizing a SeV infection model, we demonstrate that both viral isRNA and host RNAs are bound to Ebola and Marburg VP35s in cells. By deep sequencing the purified VP35-bound RNA, we identified the SeV copy-back defective interfering (DI) RNA, previously identified as a robust RIG-I activator, as the isRNA bound by multiple filovirus VP35 proteins, including the VP35 protein from the West African outbreak strain (Makona EBOV). Moreover, RNAs isolated from a VP35 RNA-binding mutant were not immunostimulatory and did not include the SeV DI RNA. Strikingly, an analysis of host RNAs bound by wild-type, but not mutant, VP35 revealed that select host RNAs are preferentially bound by VP35 in cell culture. Taken together, these data support a model in which VP35 sequesters isRNA in virus-infected cells to avert RIG-I like receptor (RLR) activation.

iGen: An automated generator of simplified models with provable error bounds.

NASA Astrophysics Data System (ADS)

Tang, D.; Dobbie, S.

2009-04-01

Climate models employ various simplifying assumptions and parameterisations in order to increase execution speed. However, in order to draw conclusions about the Earths climate from the results of a climate simulation it is necessary to have information about the error that these assumptions and parameterisations introduce. A novel computer program, called iGen, is being developed which automatically generates fast, simplified models by analysing the source code of a slower, high resolution model. The resulting simplified models have provable bounds on error compared to the high resolution model and execute at speeds that are typically orders of magnitude faster. iGen's input is a definition of the prognostic variables of the simplified model, a set of bounds on acceptable error and the source code of a model that captures the behaviour of interest. In the case of an atmospheric model, for example, this would be a global cloud resolving model with very high resolution. Although such a model would execute far too slowly to be used directly in a climate model, iGen never executes it. Instead, it converts the code of the resolving model into a mathematical expression which is then symbolically manipulated and approximated to form a simplified expression. This expression is then converted back into a computer program and output as a simplified model. iGen also derives and reports formal bounds on the error of the simplified model compared to the resolving model. These error bounds are always maintained below the user-specified acceptable error. Results will be presented illustrating the success of iGen's analysis of a number of example models. These extremely encouraging results have lead on to work which is currently underway to analyse a cloud resolving model and so produce an efficient parameterisation of moist convection with formally bounded error.

The Ebola virus VP35 protein binds viral immunostimulatory and host RNAs identified through deep sequencing

PubMed Central

Voorhies, Alexander A.; Luthra, Priya; Puri, Vinita; Stockwell, Timothy B.; Lorenzi, Hernan; Basler, Christopher F.; Shabman, Reed S.

2017-01-01

Ebola virus and Marburg virus are members of the Filovirdae family and causative agents of hemorrhagic fever with high fatality rates in humans. Filovirus virulence is partially attributed to the VP35 protein, a well-characterized inhibitor of the RIG-I-like receptor pathway that triggers the antiviral interferon (IFN) response. Prior work demonstrates the ability of VP35 to block potent RIG-I activators, such as Sendai virus (SeV), and this IFN-antagonist activity is directly correlated with its ability to bind RNA. Several structural studies demonstrate that VP35 binds short synthetic dsRNAs; yet, there are no data that identify viral immunostimulatory RNAs (isRNA) or host RNAs bound to VP35 in cells. Utilizing a SeV infection model, we demonstrate that both viral isRNA and host RNAs are bound to Ebola and Marburg VP35s in cells. By deep sequencing the purified VP35-bound RNA, we identified the SeV copy-back defective interfering (DI) RNA, previously identified as a robust RIG-I activator, as the isRNA bound by multiple filovirus VP35 proteins, including the VP35 protein from the West African outbreak strain (Makona EBOV). Moreover, RNAs isolated from a VP35 RNA-binding mutant were not immunostimulatory and did not include the SeV DI RNA. Strikingly, an analysis of host RNAs bound by wild-type, but not mutant, VP35 revealed that select host RNAs are preferentially bound by VP35 in cell culture. Taken together, these data support a model in which VP35 sequesters isRNA in virus-infected cells to avert RIG-I like receptor (RLR) activation. PMID:28636653

Parallel algorithms for the molecular conformation problem

NASA Astrophysics Data System (ADS)

Rajan, Kumar

Given a set of objects, and some of the pairwise distances between them, the problem of identifying the positions of the objects in the Euclidean space is referred to as the molecular conformation problem. This problem is known to be computationally difficult. One of the most important applications of this problem is the determination of the structure of molecules. In the case of molecular structure determination, usually only the lower and upper bounds on some of the interatomic distances are available. The process of obtaining a tighter set of bounds between all pairs of atoms, using the available interatomic distance bounds is referred to as bound-smoothing . One method for bound-smoothing is to use the limits imposed by the triangle inequality. The distance bounds so obtained can often be tightened further by applying the tetrangle inequality---the limits imposed on the six pairwise distances among a set of four atoms (instead of three for the triangle inequalities). The tetrangle inequality is expressed by the Cayley-Menger determinants. The sequential tetrangle-inequality bound-smoothing algorithm considers a quadruple of atoms at a time, and tightens the bounds on each of its six distances. The sequential algorithm is computationally expensive, and its application is limited to molecules with up to a few hundred atoms. Here, we conduct an experimental study of tetrangle-inequality bound-smoothing and reduce the sequential time by identifying the most computationally expensive portions of the process. We also present a simple criterion to determine which of the quadruples of atoms are likely to be tightened the most by tetrangle-inequality bound-smoothing. This test could be used to enhance the applicability of this process to large molecules. We map the problem of parallelizing tetrangle-inequality bound-smoothing to that of generating disjoint packing designs of a certain kind. We map this, in turn, to a regular-graph coloring problem, and present a simple, parallel algorithm for tetrangle-inequality bound-smoothing. We implement the parallel algorithm on the Intel Paragon X/PS, and apply it to real-life molecules. Our results show that with this parallel algorithm, tetrangle inequality can be applied to large molecules in a reasonable amount of time. We extend the regular graph to represent more general packing designs, and present a coloring algorithm for this graph. This can be used to generate constant-weight binary codes in parallel. Once a tighter set of distance bounds is obtained, the molecular conformation problem is usually formulated as a non-linear optimization problem, and a global optimization algorithm is then used to solve the problem. Here we present a parallel, deterministic algorithm for the optimization problem based on Interval Analysis. We implement our algorithm, using dynamic load balancing, on a network of Sun Ultra-Sparc workstations. Our experience with this algorithm shows that its application is limited to small instances of the molecular conformation problem, where the number of measured, pairwise distances is close to the maximum value. However, since the interval method eliminates a substantial portion of the initial search space very quickly, it can be used to prune the search space before any of the more efficient, nondeterministic methods can be applied.

Fast volumetric imaging of bound and pore water in cortical bone using three-dimensional ultrashort-TE (UTE) and inversion recovery UTE sequences.

PubMed

Chen, Jun; Carl, Michael; Ma, Yajun; Shao, Hongda; Lu, Xing; Chen, Bimin; Chang, Eric Y; Wu, Zhihong; Du, Jiang

2016-10-01

We report the three-dimensional ultrashort-TE (3D UTE) and adiabatic inversion recovery UTE (IR-UTE) sequences employing a radial trajectory with conical view ordering for bi-component T2 * analysis of bound water (T2 *(BW) ) and pore water (T2 *(PW) ) in cortical bone. An interleaved dual-echo 3D UTE acquisition scheme was developed for fast bi-component analysis of bound and pore water in cortical bone. A 3D IR-UTE acquisition scheme employing multiple spokes per IR was developed for bound water imaging. Two-dimensional UTE (2D UTE) and IR-UTE sequences were employed for comparison. The sequences were applied to bovine bone samples (n = 6) and volunteers (n = 6) using a 3-T scanner. Bi-component fitting of 3D UTE images of bovine samples showed a mean T2 *(BW) of 0.26 ± 0.04 ms and T2 *(PW) of 4.16 ± 0.35 ms, with fractions of 21.5 ± 3.6% and 78.5 ± 3.6%, respectively. The 3D IR-UTE signal showed a single-component decay with a mean T2 *(BW) of 0.29 ± 0.05 ms, suggesting selective imaging of bound water. Similar results were achieved with the 2D UTE and IR-UTE sequences. Bi-component fitting of 3D UTE images of the tibial midshafts of healthy volunteers showed a mean T2 *(BW) of 0.32 ± 0.08 ms and T2 *(PW) of 5.78 ± 1.24 ms, with fractions of 34.2 ± 7.4% and 65.8 ± 7.4%, respectively. Single-component fitting of 3D IR-UTE images showed a mean T2 *(BW) of 0.35 ± 0.09 ms. The 3D UTE and 3D IR-UTE techniques allow fast volumetric mapping of bound and pore water in cortical bone. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Quantum-chemical study on the bioactive conformation of epothilones.

PubMed

Jiménez, Verónica A

2010-12-27

Herein, I report a DFT study on the bioactive conformation of epothilone A based on the analysis of 92 stable conformations of free and bound epothilone to a reduced model of tubulin receptor. The equilibrium structures and relative energies were studied using B3LYP and X3LYP functionals and the 6-31G(d) standard basis set, which was considered appropriate for the size of the systems under study. Calculated relative energies of free and bound epothilones led me to propose a new model for the bioactive conformation of epothilone A, which accounts for several structure-activity data.

Modeling error analysis of stationary linear discrete-time filters

NASA Technical Reports Server (NTRS)

Patel, R.; Toda, M.

1977-01-01

The performance of Kalman-type, linear, discrete-time filters in the presence of modeling errors is considered. The discussion is limited to stationary performance, and bounds are obtained for the performance index, the mean-squared error of estimates for suboptimal and optimal (Kalman) filters. The computation of these bounds requires information on only the model matrices and the range of errors for these matrices. Consequently, a design can easily compare the performance of a suboptimal filter with that of the optimal filter, when only the range of errors in the elements of the model matrices is available.

Job Analysis Techniques for Restructuring Health Manpower Education and Training in the Navy Medical Department.

ERIC Educational Resources Information Center

Parks, R. B.

This volume is an explanatory volume referencing the Job Analysis Tecnniques for Restructuring Health Manpower Education and Training in the Navy Medical Department project accomplishments and precedes the 16 separately bound attachments. Contained in this publication are: The Introduction; Philosophies and Objectives; First Year Activities; The…

A comparison of second order derivative based models for time domain reflectometry wave form analysis

USDA-ARS?s Scientific Manuscript database

Adaptive waveform interpretation with Gaussian filtering (AWIGF) and second order bounded mean oscillation operator Z square 2(u,t,r) are TDR analysis methods based on second order differentiation. AWIGF was originally designed for relatively long probe (greater than 150 mm) TDR waveforms, while Z s...

Heuristic Implementation of Dynamic Programming for Matrix Permutation Problems in Combinatorial Data Analysis

ERIC Educational Resources Information Center

Brusco, Michael J.; Kohn, Hans-Friedrich; Stahl, Stephanie

2008-01-01

Dynamic programming methods for matrix permutation problems in combinatorial data analysis can produce globally-optimal solutions for matrices up to size 30x30, but are computationally infeasible for larger matrices because of enormous computer memory requirements. Branch-and-bound methods also guarantee globally-optimal solutions, but computation…

Middle School Learners' Use of Latin Roots to Infer the Meaning of Unfamiliar Words

ERIC Educational Resources Information Center

Crosson, Amy C.; McKeown, Margaret G.

2016-01-01

This study investigated how middle school students leverage information about bound Latin roots (e.g., voc in "advocate" and "vociferous") to infer meanings of unfamiliar words, and how instruction may facilitate morphological analysis using roots. A dynamic assessment of morphological analysis was administered to 29 sixth…

The presence of English and Spanish dyslexia in the Web

NASA Astrophysics Data System (ADS)

Rello, Luz; Baeza-Yates, Ricardo

2012-09-01

In this study we present a lower bound of the prevalence of dyslexia in the Web for English and Spanish. On the basis of analysis of corpora written by dyslexic people, we propose a classification of the different kinds of dyslexic errors. A representative data set of dyslexic words is used to calculate this lower bound in web pages containing English and Spanish dyslexic errors. We also present an analysis of dyslexic errors in major Internet domains, social media sites, and throughout English- and Spanish-speaking countries. To show the independence of our estimations from the presence of other kinds of errors, we compare them with the overall lexical quality of the Web and with the error rate of noncorrected corpora. The presence of dyslexic errors in the Web motivates work in web accessibility for dyslexic users.

Expression, purification, and functional analysis of the C-terminal domain of Herbaspirillum seropedicae NifA protein.

PubMed

Monteiro, Rose A; Souza, Emanuel M; Geoffrey Yates, M; Steffens, M Berenice R; Pedrosa, Fábio O; Chubatsu, Leda S

2003-02-01

The Herbaspirillum seropedicae NifA protein is responsible for nif gene expression. The C-terminal domain of the H. seropedicae NifA protein, fused to a His-Tag sequence (His-Tag-C-terminal), was over-expressed and purified by metal-affinity chromatography to yield a highly purified and active protein. Band-shift assays showed that the NifA His-Tag-C-terminal bound specifically to the H. seropedicae nifB promoter region in vitro. In vivo analysis showed that this protein inhibited the Central + C-terminal domains of NifA protein from activating the nifH promoter of K. pneumoniae in Escherichia coli, indicating that the protein must be bound to the NifA-binding site (UAS site) at the nifH promoter region to activate transcription. Copyright 2002 Elsevier Science (USA)

Constraint on the primordial gravitational waves from the joint analysis of BICEP2 and Planck HFI 353 GHz dust polarization data

NASA Astrophysics Data System (ADS)

Cheng, Cheng; Huang, Qing-Guo; Wang, Sai

2014-12-01

We make a joint analysis of BICEP2 and recently released Planck HFI 353 GHz dust polarization data, and find that there is no evidence for the primordial gravitational waves and the bound on the tensor-to-scalar ratio becomes r < 0.083 at 95% confidence level in the base ΛCDM + tensor model. Extending to the model with running of scalar spectral index, the bound is a little bit relaxed to r < 0.116 at 95% confidence level. Our results imply that the inflation model with a single monomial potential is marginally disfavored at around 95% confidence level. Especially, the m2phi2/2 inflation model is disfavored at more than 2σ level. However, the Starobinsky inflation model gives a nice fit.

Cramer-Rao bound analysis of wideband source localization and DOA estimation

NASA Astrophysics Data System (ADS)

Yip, Lean; Chen, Joe C.; Hudson, Ralph E.; Yao, Kung

2002-12-01

In this paper, we derive the Cramér-Rao Bound (CRB) for wideband source localization and DOA estimation. The resulting CRB formula can be decomposed into two terms: one that depends on the signal characteristic and one that depends on the array geometry. For a uniformly spaced circular array (UCA), a concise analytical form of the CRB can be given by using some algebraic approximation. We further define a DOA beamwidth based on the resulting CRB formula. The DOA beamwidth can be used to design the sampling angular spacing for the Maximum-likelihood (ML) algorithm. For a randomly distributed array, we use an elliptical model to determine the largest and smallest effective beamwidth. The effective beamwidth and the CRB analysis of source localization allow us to design an efficient algorithm for the ML estimator. Finally, our simulation results of the Approximated Maximum Likelihood (AML) algorithm are demonstrated to match well to the CRB analysis at high SNR.

Field analysis of the Cerenkov doubling of infrared coherent radiation utilizing an organic crystal core bounded by a glass capillary

NASA Astrophysics Data System (ADS)

Hayata, K.; Yanagawa, K.; Koshiba, M.

1990-12-01

A mode field analysis is presented of the second-harmonic electromagnetic wave that radiates from a nonlinear core bounded by a dielectric cladding. With this analysis the ultimate performance of the organic crystal-cored single-mode optical fiber waveguide as a guided-wave frequency doubler is evaluated through the solution of nonlinear parametric equations derived from Maxwell's equations under some assumptions. As a phase-matching scheme, a Cerenkov approach is considered because of advantages in actual device applications, in which the phase matching is achievable between the fundamental guided LP01 mode and the second-harmonic radiation (leaky) mode. Calculated results for organic cores made of benzil, 4-(N,N-dimethyl-amino)-3-acetamidonitrobenzen, 2-methyl-4-nitroaniline, and 4'-nitrobenzilidene-3-acetoamino-4-metxianiline provide useful data for designing an efficient fiber-optic wavelength converter utilizing nonlinear parametric processes. A detailed comparison is made between results for infinite and finite cladding thicknesses.

Performance bounds for modal analysis using sparse linear arrays

NASA Astrophysics Data System (ADS)

Li, Yuanxin; Pezeshki, Ali; Scharf, Louis L.; Chi, Yuejie

2017-05-01

We study the performance of modal analysis using sparse linear arrays (SLAs) such as nested and co-prime arrays, in both first-order and second-order measurement models. We treat SLAs as constructed from a subset of sensors in a dense uniform linear array (ULA), and characterize the performance loss of SLAs with respect to the ULA due to using much fewer sensors. In particular, we claim that, provided the same aperture, in order to achieve comparable performance in terms of Cramér-Rao bound (CRB) for modal analysis, SLAs require more snapshots, of which the number is about the number of snapshots used by ULA times the compression ratio in the number of sensors. This is shown analytically for the case with one undamped mode, as well as empirically via extensive numerical experiments for more complex scenarios. Moreover, the misspecified CRB proposed by Richmond and Horowitz is also studied, where SLAs suffer more performance loss than their ULA counterpart.

Failure Bounding And Sensitivity Analysis Applied To Monte Carlo Entry, Descent, And Landing Simulations

NASA Technical Reports Server (NTRS)

Gaebler, John A.; Tolson, Robert H.

2010-01-01

In the study of entry, descent, and landing, Monte Carlo sampling methods are often employed to study the uncertainty in the designed trajectory. The large number of uncertain inputs and outputs, coupled with complicated non-linear models, can make interpretation of the results difficult. Three methods that provide statistical insights are applied to an entry, descent, and landing simulation. The advantages and disadvantages of each method are discussed in terms of the insights gained versus the computational cost. The first method investigated was failure domain bounding which aims to reduce the computational cost of assessing the failure probability. Next a variance-based sensitivity analysis was studied for the ability to identify which input variable uncertainty has the greatest impact on the uncertainty of an output. Finally, probabilistic sensitivity analysis is used to calculate certain sensitivities at a reduced computational cost. These methods produce valuable information that identifies critical mission parameters and needs for new technology, but generally at a significant computational cost.

The upper bound of Pier Scour defined by selected laboratory and field data

USGS Publications Warehouse

Benedict, Stephen; Caldwell, Andral W.

2015-01-01

The U.S. Geological Survey, in cooperation with the South Carolina Department of Transportation, conducted several field investigations of pier scour in South Carolina (Benedict and Caldwell, 2006; Benedict and Caldwell, 2009) and used that data to develop envelope curves defining the upper bound of pier scour. To expand upon this previous work, an additional cooperative investigation was initiated to combine the South Carolina data with pier-scour data from other sources and evaluate the upper bound of pier scour with this larger data set. To facilitate this analysis, a literature review was made to identify potential sources of published pier-scour data, and selected data were compiled into a digital spreadsheet consisting of approximately 570 laboratory and 1,880 field measurements. These data encompass a wide range of laboratory and field conditions and represent field data from 24 states within the United States and six other countries. This extensive database was used to define the upper bound of pier-scour depth with respect to pier width encompassing the laboratory and field data. Pier width is a primary variable that influences pier-scour depth (Laursen and Toch, 1956; Melville and Coleman, 2000; Mueller and Wagner, 2005, Ettema et al. 2011, Arneson et al. 2012) and therefore, was used as the primary explanatory variable in developing the upper-bound envelope curve. The envelope curve provides a simple but useful tool for assessing the potential maximum pier-scour depth for pier widths of about 30 feet or less.

A fast algorithm for determining bounds and accurate approximate p-values of the rank product statistic for replicate experiments.

PubMed

Heskes, Tom; Eisinga, Rob; Breitling, Rainer

2014-11-21

The rank product method is a powerful statistical technique for identifying differentially expressed molecules in replicated experiments. A critical issue in molecule selection is accurate calculation of the p-value of the rank product statistic to adequately address multiple testing. Both exact calculation and permutation and gamma approximations have been proposed to determine molecule-level significance. These current approaches have serious drawbacks as they are either computationally burdensome or provide inaccurate estimates in the tail of the p-value distribution. We derive strict lower and upper bounds to the exact p-value along with an accurate approximation that can be used to assess the significance of the rank product statistic in a computationally fast manner. The bounds and the proposed approximation are shown to provide far better accuracy over existing approximate methods in determining tail probabilities, with the slightly conservative upper bound protecting against false positives. We illustrate the proposed method in the context of a recently published analysis on transcriptomic profiling performed in blood. We provide a method to determine upper bounds and accurate approximate p-values of the rank product statistic. The proposed algorithm provides an order of magnitude increase in throughput as compared with current approaches and offers the opportunity to explore new application domains with even larger multiple testing issue. The R code is published in one of the Additional files and is available at http://www.ru.nl/publish/pages/726696/rankprodbounds.zip .

Seasonal variations and source apportionment of atmospheric PM2.5-bound polycyclic aromatic hydrocarbons in a mixed multi-function area of Hangzhou, China.

PubMed

Lu, Hao; Wang, Shengsheng; Li, Yun; Gong, Hui; Han, Jingyi; Wu, Zuliang; Yao, Shuiliang; Zhang, Xuming; Tang, Xiujuan; Jiang, Boqiong

2017-07-01

To reveal the seasonal variations and sources of PM 2.5 -bound polycyclic aromatic hydrocarbons (PAHs) during haze and non-haze episodes, daily PM 2.5 samples were collected from March 2015 to February 2016 in a mixed multi-function area in Hangzhou, China. Ambient concentrations of 16 priority-controlled PAHs were determined. The sums of PM 2.5 -bound PAH concentrations during the haze episodes were 4.52 ± 3.32 and 13.6 ± 6.29 ng m -3 in warm and cold seasons, respectively, which were 1.99 and 1.49 times those during the non-haze episodes. Four PAH sources were identified using the positive matrix factorization model and conditional probability function, which were vehicular emissions (45%), heavy oil combustion (23%), coal and natural gas combustion (22%), and biomass combustion (10%). The four source concentrations of PAHs consistently showed higher levels in the cold season, compared with those in the warm season. Vehicular emissions were the most considerable sources that result in the increase of PM 2.5 -bound PAH levels during the haze episodes, and heavy oil combustion played an important role in the aggravation of haze pollution. The analysis of air mass back trajectories indicated that air mass transport had an influence on the PM 2.5 -bound PAH pollution, especially on the increased contributions from coal combustion and vehicular emissions in the cold season.

Occurrence of 3-MCPD fatty acid esters in human breast milk.

PubMed

Zelinková, Z; Novotný, O; Schůrek, J; Velísek, J; Hajslová, J; Dolezal, M

2008-06-01

A series of twelve breast milk samples were analysed by gas chromatography-mass spectrometry (GC/MS) operated in selected ion monitoring mode for 3-chloropropane-1,2-diol (3-MCPD). Whilst none of the samples contained 3-MCPD above the limit of detection of 3 microg kg(-1) milk, all contained high amounts of 3-MCPD esterified with higher fatty acids. The levels of 3-MCPD released by hydrolysis of these esters (bound 3-MCPD) ranged from the limit of detection (300 microg kg(-1), expressed on a fat basis) to 2195 microg kg(-1); with a mean level of bound 3-MCPD of 1014 microg kg(-1), which corresponded to 35.5 microg kg(-1) milk. The presence of bound 3-MCPD was confirmed using orthogonal gas chromatography coupled with high-speed time-of-flight mass spectrometry analysis for four randomly selected breast milk samples. Six breast milks collected from one of the nursing mothers 14-76 days after childbirth contained bound 3-MCPD within the range of 328-2078 microg kg(-1) fat (mean 930 microg kg(-1) fat). The calculated bound 3-MCPD content of these samples was within the range of 6 and 19 microg kg(-1) milk (mean of 12 microg kg(-1) milk). The major types of 3-MCPD esters were the symmetric diesters with lauric, palmitic, and oleic acids, and asymmetric diesters with palmitic acid/oleic acid among which 3-chloro-1,2-propanediol 1,2-dioleate prevailed.

Short paths in expander graphs

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

Kleinberg, J.; Rubinfeld, R.

Graph expansion has proved to be a powerful general tool for analyzing the behavior of routing algorithms and the interconnection networks on which they run. We develop new routing algorithms and structural results for bounded-degree expander graphs. Our results are unified by the fact that they are all based upon, and extend, a body of work asserting that expanders are rich in short, disjoint paths. In particular, our work has consequences for the disjoint paths problem, multicommodify flow, and graph minor containment. We show: (i) A greedy algorithm for approximating the maximum disjoint paths problem achieves a polylogarithmic approximation ratiomore » in bounded-degree expanders. Although our algorithm is both deterministic and on-line, its performance guarantee is an improvement over previous bounds in expanders. (ii) For a multicommodily flow problem with arbitrary demands on a bounded-degree expander, there is a (1 + {epsilon})-optimal solution using only flow paths of polylogarithmic length. It follows that the multicommodity flow algorithm of Awerbuch and Leighton runs in nearly linear time per commodity in expanders. Our analysis is based on establishing the following: given edge weights on an expander G, one can increase some of the weights very slightly so the resulting shortest-path metric is smooth - the min-weight path between any pair of nodes uses a polylogarithmic number of edges. (iii) Every bounded-degree expander on n nodes contains every graph with O(n/log{sup O(1)} n) nodes and edges as a minor.« less

Mechanistic Studies of Hafnium-Pyridyl Amido-Catalyzed 1-Octene Polymerization and Chain Transfer Using Quench-Labeling Methods.

PubMed

Cueny, Eric S; Johnson, Heather C; Anding, Bernie J; Landis, Clark R

2017-08-30

Chromophore quench-labeling applied to 1-octene polymerization as catalyzed by hafnium-pyridyl amido precursors enables quantification of the amount of active catalyst and observation of the molecular weight distribution (MWD) of Hf-bound polymers via UV-GPC analysis. Comparison of the UV-detected MWD with the MWD of the "bulk" (all polymers, from RI-GPC analysis) provides important mechanistic information. The time evolution of the dual-detection GPC data, concentration of active catalyst, and monomer consumption suggests optimal activation conditions for the Hf pre-catalyst in the presence of the activator [Ph 3 C][B(C 6 F 5 ) 4 ]. The chromophore quench-labeling agents do not react with the chain-transfer agent ZnEt 2 under the reaction conditions. Thus, Hf-bound polymeryls are selectively labeled in the presence of zinc-polymeryls. Quench-labeling studies in the presence of ZnEt 2 reveal that ZnEt 2 does not influence the rate of propagation at the Hf center, and chain transfer of Hf-bound polymers to ZnEt 2 is fast and quasi-irreversible. The quench-label techniques represent a means to study commercial polymerization catalysts that operate with high efficiency at low catalyst concentrations without the need for specialized equipment.

Evaluating the binding efficiency of pheromone binding protein with its natural ligand using molecular docking and fluorescence analysis

NASA Astrophysics Data System (ADS)

Ilayaraja, Renganathan; Rajkumar, Ramalingam; Rajesh, Durairaj; Muralidharan, Arumugam Ramachandran; Padmanabhan, Parasuraman; Archunan, Govindaraju

2014-06-01

Chemosignals play a crucial role in social and sexual communication among inter- and intra-species. Chemical cues are bound with protein that is present in the pheromones irrespective of sex are commonly called as pheromone binding protein (PBP). In rats, the pheromone compounds are bound with low molecular lipocalin protein α2u-globulin (α2u). We reported farnesol is a natural endogenous ligand (compound) present in rat preputial gland as a bound volatile compound. In the present study, an attempt has been made through computational method to evaluating the binding efficiency of α2u with the natural ligand (farnesol) and standard fluorescent molecule (2-naphthol). The docking analysis revealed that the binding energy of farnesol and 2-naphthol was almost equal and likely to share some binding pocket of protein. Further, to extrapolate the results generated through computational approach, the α2u protein was purified and subjected to fluorescence titration and binding assay. The results showed that the farnesol is replaced by 2-naphthol with high hydrophobicity of TYR120 in binding sites of α2u providing an acceptable dissociation constant indicating the binding efficiency of α2u. The obtained results are in corroboration with the data made through computational approach.

Spectroscopic characterization of metal bound phytochelatin analogue (Glu-Cys)4-Gly.

PubMed

Cheng, Yongsheng; Yan, Yong-Bin; Liu, Jinyuan

2005-10-01

The metal ion binding properties of a phytochelatin (PC) analogue, (Glu-Cys)4-Gly (named as EC4), have been studied by a divalent metal ion binding assay monitored by UV-visible spectroscopy, circular dichroism and NMR spectroscopy. Spectro- photometric titration with different divalent metal ions have revealed that the stiochoimetry of metal-bound EC4 was 1:1, and its metal binding affinities with different divalent metal ions in the order of Cd(II)>Cu(II)>Zn(II)>Pb(II)>Ni(II)>Co(II). UV-visible spectroscopic analysis of metal complexes indicated that four sulfur atoms in cysteine residues are attributable to ligand-to-metal charge transfer (LMCT) between divalent metal ions and EC4, and further confirmed by 1D H1 NMR study and Circular Dichroism. In addition, Circular Dichroism spectra of both free and metal-bound forms of EC4 revealed that metal coordination drives the nonapeptide chain to fold into a turned conformation. The comprehensive analysis of spectroscopic properties of the nonapeptide complexed with metal ions not only provides a fundamental description of the metal ion binding properties of PC analogue, but also shows a correlation between metal binding affinity of PC analogue and the induction activity of metal ions.

Sedimentation of Jurassic fan-delta wedges in the Xiahuayuan basin reflecting thrust-fault movements of the western Yanshan fold-and-thrust belt, China

NASA Astrophysics Data System (ADS)

Lin, Chengfa; Liu, Shaofeng; Zhuang, Qitian; Steel, Ronald J.

2018-06-01

Mesozoic thrusting within the Yanshan fold-and-thrust belt of North China resulted in a series of fault-bounded intramontane basins whose infill and evolution remain poorly understood. In particular, the bounding faults and adjacent sediment accumulations along the western segments of the belt are almost unstudied. A sedimentological and provenance analysis of the Lower Jurassic Xiahuayuan Formation and the Upper Jurassic Jiulongshan Formation have been mapped to show two distinctive clastic wedges: an early Jurassic wedge representing a mass-flow-dominated, Gilbert-type fan delta with a classic tripartite architecture, and an late Jurassic shoal-water fan delta without steeply inclined strata. The basinward migration of the fan-delta wedges, together with the analysis of their conglomerate clast compositions, paleocurrent data and detrital zircon U-Pb age spectra, strongly suggest that the northern-bounding Xuanhuan thrust fault controlled their growth during accumulation of the Jiulongshan Formation. Previous studies have suggested that the fan-delta wedge of the Xiahuayuan Formation was also syntectonic, related to movement on the Xuanhua thrust fault. Two stages of thrusting therefore exerted an influence on the formation and evolution of the Xiahuayuan basin during the early-late Jurassic.

Morphological resonances for multicomponent immunoassays

NASA Astrophysics Data System (ADS)

Whitten, W. B.; Shapiro, M. J.; Ramsey, J. M.; Bronk, B. V.

1995-06-01

An immunoassay technique capable of detecting and identifying a number of species of microorganisms in a single analysis is described. The method uses optical-resonance size discrimination of microspheres to identify antibodies to which stained microorganisms are bound.

Step-by-step strategy for protein enrichment and proteome characterisation of extracellular polymeric substances in wastewater treatment systems.

PubMed

Silva, Ana F; Carvalho, Gilda; Soares, Renata; Coelho, Ana V; Barreto Crespo, M Teresa

2012-08-01

Extracellular polymeric substances (EPS) are keys in biomass aggregation and settleability in wastewater treatment systems. In membrane bioreactors (MBR), EPS are an important factor as they are considered to be largely responsible for membrane fouling. Proteins were shown to be the major component of EPS produced by activated sludge and to be correlated with the properties of the sludge, like settling, hydrophobicity and cell aggregation. Previous EPS proteomic studies of activated sludge revealed several problems, like the interference of other EPS molecules in protein analysis. In this study, a successful strategy was outlined to identify the proteins from soluble and bound EPS extracted from activated sludge of a lab-scale MBR. EPS samples were first subjected to pre-concentration through lyophilisation, centrifugal ultrafiltration or concentration with a dialysis membrane coated by a highly absorbent powder of polyacrylate-polyalcohol, preceded or not by a dialysis step. The highest protein concentration factors were achieved with the highly absorbent powder method without previous dialysis step. Four protein precipitation methods were then tested: acetone, trichloroacetic acid (TCA), perchloric acid and a commercial kit. Protein profiles were compared in 4-12 % sodium dodecyl sulphate polyacrylamide gel electrophoresis gels. Both acetone and TCA should be applied for the highest coverage for soluble EPS proteins, whereas TCA was the best method for bound EPS proteins. All visible bands of selected profiles were subjected to mass spectrometry analysis. A high number of proteins (25-32 for soluble EPS and 17 for bound EPS) were identified. As a conclusion of this study, a workflow is proposed for the successful proteome characterisation of soluble and bound EPS from activated sludge samples.

Speciation of phosphorus in the continental shelf sediments in the Eastern Arabian Sea

NASA Astrophysics Data System (ADS)

Acharya, Shiba Shankar; Panigrahi, Mruganka Kumar; Kurian, John; Gupta, Anil Kumar; Tripathy, Subhasish

2016-03-01

The distributions of various forms of phosphorus (P) and their relation with sediment geochemistry in two core sediments near Karwar and Mangalore offshore have been studied through the modified SEDEX procedure (Ruttenberg et al., 2009) and bulk chemical analysis. The present study provides the first quantitative analysis of complete phosphorus speciation in the core sediments of the Eastern Arabian shelf. The chemical index of alteration (CIA), chemical Index of Weathering (CIW) and Al-Ti-Zr ternary diagram suggest low to moderate source area weathering of granodioritic to tonalitic source rock composition, despite the intense orographic rainfall in the source area. Due to the presence of same source rock and identical oxic depositional environment, the studied sediments show the same range of variation of total phosphorus (24 to 83 μmol/g) with a down-depth depleting trend. Organic bound P and detrital P are the two major chemical forms followed by iron-bound P, exchangeable/loosely bound P and authigenic P. The authigenic P content in the sediments near Mangalore coast varies linearly with calcium (r=0.88) unlike that of Karwar coast. The different reactive-phosphorus pools exhibit identical depleting trend with depth. This indicates that the phosphorus released from the organic matter and Fe bound fractions are prevented from precipitating as authigenic phosphates in the deeper parts of the sediment column. The low concentration of total P, dominance of detrital non-reactive fraction of P and inhibition of formation of authigenic phosphate result in the absence of active phosphatization in the Eastern Arabian Shelf in the studied region. High sedimentation rate (35-58 cm/kyr) and absence of winnowing effect appear to be the dominant factor controlling the P-speciation in the studied sediments.

The Molecular Basis of TnrA Control by Glutamine Synthetase in Bacillus subtilis*

PubMed Central

Hauf, Ksenia; Kayumov, Airat; Gloge, Felix; Forchhammer, Karl

2016-01-01

TnrA is a master regulator of nitrogen assimilation in Bacillus subtilis. This study focuses on the mechanism of how glutamine synthetase (GS) inhibits TnrA function in response to key metabolites ATP, AMP, glutamine, and glutamate. We suggest a model of two mutually exclusive GS conformations governing the interaction with TnrA. In the ATP-bound state (A-state), GS is catalytically active but unable to interact with TnrA. This conformation was stabilized by phosphorylated l-methionine sulfoximine (MSX), fixing the enzyme in the transition state. When occupied by glutamine (or its analogue MSX), GS resides in a conformation that has high affinity for TnrA (Q-state). The A- and Q-state are mutually exclusive, and in agreement, ATP and glutamine bind to GS in a competitive manner. At elevated concentrations of glutamine, ATP is no longer able to bind GS and to bring it into the A-state. AMP efficiently competes with ATP and prevents formation of the A-state, thereby favoring GS-TnrA interaction. Surface plasmon resonance analysis shows that TnrA bound to a positively regulated promoter fragment binds GS in the Q-state, whereas it rapidly dissociates from a negatively regulated promoter fragment. These data imply that GS controls TnrA activity at positively controlled promoters by shielding the transcription factor in the DNA-bound state. According to size exclusion and multiangle light scattering analysis, the dodecameric GS can bind three TnrA dimers. The highly interdependent ligand binding properties of GS reveal this enzyme as a sophisticated sensor of the nitrogen and energy state of the cell to control the activity of DNA-bound TnrA. PMID:26635369

Thermal porosity analysis of croscarmellose sodium and sodium starch glycolate by differential scanning calorimetry.

PubMed

Faroongsarng, Damrongsak; Peck, Garnet E

2003-12-30

The aim of the study was to demonstrate the applicability of differential scanning calorimetry (DSC) on porosity analysis for cellulose and starch. Croscarmellose sodium (CCS) and sodium starch glycolate (SSG) were allowed to sorb moisture in 85%, 90%, 95%, and 100% relative humidity (RH) at 40 degrees C for 24 hours. The pretreated samples were then subjected to DSC running temperature ranging from 25 degrees C to -50 degrees C at a cooling rate of 10 degrees C/min. The cooling traces of water crystallization, if present, were transformed to porosity distribution via capillary condensation using Kelvin's equation. The porosity analysis of CCS and SSG was also done using nitrogen adsorption as a reference method. It was found that sorbed water could not be frozen (in cases of 85% and 90% RH) until the moisture content exceeded a cutoff value (in cases of 95% and 100% RH). The nonfreezable moisture content was referred to tightly bound, plasticizing water, whereas the frozen one may be attributed to loosely bound water condensation in pore structure of CCS and SSG surfaces. Not only capillary condensation but also the tightly bound, nonfreezable monolayer water lying along the inner pores of the surface contributed to porosity determination. Good agreement with less than 5% deviation of mean pore size was observed when the results were compared with nitrogen adsorption. The narrower pore size distributions, however, were obtained because of the limitations of the technique. It was concluded that pore analysis by DSC could be successful. Further research needs to be done to account for limitations and to extend the applicability of the technique.

WINDOWS: a program for the analysis of spectral data foil activation measurements

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

Stallmann, F.W.; Eastham, J.F.; Kam, F.B.K.

The computer program WINDOWS together with its subroutines is described for the analysis of neutron spectral data foil activation measurements. In particular, the unfolding of the neutron differential spectrum, estimated windows and detector contributions, upper and lower bounds for an integral response, and group fluxes obtained from neutron transport calculations. 116 references. (JFP)

Exploring the Utility of Narrative Analysis in Diagnostic Decision Making: Picture-Bound Reference, Elaboration, and Fetal Alcohol Spectrum Disorders

ERIC Educational Resources Information Center

Thorne, John C.; Coggins, Truman E.; Olson, Heather Carmichael; Astley, Susan J.

2007-01-01

Purpose: To evaluate classification accuracy and clinical feasibility of a narrative analysis tool for identifying children with a fetal alcohol spectrum disorder (FASD). Method: Picture-elicited narratives generated by 16 age-matched pairs of school-aged children (FASD vs. typical development [TD]) were coded for semantic elaboration and…

DEVELOPMENT OF AN IN SITU THERMAL EXTRACTION DETECTION SYSTEM (TEDS) FOR RAPID, ACCURATE, QUANTITATIVE ANALYSIS OF ENVIRONMENTAL POLLUTANTS IN THE SUBSURFACE - PHASE I

EPA Science Inventory

Ion Signature Technology, Inc. (IST) will develop and market a collection and analysis system that will retrieve soil-bound pollutants as well as soluble and non-soluble contaminants from groundwater as the probe is pushed by cone penetrometry of Geoprobe into the subsurface. ...

Aids to navigation service force mix 2000 project. Volume 3 : analysis of multi-mission requirements and development of planning factors for the replacement buoy tender fleet

DOT National Transportation Integrated Search

1992-06-01

The Aids to Navigation (ATON) Service Force Mix (SFM) 2000 Project is documented in a Project Overview and three separately bound volumes. This is Volume III. The Project Overview describes the purpose, approach, analysis, and results of the ATON SFM...

Free and Bound Phenolic Compound Content and Antioxidant Activity of Different Cultivated Blue Highland Barley Varieties from the Qinghai-Tibet Plateau.

PubMed

Yang, Xi-Juan; Dang, Bin; Fan, Ming-Tao

2018-04-11

In this study, the polyphenols composition and antioxidant properties of 12 blue highland barley varieties planted on the Qinghai-Tibet Plateau area were measured. The contents of the free, bound and total phenolic acids varied between 166.20-237.60, 170.10-240.75 and 336.29-453.94 mg of gallic acid equivalents per 100 g of dry weight (DW) blue highland barley grains, while the free and bound phenolic acids accounted for 50.09% and 49.91% of the total phenolic acids, respectively. The contents of the free, bound and total flavones varied among 20.61-25.59, 14.91-22.38 and 37.91-47.98 mg of catechin equivalents per 100 g of dry weight (DW) of blue highland barley grains, while the free and bound flavones accounted for 55.90% and 44.10% of the total flavones, respectively. The prominent phenolic compounds in the blue hulless barley grains were gallic acid, benzoic acid, syringic acid, 4-coumaric acid, naringenin, hesperidin, rutin, (+)-catechin and quercetin. Among these, protocatechuic acid, chlorogenic acid and (+)-catechin were the major phenolic compounds in the free phenolics extract. The most abundant bound phenolics were gallic acid, benzoic acid, syringic acid, 4-coumaric acid, benzoic acid, dimethoxybenzoic acid, naringenin, hesperidin, quercetin and rutin. The average contribution of the bound phenolic extract to the DPPH • free radical scavenging capacity was higher than 86%, that of free phenolic extract to the ABTS •+ free radical scavenging capacity was higher than 79%, and that of free phenolic (53%) to the FRAP antioxidant activity was equivalent to that of the bound phenol extract (47%). In addition, the planting environment exerts a very important influence on the polyphenol composition, content and antioxidant activity of blue highland barley. The correlation analysis showed that 2,4-hydroxybenzoic acid and protocatechuic acid were the main contributors to the DPPH • and ABTS •+ free radical scavenging capacity in the free phenolic extract, while chlorogenic acid, vanillic acid, ferulic acid and quercetin were the main contributors to the free radical scavenging capacity in the bound phenol extract. The study results show that the blue highland barley grains have rich phenolic compounds and high antioxidant activity, as well as significant varietal differences. The free and bound phenolic extracts in the blue hulless barley grains have an equivalent proportion in the total phenol, and co-exist in two forms. They can be used as a potential valuable source of natural antioxidants, and can aid in enhancing the development and daily consumption of foods relating to blue highland barley.

Communication complexity and information complexity

NASA Astrophysics Data System (ADS)

Pankratov, Denis

Information complexity enables the use of information-theoretic tools in communication complexity theory. Prior to the results presented in this thesis, information complexity was mainly used for proving lower bounds and direct-sum theorems in the setting of communication complexity. We present three results that demonstrate new connections between information complexity and communication complexity. In the first contribution we thoroughly study the information complexity of the smallest nontrivial two-party function: the AND function. While computing the communication complexity of AND is trivial, computing its exact information complexity presents a major technical challenge. In overcoming this challenge, we reveal that information complexity gives rise to rich geometrical structures. Our analysis of information complexity relies on new analytic techniques and new characterizations of communication protocols. We also uncover a connection of information complexity to the theory of elliptic partial differential equations. Once we compute the exact information complexity of AND, we can compute exact communication complexity of several related functions on n-bit inputs with some additional technical work. Previous combinatorial and algebraic techniques could only prove bounds of the form theta( n). Interestingly, this level of precision is typical in the area of information theory, so our result demonstrates that this meta-property of precise bounds carries over to information complexity and in certain cases even to communication complexity. Our result does not only strengthen the lower bound on communication complexity of disjointness by making it more exact, but it also shows that information complexity provides the exact upper bound on communication complexity. In fact, this result is more general and applies to a whole class of communication problems. In the second contribution, we use self-reduction methods to prove strong lower bounds on the information complexity of two of the most studied functions in the communication complexity literature: Gap Hamming Distance (GHD) and Inner Product mod 2 (IP). In our first result we affirm the conjecture that the information complexity of GHD is linear even under the uniform distribution. This strengthens the O(n) bound shown by Kerenidis et al. (2012) and answers an open problem by Chakrabarti et al. (2012). We also prove that the information complexity of IP is arbitrarily close to the trivial upper bound n as the permitted error tends to zero, again strengthening the O(n) lower bound proved by Braverman and Weinstein (2011). More importantly, our proofs demonstrate that self-reducibility makes the connection between information complexity and communication complexity lower bounds a two-way connection. Whereas numerous results in the past used information complexity techniques to derive new communication complexity lower bounds, we explore a generic way, in which communication complexity lower bounds imply information complexity lower bounds in a black-box manner. In the third contribution we consider the roles that private and public randomness play in the definition of information complexity. In communication complexity, private randomness can be trivially simulated by public randomness. Moreover, the communication cost of simulating public randomness with private randomness is well understood due to Newman's theorem (1991). In information complexity, the roles of public and private randomness are reversed: public randomness can be trivially simulated by private randomness. However, the information cost of simulating private randomness with public randomness is not understood. We show that protocols that use only public randomness admit a rather strong compression. In particular, efficient simulation of private randomness by public randomness would imply a version of a direct sum theorem in the setting of communication complexity. This establishes a yet another connection between the two areas. (Abstract shortened by UMI.).

MaxEnt, second variation, and generalized statistics

NASA Astrophysics Data System (ADS)

Plastino, A.; Rocca, M. C.

2015-10-01

There are two kinds of Tsallis-probability distributions: heavy tail ones and compact support distributions. We show here, by appeal to functional analysis' tools, that for lower bound Hamiltonians, the second variation's analysis of the entropic functional guarantees that the heavy tail q-distribution constitutes a maximum of Tsallis' entropy. On the other hand, in the compact support instance, a case by case analysis is necessary in order to tackle the issue.

Methods for external event screening quantification: Risk Methods Integration and Evaluation Program (RMIEP) methods development

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

Ravindra, M.K.; Banon, H.

1992-07-01

In this report, the scoping quantification procedures for external events in probabilistic risk assessments of nuclear power plants are described. External event analysis in a PRA has three important goals; (1) the analysis should be complete in that all events are considered; (2) by following some selected screening criteria, the more significant events are identified for detailed analysis; (3) the selected events are analyzed in depth by taking into account the unique features of the events: hazard, fragility of structures and equipment, external-event initiated accident sequences, etc. Based on the above goals, external event analysis may be considered as amore » three-stage process: Stage I: Identification and Initial Screening of External Events; Stage II: Bounding Analysis; Stage III: Detailed Risk Analysis. In the present report, first, a review of published PRAs is given to focus on the significance and treatment of external events in full-scope PRAs. Except for seismic, flooding, fire, and extreme wind events, the contributions of other external events to plant risk have been found to be negligible. Second, scoping methods for external events not covered in detail in the NRC's PRA Procedures Guide are provided. For this purpose, bounding analyses for transportation accidents, extreme winds and tornadoes, aircraft impacts, turbine missiles, and chemical release are described.« less

78 FR 18326 - Agency Information Collection Activities; Comment Request; Upward Bound and Upward Bound Math...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-26

...; Comment Request; Upward Bound and Upward Bound Math Science Annual Performance Report AGENCY: The Office... considered public records. Title of Collection: Upward Bound and Upward Bound Math Science Annual Performance...) and Upward Bound Math and Science (UBMS) Programs. The Department is requesting a new APR because of...

Performance Evaluation of Parallel Branch and Bound Search with the Intel iPSC (Intel Personal SuperComputer) Hypercube Computer.

DTIC Science & Technology

1986-12-01

17 III. Analysis of Parallel Design ................................................ 18 Parallel Abstract Data ...Types ........................................... 18 Abstract Data Type .................................................. 19 Parallel ADT...22 Data -Structure Design ........................................... 23 Object-Oriented Design

Limiting Forces on Transit Trucks in Steady-State Curving

DOT National Transportation Integrated Search

1981-05-01

This study develops conservative bounds on wheel/rail forces and flange forces for several types of rigid and flexible trucks in steady-state curving conditions. The approximate analysis presented provides closed-form relations for estimating forces,...

Energy Efficient Data Transmission for Sensors with Wireless Charging

PubMed Central

Luo, Junzhou; Wu, Weiwei; Gao, Hong

2018-01-01

This paper studies the problem of maximizing the energy utilization for data transmission in sensors with periodical wireless charging process while taking into account the thermal effect. Two classes of problems are analyzed: one is the case that wireless charging can process for only a limited period of time, and the other is the case that wireless charging can process for a long enough time. Algorithms are proposed to solve the problems and analysis of these algorithms are also provided. For the first problem, three subproblems are studied, and, for the general problem, we give an algorithm that can derive a performance bound of (1−12m)(OPT−E) compared to an optimal solution. In addition, for the second problem, we provide an algorithm with 2m2m−1OPT+1 performance bound for the general problem. Simulations confirm the analysis of the algorithms. PMID:29419770

Energy Efficient Data Transmission for Sensors with Wireless Charging.

PubMed

Fang, Xiaolin; Luo, Junzhou; Wu, Weiwei; Gao, Hong

2018-02-08

This paper studies the problem of maximizing the energy utilization for data transmission in sensors with periodical wireless charging process while taking into account the thermal effect. Two classes of problems are analyzed: one is the case that wireless charging can process for only a limited period of time, and the other is the case that wireless charging can process for a long enough time. Algorithms are proposed to solve the problems and analysis of these algorithms are also provided. For the first problem, three subproblems are studied, and, for the general problem, we give an algorithm that can derive a performance bound of ( 1 - 1 2 m ) ( O P T - E ) compared to an optimal solution. In addition, for the second problem, we provide an algorithm with 2 m 2 m - 1 O P T + 1 performance bound for the general problem. Simulations confirm the analysis of the algorithms.

DNA-barcode directed capture and electrochemical metabolic analysis of single mammalian cells on a microelectrode array.

PubMed

Douglas, Erik S; Hsiao, Sonny C; Onoe, Hiroaki; Bertozzi, Carolyn R; Francis, Matthew B; Mathies, Richard A

2009-07-21

A microdevice is developed for DNA-barcode directed capture of single cells on an array of pH-sensitive microelectrodes for metabolic analysis. Cells are modified with membrane-bound single-stranded DNA, and specific single-cell capture is directed by the complementary strand bound in the sensor area of the iridium oxide pH microelectrodes within a microfluidic channel. This bifunctional microelectrode array is demonstrated for the pH monitoring and differentiation of primary T cells and Jurkat T lymphoma cells. Single Jurkat cells exhibited an extracellular acidification rate of 11 milli-pH min(-1), while primary T cells exhibited only 2 milli-pH min(-1). This system can be used to capture non-adherent cells specifically and to discriminate between visually similar healthy and cancerous cells in a heterogeneous ensemble based on their altered metabolic properties.

DNA-barcode directed capture and electrochemical metabolic analysis of single mammalian cells on a microelectrode array

PubMed Central

Douglas, Erik S.; Hsiao, Sonny C.; Onoe, Hiroaki; Bertozzi, Carolyn R.; Francis, Matthew B.; Mathies, Richard A.

2010-01-01

A microdevice is developed for DNA-barcode directed capture of single cells on an array of pH-sensitive microelectrodes for metabolic analysis. Cells are modified with membrane-bound single-stranded DNA, and specific single-cell capture is directed by the complementary strand bound in the sensor area of the iridium oxide pH microelectrodes within a microfluidic channel. This bifunctional microelectrode array is demonstrated for the pH monitoring and differentiation of primary T cells and Jurkat T lymphoma cells. Single Jurkat cells exhibited an extracellular acidification rate of 11 milli-pH min−1, while primary T cells exhibited only 2 milli-pH min−1. This system can be used to capture non-adherent cells specifically and to discriminate between visually similar healthy and cancerous cells in a heterogeneous ensemble based on their altered metabolic properties. PMID:19568668

Statistical plant set estimation using Schroeder-phased multisinusoidal input design

NASA Technical Reports Server (NTRS)

Bayard, D. S.

1992-01-01

A frequency domain method is developed for plant set estimation. The estimation of a plant 'set' rather than a point estimate is required to support many methods of modern robust control design. The approach here is based on using a Schroeder-phased multisinusoid input design which has the special property of placing input energy only at the discrete frequency points used in the computation. A detailed analysis of the statistical properties of the frequency domain estimator is given, leading to exact expressions for the probability distribution of the estimation error, and many important properties. It is shown that, for any nominal parametric plant estimate, one can use these results to construct an overbound on the additive uncertainty to any prescribed statistical confidence. The 'soft' bound thus obtained can be used to replace 'hard' bounds presently used in many robust control analysis and synthesis methods.

Parameter identification for structural dynamics based on interval analysis algorithm

NASA Astrophysics Data System (ADS)

Yang, Chen; Lu, Zixing; Yang, Zhenyu; Liang, Ke

2018-04-01

A parameter identification method using interval analysis algorithm for structural dynamics is presented in this paper. The proposed uncertain identification method is investigated by using central difference method and ARMA system. With the help of the fixed memory least square method and matrix inverse lemma, a set-membership identification technology is applied to obtain the best estimation of the identified parameters in a tight and accurate region. To overcome the lack of insufficient statistical description of the uncertain parameters, this paper treats uncertainties as non-probabilistic intervals. As long as we know the bounds of uncertainties, this algorithm can obtain not only the center estimations of parameters, but also the bounds of errors. To improve the efficiency of the proposed method, a time-saving algorithm is presented by recursive formula. At last, to verify the accuracy of the proposed method, two numerical examples are applied and evaluated by three identification criteria respectively.

Role of indirect readout mechanism in TATA box binding protein-DNA interaction.

PubMed

Mondal, Manas; Choudhury, Devapriya; Chakrabarti, Jaydeb; Bhattacharyya, Dhananjay

2015-03-01

Gene expression generally initiates from recognition of TATA-box binding protein (TBP) to the minor groove of DNA of TATA box sequence where the DNA structure is significantly different from B-DNA. We have carried out molecular dynamics simulation studies of TBP-DNA system to understand how the DNA structure alters for efficient binding. We observed rigid nature of the protein while the DNA of TATA box sequence has an inherent flexibility in terms of bending and minor groove widening. The bending analysis of the free DNA and the TBP bound DNA systems indicate presence of some similar structures. Principal coordinate ordination analysis also indicates some structural features of the protein bound and free DNA are similar. Thus we suggest that the DNA of TATA box sequence regularly oscillates between several alternate structures and the one suitable for TBP binding is induced further by the protein for proper complex formation.

“Stringy” coherent states inspired by generalized uncertainty principle

NASA Astrophysics Data System (ADS)

Ghosh, Subir; Roy, Pinaki

2012-05-01

Coherent States with Fractional Revival property, that explicitly satisfy the Generalized Uncertainty Principle (GUP), have been constructed in the context of Generalized Harmonic Oscillator. The existence of such states is essential in motivating the GUP based phenomenological results present in the literature which otherwise would be of purely academic interest. The effective phase space is Non-Canonical (or Non-Commutative in popular terminology). Our results have a smooth commutative limit, equivalent to Heisenberg Uncertainty Principle. The Fractional Revival time analysis yields an independent bound on the GUP parameter. Using this and similar bounds obtained here, we derive the largest possible value of the (GUP induced) minimum length scale. Mandel parameter analysis shows that the statistics is Sub-Poissonian. Correspondence Principle is deformed in an interesting way. Our computational scheme is very simple as it requires only first order corrected energy values and undeformed basis states.

Monte Carlo investigation of transient acoustic fields in partially or completely bounded medium. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Thanedar, B. D.

1972-01-01

A simple repetitive calculation was used to investigate what happens to the field in terms of the signal paths of disturbances originating from the energy source. The computation allowed the field to be reconstructed as a function of space and time on a statistical basis. The suggested Monte Carlo method is in response to the need for a numerical method to supplement analytical methods of solution which are only valid when the boundaries have simple shapes, rather than for a medium that is bounded. For the analysis, a suitable model was created from which was developed an algorithm for the estimation of acoustic pressure variations in the region under investigation. The validity of the technique was demonstrated by analysis of simple physical models with the aid of a digital computer. The Monte Carlo method is applicable to a medium which is homogeneous and is enclosed by either rectangular or curved boundaries.

Propagating Mixed Uncertainties in Cyber Attacker Payoffs: Exploration of Two-Phase Monte Carlo Sampling and Probability Bounds Analysis

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

Chatterjee, Samrat; Tipireddy, Ramakrishna; Oster, Matthew R.

Securing cyber-systems on a continual basis against a multitude of adverse events is a challenging undertaking. Game-theoretic approaches, that model actions of strategic decision-makers, are increasingly being applied to address cybersecurity resource allocation challenges. Such game-based models account for multiple player actions and represent cyber attacker payoffs mostly as point utility estimates. Since a cyber-attacker’s payoff generation mechanism is largely unknown, appropriate representation and propagation of uncertainty is a critical task. In this paper we expand on prior work and focus on operationalizing the probabilistic uncertainty quantification framework, for a notional cyber system, through: 1) representation of uncertain attacker andmore » system-related modeling variables as probability distributions and mathematical intervals, and 2) exploration of uncertainty propagation techniques including two-phase Monte Carlo sampling and probability bounds analysis.« less

Adaptive distributed source coding.

PubMed

Varodayan, David; Lin, Yao-Chung; Girod, Bernd

2012-05-01

We consider distributed source coding in the presence of hidden variables that parameterize the statistical dependence among sources. We derive the Slepian-Wolf bound and devise coding algorithms for a block-candidate model of this problem. The encoder sends, in addition to syndrome bits, a portion of the source to the decoder uncoded as doping bits. The decoder uses the sum-product algorithm to simultaneously recover the source symbols and the hidden statistical dependence variables. We also develop novel techniques based on density evolution (DE) to analyze the coding algorithms. We experimentally confirm that our DE analysis closely approximates practical performance. This result allows us to efficiently optimize parameters of the algorithms. In particular, we show that the system performs close to the Slepian-Wolf bound when an appropriate doping rate is selected. We then apply our coding and analysis techniques to a reduced-reference video quality monitoring system and show a bit rate saving of about 75% compared with fixed-length coding.

Enhanced PM10 bounded PAHs from shipping emissions

NASA Astrophysics Data System (ADS)

Pongpiachan, S.; Hattayanone, M.; Choochuay, C.; Mekmok, R.; Wuttijak, N.; Ketratanakul, A.

2015-05-01

Earlier studies have highlighted the importance of maritime transport as a main contributor of air pollutants in port area. The authors intended to investigate the effects of shipping emissions on the enhancement of PM10 bounded polycyclic aromatic hydrocarbons (PAHs) and mutagenic substances in an industrial area of Rayong province, Thailand. Daily PM10 speciation data across two air quality observatory sites in Thailand during 2010-2013 were collected. Diagnostic binary ratios of PAH congeners, analysis of variances (ANOVA), and principal component analysis (PCA) were employed to evaluate the enhanced genotoxicity of PM10 during the docking period. Significant increase of PAHs and mutagenic index (MI) of PM10 were observed during the docking period in both sampling sites. Although stationary sources like coal combustions from power plants and vehicular exhausts from motorway can play a great role in enhancing PAH concentrations, regulating shipping emissions from diesel engine in the port area like Rayong is predominantly crucial.

An Analytical Framework for Runtime of a Class of Continuous Evolutionary Algorithms.

PubMed

Zhang, Yushan; Hu, Guiwu

2015-01-01

Although there have been many studies on the runtime of evolutionary algorithms in discrete optimization, relatively few theoretical results have been proposed on continuous optimization, such as evolutionary programming (EP). This paper proposes an analysis of the runtime of two EP algorithms based on Gaussian and Cauchy mutations, using an absorbing Markov chain. Given a constant variation, we calculate the runtime upper bound of special Gaussian mutation EP and Cauchy mutation EP. Our analysis reveals that the upper bounds are impacted by individual number, problem dimension number n, searching range, and the Lebesgue measure of the optimal neighborhood. Furthermore, we provide conditions whereby the average runtime of the considered EP can be no more than a polynomial of n. The condition is that the Lebesgue measure of the optimal neighborhood is larger than a combinatorial calculation of an exponential and the given polynomial of n.

High-Density Signal Interface Electromagnetic Radiation Prediction for Electromagnetic Compatibility Evaluation.

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

Halligan, Matthew

Radiated power calculation approaches for practical scenarios of incomplete high- density interface characterization information and incomplete incident power information are presented. The suggested approaches build upon a method that characterizes power losses through the definition of power loss constant matrices. Potential radiated power estimates include using total power loss information, partial radiated power loss information, worst case analysis, and statistical bounding analysis. A method is also proposed to calculate radiated power when incident power information is not fully known for non-periodic signals at the interface. Incident data signals are modeled from a two-state Markov chain where bit state probabilities aremore » derived. The total spectrum for windowed signals is postulated as the superposition of spectra from individual pulses in a data sequence. Statistical bounding methods are proposed as a basis for the radiated power calculation due to the statistical calculation complexity to find a radiated power probability density function.« less

Direct detection of light ''Ge-phobic'' exothermic dark matter

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

Gelmini, Graciela B.; Georgescu, Andreea; Huh, Ji-Haeng, E-mail: gelmini@physics.ucla.edu, E-mail: a.georgescu@physics.ucla.edu, E-mail: jhhuh@physics.ucla.edu

2014-07-01

We present comparisons of direct dark matter (DM) detection data for light WIMPs with exothermic scattering with nuclei (exoDM), both assuming the Standard Halo Model (SHM) and in a halo model–independent manner. Exothermic interactions favor light targets, thus reducing the importance of upper limits derived from xenon targets, the most restrictive of which is at present the LUX limit. In our SHM analysis the CDMS-II-Si and CoGeNT regions become allowed by these bounds, however the recent SuperCDMS limit rejects both regions for exoDM with isospin-conserving couplings. An isospin-violating coupling of the exoDM, in particular one with a neutron to protonmore » coupling ratio of -0.8 (which we call ''Ge-phobic''), maximally reduces the DM coupling to germanium and allows the CDMS-II-Si region to become compatible with all bounds. This is also clearly shown in our halo-independent analysis.« less

The anchoring bias reflects rational use of cognitive resources.

PubMed

Lieder, Falk; Griffiths, Thomas L; M Huys, Quentin J; Goodman, Noah D

2018-02-01

Cognitive biases, such as the anchoring bias, pose a serious challenge to rational accounts of human cognition. We investigate whether rational theories can meet this challenge by taking into account the mind's bounded cognitive resources. We asked what reasoning under uncertainty would look like if people made rational use of their finite time and limited cognitive resources. To answer this question, we applied a mathematical theory of bounded rationality to the problem of numerical estimation. Our analysis led to a rational process model that can be interpreted in terms of anchoring-and-adjustment. This model provided a unifying explanation for ten anchoring phenomena including the differential effect of accuracy motivation on the bias towards provided versus self-generated anchors. Our results illustrate the potential of resource-rational analysis to provide formal theories that can unify a wide range of empirical results and reconcile the impressive capacities of the human mind with its apparently irrational cognitive biases.

Constraint on the primordial gravitational waves from the joint analysis of BICEP2 and Planck HFI 353 GHz dust polarization data

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

Cheng, Cheng; Huang, Qing-Guo; Wang, Sai, E-mail: chcheng@itp.ac.cn, E-mail: huangqg@itp.ac.cn, E-mail: wangsai@itp.ac.cn

2014-12-01

We make a joint analysis of BICEP2 and recently released Planck HFI 353 GHz dust polarization data, and find that there is no evidence for the primordial gravitational waves and the bound on the tensor-to-scalar ratio becomes r < 0.083 at 95% confidence level in the base ΛCDM + tensor model. Extending to the model with running of scalar spectral index, the bound is a little bit relaxed to r < 0.116 at 95% confidence level. Our results imply that the inflation model with a single monomial potential is marginally disfavored at around 95% confidence level. Especially, the m{sup 2}φ{supmore » 2}/2 inflation model is disfavored at more than 2σ level. However, the Starobinsky inflation model gives a nice fit.« less

Physical region for three-neutrino mixing angles

NASA Astrophysics Data System (ADS)

Latimer, D. C.; Ernst, D. J.

2005-01-01

We derive a set of symmetry relations for the three-neutrino mixing angles, including the Mikheyev-Smirnov-Wolfenstein (MSW) matter effect. Though interesting in their own right, these relations are used to choose the physical region of the mixing angles such that oscillations are parametrized completely and uniquely. We propose that the preferred way of setting the bounds on the mixing angles should be θ12∈[0,π/2], θ13∈[-π/2,π/2], θ23∈[0,π/2], and δ∈[0,π). No CP violation then results simply from setting δ=0. In the presence of the MSW effect, this choice of bounds is a new result. Since the size of the asymmetry about θ13=0 is dependent on the details of the data analysis and is a part of the results of the analysis, we argue that the negative values of θ13 should not be ignored.

One-pot synthesis of iniferter-bound polystyrene core nanoparticles for the controlled grafting of multilayer shells

NASA Astrophysics Data System (ADS)

Marchyk, Nataliya; Maximilien, Jacqueline; Beyazit, Selim; Haupt, Karsten; Sum Bui, Bernadette Tse

2014-02-01

A novel approach using one-pot synthesis for the production of uniform, iniferter-bound polystyrene core nanoparticles of size 30-40 nm is described. Conventional oil-in-water emulsion polymerisation of styrene and divinylbenzene, combining a hybrid initiation system (thermal and UV), triggered sequentially, was employed to form the surface-bound thiocarbamate iniferters in situ. The iniferter cores were then used as seeds for re-initiating further polymerisation by UV irradiation to produce water-compatible core-shell nanoparticles. Grafting of various shell-types is demonstrated: linear polymers of poly(N-isopropylacrylamide) brushes, crosslinked polymers bearing different surface charges and molecularly imprinted polymers. The shell thickness was readily tuned by varying the monomers' concentration and polymerisation time. Our method is straightforward and in addition, gives access to the preparation of fluorescent seeds and the possibility of grafting nanosized multiple shells. The core-shell nanoparticles were fully characterised by dynamic light scattering, transmission electron microscopy, Fourier transform infrared spectroscopy and microelemental analysis.A novel approach using one-pot synthesis for the production of uniform, iniferter-bound polystyrene core nanoparticles of size 30-40 nm is described. Conventional oil-in-water emulsion polymerisation of styrene and divinylbenzene, combining a hybrid initiation system (thermal and UV), triggered sequentially, was employed to form the surface-bound thiocarbamate iniferters in situ. The iniferter cores were then used as seeds for re-initiating further polymerisation by UV irradiation to produce water-compatible core-shell nanoparticles. Grafting of various shell-types is demonstrated: linear polymers of poly(N-isopropylacrylamide) brushes, crosslinked polymers bearing different surface charges and molecularly imprinted polymers. The shell thickness was readily tuned by varying the monomers' concentration and polymerisation time. Our method is straightforward and in addition, gives access to the preparation of fluorescent seeds and the possibility of grafting nanosized multiple shells. The core-shell nanoparticles were fully characterised by dynamic light scattering, transmission electron microscopy, Fourier transform infrared spectroscopy and microelemental analysis. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr05295h

Identification of a GTP-bound Rho specific scFv molecular sensor by phage display selection

PubMed Central

Goffinet, Marine; Chinestra, Patrick; Lajoie-Mazenc, Isabelle; Medale-Giamarchi, Claire; Favre, Gilles; Faye, Jean-Charles

2008-01-01

Background The Rho GTPases A, B and C proteins, members of the Rho family whose activity is regulated by GDP/GTP cycling, function in many cellular pathways controlling proliferation and have recently been implicated in tumorigenesis. Although overexpression of Rho GTPases has been correlated with tumorigenesis, only their GTP-bound forms are able to activate the signalling pathways implicated in tumorigenesis. Thus, the focus of much recent research has been to identify biological tools capable of quantifying the level of cellular GTP-bound Rho, or determining the subcellular location of activation. However useful, these tools used to study the mechanism of Rho activation still have limitations. The aim of the present work was to employ phage display to identify a conformationally-specific single chain fragment variable (scFv) that recognizes the active, GTP-bound, form of Rho GTPases and is able to discriminate it from the inactive, GDP-bound, Rho in endogenous settings. Results After five rounds of phage selection using a constitutively activated mutant of RhoB (RhoBQ63L), three scFvs (A8, C1 and D11) were selected for subsequent analysis. Further biochemical characterization was pursued for the single clone, C1, exhibiting an scFv structure. C1 was selective for the GTP-bound form of RhoA, RhoB, as well as RhoC, and failed to recognize GTP-loaded Rac1 or Cdc42, two other members of the Rho family. To enhance its production, soluble C1 was expressed in fusion with the N-terminal domain of phage protein pIII (scFv C1-N1N2), it appeared specifically associated with GTP-loaded recombinant RhoA and RhoB via immunoprecipitation, and endogenous activated Rho in HeLa cells as determined by immunofluorescence. Conclusion We identified an antibody, C1-N1N2, specific for the GTP-bound form of RhoB from a phage library, and confirmed its specificity towards GTP-bound RhoA and RhoC, as well as RhoB. The success of C1-N1N2 in discriminating activated Rho in immunofluorescence studies implies that this new tool, in collaboration with currently used RhoA and B antibodies, has the potential to analyze Rho activation in cell function and tumor development. PMID:18377644

An algorithm for the estimation of bounds on the emissivity and temperatures from thermal multispectral airborne remotely sensed data

NASA Technical Reports Server (NTRS)

Jaggi, S.; Quattrochi, D.; Baskin, R.

1992-01-01

The effective flux incident upon the detectors of a thermal sensor, after it has been corrected for atmospheric effects, is a function of a non-linear combination of the emissivity of the target for that channel and the temperature of the target. The sensor system cannot separate the contribution from the emissivity and the temperature that constitute the flux value. A method that estimates the bounds on these temperatures and emissivities from thermal data is described. This method is then tested with remotely sensed data obtained from NASA's Thermal Infrared Multispectral Scanner (TIMS) - a 6 channel thermal sensor. Since this is an under-determined set of equations i.e. there are 7 unknowns (6 emissivities and 1 temperature) and 6 equations (corresponding to the 6 channel fluxes), there exist theoretically an infinite combination of values of emissivities and temperature that can satisfy these equations. Using some realistic bounds on the emissivities, bounds on the temperature are calculated. These bounds on the temperature are refined to estimate a tighter bound on the emissivity of the source. An error analysis is also carried out to quantitatively determine the extent of uncertainty introduced in the estimate of these parameters. This method is useful only when a realistic set of bounds can be obtained for the emissivities of the data. In the case of water the lower and upper bounds were set at 0.97 and 1.00 respectively. Five flights were flown in succession at altitudes of 2 km (low), 6 km (mid), 12 km (high), and then back again at 6 km and 2 km. The area selected with the Ross Barnett reservoir near Jackson, Mississippi. The mission was flown during the predawn hours of 1 Feb. 1992. Radiosonde data was collected for that duration to profile the characteristics of the atmosphere. Ground truth temperatures using thermometers and radiometers were also obtained over an area of the reservoir. The results of two independent runs of the radiometer data averaged 7.03 plus or minus .70 for the first run and 7.31 plus or minus .88 for the second run. The results of the algorithm yield a temperature of 7.68 for the low altitude data to 8.73 for the high altitude data.

Certified dual-corrected radiation patterns of phased antenna arrays by offline–online order reduction of finite-element models

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

Sommer, A., E-mail: a.sommer@lte.uni-saarland.de; Farle, O., E-mail: o.farle@lte.uni-saarland.de; Dyczij-Edlinger, R., E-mail: edlinger@lte.uni-saarland.de

2015-10-15

This paper presents a fast numerical method for computing certified far-field patterns of phased antenna arrays over broad frequency bands as well as wide ranges of steering and look angles. The proposed scheme combines finite-element analysis, dual-corrected model-order reduction, and empirical interpolation. To assure the reliability of the results, improved a posteriori error bounds for the radiated power and directive gain are derived. Both the reduced-order model and the error-bounds algorithm feature offline–online decomposition. A real-world example is provided to demonstrate the efficiency and accuracy of the suggested approach.

Computation-Guided Backbone Grafting of a Discontinuous Motif onto a Protein Scaffold

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

Azoitei, Mihai L.; Correia, Bruno E.; Ban, Yih-En Andrew

2012-02-07

The manipulation of protein backbone structure to control interaction and function is a challenge for protein engineering. We integrated computational design with experimental selection for grafting the backbone and side chains of a two-segment HIV gp120 epitope, targeted by the cross-neutralizing antibody b12, onto an unrelated scaffold protein. The final scaffolds bound b12 with high specificity and with affinity similar to that of gp120, and crystallographic analysis of a scaffold bound to b12 revealed high structural mimicry of the gp120-b12 complex structure. The method can be generalized to design other functional proteins through backbone grafting.

Geometric situation of points of division of regions of direct and return currency in channels with the presence of heating zone limited on the longitudinal coordinate

NASA Astrophysics Data System (ADS)

Gerasimov, A.; Kirpichnikov, A.; Sabirova, F.

2018-03-01

The analysis of energy balance equation for viscous laminar flow of fluid or gas in the cylindrical channel in the area (zone) of warm up bounded along the longitudinal coordinate is made. It was found that at laminar flow of fluid or gas in a round pipe, in each warm up area bounded along the longitudinal coordinate there are the areas of direct and reverse flows separated by a plane that is a locus of points where temperature is maximal for each fixed value of radial coordinate r.

Analysis of calcium-induced conformational changes in calcium-binding allergens and quantitative determination of their IgE binding properties.

PubMed

Parody, Nuria; Fuertes, Miguel Angel; Alonso, Carlos; Pico de Coaña, Yago

2013-01-01

The polcalcin family is one of the most epidemiologically relevant families of calcium-binding allergens. Polcalcins are potent plant allergens that contain one or several EF-hand motifs and their allergenicity is primarily associated with the Ca(2+)-bound form of the protein. Conformation, stability, as well as IgE recognition of calcium-binding allergens greatly depend on the presence of protein-bound calcium ions. We describe a protocol that uses three techniques (SDS-PAGE, circular dichroism spectroscopy, and ELISA) to describe the effects that calcium has on the structural changes in an allergen and its IgE binding properties.

Positive Newborn Screen for Methylmalonic Aciduria Identifies the First Mutation in TCblR/CD320, the Gene for Cellular Uptake of Transcobalamin-bound Vitamin B12

PubMed Central

Quadros, Edward V.; Lai, Shao-Chiang; Nakayama, Yasumi; Sequeira, Jeffrey M.; Hannibal, Luciana; Wang, Sihe; Jacobsen, Donald W.; Fedosov, Sergey; Wright, Erica; Gallagher, Renata C.; Anastasio, Natascia; Watkins, David; Rosenblatt, David S.

2010-01-01

Elevated methylmalonic acid in five asymptomatic newborns whose fibroblasts showed decreased uptake of transcobalamin-bound cobalamin (holo-TC), suggested a defect in the cellular uptake of cobalamin. Analysis of TCblR/CD320, the gene for the receptor for cellular uptake of holo-TC, identified a homozygous single codon deletion, c.262_264GAG (p.E88del), resulting in the loss of a glutamic acid residue in the low-density lipoprotein receptor type A-like domain. Inserting the codon by site-directed mutagenesis fully restored TCblR function. PMID:20524213

On subgame perfect equilibria in quantum Stackelberg duopoly

NASA Astrophysics Data System (ADS)

Frąckiewicz, Piotr; Pykacz, Jarosław

2018-02-01

Our purpose is to study the Stackelberg duopoly with the use of the Li-Du-Massar quantum duopoly scheme. The result of Lo and Kiang has shown that the correlation of players's quantities caused by the quantum entanglement enlarges the first-mover advantage in the quantum Stackelberg duopoly. However, the interval of entanglement parameters for which this result is valid is bounded from above. It has been an open question what the equilibrium result is over the upper bound, in particular when the entanglement parameter goes to infinity. Our work provides complete analysis of subgame perfect equilibria of the game for all the values of the entanglement parameter.

A new learning strategy for the two-time-scale neural controller with its application to the tracking control of rigid arms

NASA Technical Reports Server (NTRS)

Cheng, W.; Wen, J. T.

1992-01-01

A novel fast learning rule with fast weight identification is proposed for the two-time-scale neural controller, and a two-stage learning strategy is developed for the proposed neural controller. The results of the stability analysis show that both the tracking error and the fast weight error will be uniformly bounded and converge to a bounded region which depends only on the accuracy of the slow learning if the system is sufficiently excited. The efficiency of the two-stage learning is also demonstrated by a simulation of a two-link arm.

Entropy bounds, acceleration radiation, and the generalized second law

NASA Astrophysics Data System (ADS)

Unruh, William G.; Wald, Robert M.

1983-05-01

We calculate the net change in generalized entropy occurring when one attempts to empty the contents of a thin box into a black hole in the manner proposed recently by Bekenstein. The case of a "thick" box also is treated. It is shown that, as in our previous analysis, the effects of acceleration radiation prevent a violation of the generalized second law of thermodynamics. Thus, in this example, the validity of the generalized second law is shown to rest only on the validity of the ordinary second law and the existence of acceleration radiation. No additional assumptions concerning entropy bounds on the contents of the box need to be made.

Lazy checkpoint coordination for bounding rollback propagation

NASA Technical Reports Server (NTRS)

Wang, Yi-Min; Fuchs, W. Kent

1992-01-01

Independent checkpointing allows maximum process autonomy but suffers from potential domino effects. Coordinated checkpointing eliminates the domino effect by sacrificing a certain degree of process autonomy. In this paper, we propose the technique of lazy checkpoint coordination which preserves process autonomy while employing communication-induced checkpoint coordination for bounding rollback propagation. The introduction of the notion of laziness allows a flexible trade-off between the cost for checkpoint coordination and the average rollback distance. Worst-case overhead analysis provides a means for estimating the extra checkpoint overhead. Communication trace-driven simulation for several parallel programs is used to evaluate the benefits of the proposed scheme for real applications.

Soft-decision decoding techniques for linear block codes and their error performance analysis

NASA Technical Reports Server (NTRS)

Lin, Shu

1996-01-01

The first paper presents a new minimum-weight trellis-based soft-decision iterative decoding algorithm for binary linear block codes. The second paper derives an upper bound on the probability of block error for multilevel concatenated codes (MLCC). The bound evaluates difference in performance for different decompositions of some codes. The third paper investigates the bit error probability code for maximum likelihood decoding of binary linear codes. The fourth and final paper included in this report is concerns itself with the construction of multilevel concatenated block modulation codes using a multilevel concatenation scheme for the frequency non-selective Rayleigh fading channel.

Compressive sampling of polynomial chaos expansions: Convergence analysis and sampling strategies

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

Hampton, Jerrad; Doostan, Alireza, E-mail: alireza.doostan@colorado.edu

2015-01-01

Sampling orthogonal polynomial bases via Monte Carlo is of interest for uncertainty quantification of models with random inputs, using Polynomial Chaos (PC) expansions. It is known that bounding a probabilistic parameter, referred to as coherence, yields a bound on the number of samples necessary to identify coefficients in a sparse PC expansion via solution to an ℓ{sub 1}-minimization problem. Utilizing results for orthogonal polynomials, we bound the coherence parameter for polynomials of Hermite and Legendre type under their respective natural sampling distribution. In both polynomial bases we identify an importance sampling distribution which yields a bound with weaker dependence onmore » the order of the approximation. For more general orthonormal bases, we propose the coherence-optimal sampling: a Markov Chain Monte Carlo sampling, which directly uses the basis functions under consideration to achieve a statistical optimality among all sampling schemes with identical support. We demonstrate these different sampling strategies numerically in both high-order and high-dimensional, manufactured PC expansions. In addition, the quality of each sampling method is compared in the identification of solutions to two differential equations, one with a high-dimensional random input and the other with a high-order PC expansion. In both cases, the coherence-optimal sampling scheme leads to similar or considerably improved accuracy.« less

CMB bispectrum, trispectrum, non-Gaussianity, and the Cramer-Rao bound

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

Kamionkowski, Marc; Smith, Tristan L.; Heavens, Alan

Minimum-variance estimators for the parameter f{sub nl} that quantifies local-model non-Gaussianity can be constructed from the cosmic microwave background (CMB) bispectrum (three-point function) and also from the trispectrum (four-point function). Some have suggested that a comparison between the estimates for the values of f{sub nl} from the bispectrum and trispectrum allow a consistency test for the model. But others argue that the saturation of the Cramer-Rao bound--which gives a lower limit to the variance of an estimator--by the bispectrum estimator implies that no further information on f{sub nl} can be obtained from the trispectrum. Here, we elaborate the nature ofmore » the correlation between the bispectrum and trispectrum estimators for f{sub nl}. We show that the two estimators become statistically independent in the limit of large number of CMB pixels, and thus that the trispectrum estimator does indeed provide additional information on f{sub nl} beyond that obtained from the bispectrum. We explain how this conclusion is consistent with the Cramer-Rao bound. Our discussion of the Cramer-Rao bound may be of interest to those doing Fisher-matrix parameter-estimation forecasts or data analysis in other areas of physics as well.« less

Preparation of the Nuclear Matrix for Parallel Microscopy and Biochemical Analyses.

PubMed

Wilson, Rosemary H C; Hesketh, Emma L; Coverley, Dawn

2016-01-04

Immobilized proteins within the nucleus are usually identified by treating cells with detergent. The detergent-resistant fraction is often assumed to be chromatin and is described as such in many studies. However, this fraction consists of both chromatin-bound and nuclear-matrix-bound proteins. To investigate nuclear-matrix-bound proteins alone, further separation of these fractions is required; the DNA must be removed so that the remaining proteins can be compared with those from untreated cells. This protocol uses a nonionic detergent (Triton X-100) to remove membranes and soluble proteins from cells under physiologically relevant salt concentrations, followed by extraction with 0.5 m NaCl, digestion with DNase I, and removal of fragmented DNA. It uses a specialized buffer (cytoskeletal buffer) to stabilize the cytoskeleton and nuclear matrix in relatively gentle conditions. Nuclear matrix proteins can then be assessed by either immunofluorescence (IF) and immunoblotting (IB). IB has the advantage of resolving different forms of a protein of interest, and the soluble fractions can be analyzed. The major advantage of IF analysis is that individual cells (rather than homogenized populations) can be monitored, and the spatial arrangement of proteins bound to residual nuclear structures can be revealed. © 2016 Cold Spring Harbor Laboratory Press.

Neutrino mass implications for muon decay parameters

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

Erwin, Rebecca J.; Kile, Jennifer; Ramsey-Musolf, Michael J.

2007-02-01

We use the scale of neutrino mass and naturalness considerations to obtain model-independent expectations for the magnitude of possible contributions to muon decay Michel parameters from new physics above the electroweak symmetry-breaking scale. Focusing on Dirac neutrinos, we obtain a complete basis of dimension four and dimension six effective operators that are invariant under the gauge symmetry of the standard model and that contribute to both muon decay and neutrino mass. We show that - in the absence of fine tuning - the most stringent neutrino-mass naturalness bounds on chirality-changing vector operators relevant to muon decay arise from one-loop operatormore » mixing. The bounds we obtain on their contributions to the Michel parameters are 2 orders of magnitude stronger than bounds previously obtained in the literature. In addition, we analyze the implications of one-loop matching considerations and find that the expectations for the size of various scalar and tensor contributions to the Michel parameters are considerably smaller than derived from previous estimates of two-loop operator mixing. We also show, however, that there exist gauge-invariant operators that generate scalar and tensor contributions to muon decay but whose flavor structure allows them to evade neutrino-mass naturalness bounds. We discuss the implications of our analysis for the interpretation of muon-decay experiments.« less

Performance analysis of a cascaded coding scheme with interleaved outer code

NASA Technical Reports Server (NTRS)

Lin, S.

1986-01-01

A cascaded coding scheme for a random error channel with a bit-error rate is analyzed. In this scheme, the inner code C sub 1 is an (n sub 1, m sub 1l) binary linear block code which is designed for simultaneous error correction and detection. The outer code C sub 2 is a linear block code with symbols from the Galois field GF (2 sup l) which is designed for correcting both symbol errors and erasures, and is interleaved with a degree m sub 1. A procedure for computing the probability of a correct decoding is presented and an upper bound on the probability of a decoding error is derived. The bound provides much better results than the previous bound for a cascaded coding scheme with an interleaved outer code. Example schemes with inner codes ranging from high rates to very low rates are evaluated. Several schemes provide extremely high reliability even for very high bit-error rates say 10 to the -1 to 10 to the -2 power.

Stochastic analysis of three-dimensional flow in a bounded domain

USGS Publications Warehouse

Naff, R.L.; Vecchia, A.V.

1986-01-01

A commonly accepted first-order approximation of the equation for steady state flow in a fully saturated spatially random medium has the form of Poisson's equation. This form allows for the advantageous use of Green's functions to solve for the random output (hydraulic heads) in terms of a convolution over the random input (the logarithm of hydraulic conductivity). A solution for steady state three- dimensional flow in an aquifer bounded above and below is presented; consideration of these boundaries is made possible by use of Green's functions to solve Poisson's equation. Within the bounded domain the medium hydraulic conductivity is assumed to be a second-order stationary random process as represented by a simple three-dimensional covariance function. Upper and lower boundaries are taken to be no-flow boundaries; the mean flow vector lies entirely in the horizontal dimensions. The resulting hydraulic head covariance function exhibits nonstationary effects resulting from the imposition of boundary conditions. Comparisons are made with existing infinite domain solutions.

Unified trade-off optimization for general heat devices with nonisothermal processes.

PubMed

Long, Rui; Liu, Wei

2015-04-01

An analysis of the efficiency and coefficient of performance (COP) for general heat engines and refrigerators with nonisothermal processes is conducted under the trade-off criterion. The specific heat of the working medium has significant impacts on the optimal configurations of heat devices. For cycles with constant specific heat, the bounds of the efficiency and COP are found to be the same as those obtained through the endoreversible Carnot ones. However, they are independent of the cycle time durations. For cycles with nonconstant specific heat, whose dimensionless contact time approaches infinity, the general alternative upper and lower bounds of the efficiency and COP under the trade-off criteria have been proposed under the asymmetric limits. Furthermore, when the dimensionless contact time approaches zero, the endoreversible Carnot model is recovered. In addition, the efficiency and COP bounds of different kinds of actual heat engines and refrigerators have also been analyzed. This paper may provide practical insight for designing and operating actual heat engines and refrigerators.

Syphilis Among U.S.-Bound Refugees, 2009-2013.

PubMed

Nyangoma, E N; Olson, C K; Painter, J A; Posey, D L; Stauffer, W M; Naughton, M; Zhou, W; Kamb, M; Benoit, S R

2017-08-01

U.S. immigration regulations require clinical and serologic screening for syphilis for all U.S.-bound refugees 15 years of age and older. We reviewed syphilis screening results for all U.S.-bound refugees from January 1, 2009 through December 31, 2013. We calculated age-adjusted prevalence by region and nationality and assessed factors associated with syphilis seropositivity using multivariable log binomial regression models. Among 233,446 refugees, we identified 874 syphilis cases (373 cases per 100,000 refugees). The highest overall age-adjusted prevalence rates of syphilis seropositivity were observed among refugees from Africa (1340 cases per 100,000), followed by East Asia and the Pacific (397 cases per 100,000). In most regions, male sex, increasing age, and living in non-refugee camp settings were associated with syphilis seropositivity. Future analysis of test results, stage of infection, and treatment delivery overseas is warranted in order to determine the extent of transmission risk and benefits of the screening program.

Performances of One-Round Walks in Linear Congestion Games

NASA Astrophysics Data System (ADS)

Bilò, Vittorio; Fanelli, Angelo; Flammini, Michele; Moscardelli, Luca

We investigate the approximation ratio of the solutions achieved after a one-round walk in linear congestion games. We consider the social functions {Stextsc{um}}, defined as the sum of the players’ costs, and {Mtextsc{ax}}, defined as the maximum cost per player, as a measure of the quality of a given solution. For the social function {Stextsc{um}} and one-round walks starting from the empty strategy profile, we close the gap between the upper bound of 2+sqrt{5}≈ 4.24 given in [8] and the lower bound of 4 derived in [4] by providing a matching lower bound whose construction and analysis require non-trivial arguments. For the social function {Mtextsc{ax}}, for which, to the best of our knowledge, no results were known prior to this work, we show an approximation ratio of Θ(sqrt[4]{n^3}) (resp. Θ(nsqrt{n})), where n is the number of players, for one-round walks starting from the empty (resp. an arbitrary) strategy profile.

An upper bound on the radius of a highly electrically conducting lunar core

NASA Technical Reports Server (NTRS)

Hobbs, B. A.; Hood, L. L.; Herbert, F.; Sonett, C. P.

1983-01-01

Parker's (1980) nonlinear inverse theory for the electromagnetic sounding problem is converted to a form suitable for analysis of lunar day-side transfer function data by: (1) transforming the solution in plane geometry to that in spherical geometry; and (2) transforming the theoretical lunar transfer function in the dipole limit to an apparent resistivity function. The theory is applied to the revised lunar transfer function data set of Hood et al. (1982), which extends in frequency from 10 to the -5th to 10 to the -3rd Hz. On the assumption that an iron-rich lunar core, whether molten or solid, can be represented by a perfect conductor at the minimum sampled frequency, an upper bound of 435 km on the maximum radius of such a core is calculated. This bound is somewhat larger than values of 360-375 km previously estimated from the same data set via forward model calculations because the prior work did not consider all possible mantle conductivity functions.

Determination of advanced glycation endproducts by LC-MS/MS in raw and roasted almonds (Prunus dulcis).

PubMed

Zhang, Gong; Huang, Guangwei; Xiao, Lu; Mitchell, Alyson E

2011-11-23

A sensitive and reliable LC-(ESI)MS/MS method was developed and validated for the simultaneous analysis of five common advanced glycation endproducts (AGEs) after enzymatic digestion in raw and roasted almonds. AGEs included carboxymethyl-lysine (CML), carboxyethyl-lysine (CEL), pyralline (Pyr), argpyrimidine (Arg-p), and pentosidine (Pento-s). This method allows accurate quantitation of free and AGE-protein adducts of target AGEs. Results indicate that CML and CEL are found in both raw and roasted almonds. Pyr was identified for the first time in roasted almonds and accounted for 64.4% of free plus bound measured AGEs. Arg-p and Pento-s were below the limit of detection in all almond samples tested. Free AGEs accounted for 1.3-26.8% of free plus bound measured AGEs, indicating that protein-bound forms predominate. The roasting process significantly increased CML, CEL, and Pyr formation, but no significant correlation was observed between these AGEs and roasting temperature.

On the global dynamics of a chronic myelogenous leukemia model

NASA Astrophysics Data System (ADS)

Krishchenko, Alexander P.; Starkov, Konstantin E.

2016-04-01

In this paper we analyze some features of global dynamics of a three-dimensional chronic myelogenous leukemia (CML) model with the help of the stability analysis and the localization method of compact invariant sets. The behavior of CML model is defined by concentrations of three cellpopulations circulating in the blood: naive T cells, effector T cells specific to CML and CML cancer cells. We prove that the dynamics of the CML system around the tumor-free equilibrium point is unstable. Further, we compute ultimate upper bounds for all three cell populations and provide the existence conditions of the positively invariant polytope. One ultimate lower bound is obtained as well. Moreover, we describe the iterative localization procedure for refining localization bounds; this procedure is based on cyclic using of localizing functions. Applying this procedure we obtain conditions under which the internal tumor equilibrium point is globally asymptotically stable. Our theoretical analyses are supplied by results of the numerical simulation.

Crystallization and preliminary X-ray analysis of membrane-bound pyrophosphatases.

PubMed

Kellosalo, Juho; Kajander, Tommi; Honkanen, Riina; Goldman, Adrian

2013-02-01

Membrane-bound pyrophosphatases (M-PPases) are enzymes that enhance the survival of plants, protozoans and prokaryotes in energy constraining stress conditions. These proteins use pyrophosphate, a waste product of cellular metabolism, as an energy source for sodium or proton pumping. To study the structure and function of these enzymes we have crystallized two membrane-bound pyrophosphatases recombinantly produced in Saccharomyces cerevisae: the sodium pumping enzyme of Thermotoga maritima (TmPPase) and the proton pumping enzyme of Pyrobaculum aerophilum (PaPPase). Extensive crystal optimization has allowed us to grow crystals of TmPPase that diffract to a resolution of 2.6 Å. The decisive step in this optimization was in-column detergent exchange during the two-step purification procedure. Dodecyl maltoside was used for high temperature solubilization of TmPPase and then exchanged to a series of different detergents. After extensive screening, the new detergent, octyl glucose neopentyl glycol, was found to be the optimal for TmPPase but not PaPPase.

A linear programming approach to max-sum problem: a review.

PubMed

Werner, Tomás

2007-07-01

The max-sum labeling problem, defined as maximizing a sum of binary (i.e., pairwise) functions of discrete variables, is a general NP-hard optimization problem with many applications, such as computing the MAP configuration of a Markov random field. We review a not widely known approach to the problem, developed by Ukrainian researchers Schlesinger et al. in 1976, and show how it contributes to recent results, most importantly, those on the convex combination of trees and tree-reweighted max-product. In particular, we review Schlesinger et al.'s upper bound on the max-sum criterion, its minimization by equivalent transformations, its relation to the constraint satisfaction problem, the fact that this minimization is dual to a linear programming relaxation of the original problem, and the three kinds of consistency necessary for optimality of the upper bound. We revisit problems with Boolean variables and supermodular problems. We describe two algorithms for decreasing the upper bound. We present an example application for structural image analysis.

Generalized Scalar-on-Image Regression Models via Total Variation.

PubMed

Wang, Xiao; Zhu, Hongtu

2017-01-01

The use of imaging markers to predict clinical outcomes can have a great impact in public health. The aim of this paper is to develop a class of generalized scalar-on-image regression models via total variation (GSIRM-TV), in the sense of generalized linear models, for scalar response and imaging predictor with the presence of scalar covariates. A key novelty of GSIRM-TV is that it is assumed that the slope function (or image) of GSIRM-TV belongs to the space of bounded total variation in order to explicitly account for the piecewise smooth nature of most imaging data. We develop an efficient penalized total variation optimization to estimate the unknown slope function and other parameters. We also establish nonasymptotic error bounds on the excess risk. These bounds are explicitly specified in terms of sample size, image size, and image smoothness. Our simulations demonstrate a superior performance of GSIRM-TV against many existing approaches. We apply GSIRM-TV to the analysis of hippocampus data obtained from the Alzheimers Disease Neuroimaging Initiative (ADNI) dataset.

Silica-bound copper(II)triazacyclononane as a phosphate esterase: effect of linker length and surface hydrophobicity.

PubMed

Bodsgard, Brett R; Clark, Robert W; Ehrbar, Anthony W; Burstyn, Judith N

2009-04-07

A series of silica-bound Cu(ii) triazacyclononane materials was prepared to study the effect of linker length and surface hydrophobicity on the hydrolysis of phosphate esters. The general synthetic approach for these heterogeneous reagents was rhodium-catalyzed hydrosilation between an alkenyl-modified triazacyclononane and hydride-modified silica followed by metallation with a Cu(ii) salt. Elemental analysis confirmed that organic functionalization of the silica gel was successful and provided an estimate of the surface concentration of triazacyclononane. EPR spectra were consistent with square pyramidal Cu(ii), indicating that Cu(ii) ions were bound to the immobilized macrocycles. The hydrolytic efficacies of these heterogeneous reagents were tested with bis(p-nitrophenyl)phosphate (BNPP) and diethyl 4-nitrophenyl phosphate (paraoxon). The agent that performed best was an octyl-linked, propanol-blocked material. This material had the most hydrophilic surface and the most accessible active site, achieving a rate maximum on par with the other materials, but in fewer cycles and without an induction period.

Robust Head-Pose Estimation Based on Partially-Latent Mixture of Linear Regressions.

PubMed

Drouard, Vincent; Horaud, Radu; Deleforge, Antoine; Ba, Sileye; Evangelidis, Georgios

2017-03-01

Head-pose estimation has many applications, such as social event analysis, human-robot and human-computer interaction, driving assistance, and so forth. Head-pose estimation is challenging, because it must cope with changing illumination conditions, variabilities in face orientation and in appearance, partial occlusions of facial landmarks, as well as bounding-box-to-face alignment errors. We propose to use a mixture of linear regressions with partially-latent output. This regression method learns to map high-dimensional feature vectors (extracted from bounding boxes of faces) onto the joint space of head-pose angles and bounding-box shifts, such that they are robustly predicted in the presence of unobservable phenomena. We describe in detail the mapping method that combines the merits of unsupervised manifold learning techniques and of mixtures of regressions. We validate our method with three publicly available data sets and we thoroughly benchmark four variants of the proposed algorithm with several state-of-the-art head-pose estimation methods.

Lattice QCD evidence that the Λ(1405) resonance is an antikaon-nucleon molecule.

PubMed

Hall, Jonathan M M; Kamleh, Waseem; Leinweber, Derek B; Menadue, Benjamin J; Owen, Benjamin J; Thomas, Anthony W; Young, Ross D

2015-04-03

For almost 50 years the structure of the Λ(1405) resonance has been a mystery. Even though it contains a heavy strange quark and has odd parity, its mass is lower than any other excited spin-1/2 baryon. Dalitz and co-workers speculated that it might be a molecular state of an antikaon bound to a nucleon. However, a standard quark-model structure is also admissible. Although the intervening years have seen considerable effort, there has been no convincing resolution. Here we present a new lattice QCD simulation showing that the strange magnetic form factor of the Λ(1405) vanishes, signaling the formation of an antikaon-nucleon molecule. Together with a Hamiltonian effective-field-theory model analysis of the lattice QCD energy levels, this strongly suggests that the structure is dominated by a bound antikaon-nucleon component. This result clarifies that not all states occurring in nature can be described within a simple quark model framework and points to the existence of exotic molecular meson-nucleon bound states.

White dwarfs and revelations

NASA Astrophysics Data System (ADS)

Saltas, Ippocratis D.; Sawicki, Ignacy; Lopes, Ilidio

2018-05-01

We use the most recent, complete and independent measurements of masses and radii of white dwarfs in binaries to bound the class of non-trivial modified gravity theories, viable after GW170817/GRB170817, using its effect on the mass-radius relation of the stars. We show that the uncertainty in the latest data is sufficiently small that residual evolutionary effects, most notably the effect of core composition, finite temperature and envelope structure, must now accounted for if correct conclusions about the nature of gravity are to be made. We model corrections resulting from finite temperature and envelopes to a base Hamada-Salpeter cold equation of state and derive consistent bounds on the possible modifications of gravity in the stars' interiors, finding that the parameter quantifying the strength of the modification Y< 0.14 at 95% confidence, an improvement of a factor of three with respect to previous bounds. Finally, our analysis reveals some fundamental degeneracies between the theory of gravity and the precise chemical makeup of white dwarfs.

A robust adaptive observer for a class of singular nonlinear uncertain systems

NASA Astrophysics Data System (ADS)

Arefinia, Elaheh; Talebi, Heidar Ali; Doustmohammadi, Ali

2017-05-01

This paper proposes a robust adaptive observer for a class of singular nonlinear non-autonomous uncertain systems with unstructured unknown system and derivative matrices, and unknown bounded nonlinearities. Unlike many existing observers, no strong assumption such as Lipschitz condition is imposed on the recommended system. An augmented system is constructed, and the unknown bounds are calculated online using adaptive bounding technique. Considering the continuous nonlinear gain removes the chattering which may appear in practical applications such as analysis of electrical circuits and estimation of interaction force in beating heart robotic-assisted surgery. Moreover, a simple yet precise structure is attained which is easy to implement in many systems with significant uncertainties. The existence conditions of the standard form observer are obtained in terms of linear matrix inequality and the constrained generalised Sylvester's equations, and global stability is ensured. Finally, simulation results are obtained to evaluate the performance of the proposed estimator and demonstrate the effectiveness of the developed scheme.

Radiation characteristics of Al wire arrays on Z*

NASA Astrophysics Data System (ADS)

Coverdale, C. A.; Ampleford, D. J.; Jones, B.; Cuneo, M. E.; Hansen, S.; Jennings, C. A.; Moore, N.; Jones, S. C.; Deeney, C.

2011-10-01

Analysis of mixed material nested wire array experiments at Z have shown that the inner wire array dominates the hottest regions of the stagnated z pinch. In those experiments, substantial free-bound continuum radiation was observed when Al was fielded on the inner wire array. Experiments with Al (5% Mg) on both wire arrays have also been fielded, with variations in the free-bound continuum observed. These variations appear to be tied to the initial mass and diameter of the wire array. The results presented here will investigate the trends in the measured emission (Al and Mg K-shell and free-bound continuum) and will compare the measured output to more recent Al wire array experimental results on the refurbished Z accelerator. *Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. +current address: NNSA/DOE Headquarters, Washington D.C.

Multiple layers of transcriptional regulation by PLZF in NKT-cell development.

PubMed

Mao, Ai-Ping; Constantinides, Michael G; Mathew, Rebecca; Zuo, Zhixiang; Chen, Xiaoting; Weirauch, Matthew T; Bendelac, Albert

2016-07-05

The transcription factor PLZF [promyelocytic leukemia zinc finger, encoded by zinc finger BTB domain containing 16 (Zbtb16)] is induced during the development of innate and innate-like lymphocytes to direct their acquisition of a T-helper effector program, but the molecular mechanisms involved are poorly understood. Using biotinylation-based ChIP-seq and microarray analysis of both natural killer T (NKT) cells and PLZF-transgenic thymocytes, we identified several layers of regulation of the innate-like NKT effector program. First, PLZF bound and regulated genes encoding cytokine receptors as well as homing and adhesion receptors; second, PLZF bound and activated T-helper-specific transcription factor genes that in turn control T-helper-specific programs; finally, PLZF bound and suppressed the transcription of Bach2, a potent general repressor of effector differentiation in naive T cells. These findings reveal the multilayered architecture of the transcriptional program recruited by PLZF and elucidate how a single transcription factor can drive the developmental acquisition of a broad effector program.

The DOT1L inhibitor pinometostat reduces H3K79 methylation and has modest clinical activity in adult acute leukemia.

PubMed

Stein, Eytan M; Garcia-Manero, Guillermo; Rizzieri, David A; Tibes, Raoul; Berdeja, Jesus G; Savona, Michael R; Jongen-Lavrenic, Mojca; Altman, Jessica K; Thomson, Blythe; Blakemore, Stephen J; Daigle, Scott R; Waters, Nigel J; Suttle, A Benjamin; Clawson, Alicia; Pollock, Roy; Krivtsov, Andrei; Armstrong, Scott A; DiMartino, Jorge; Hedrick, Eric; Löwenberg, Bob; Tallman, Martin S

2018-05-03

Pinometostat (EPZ-5676) is a first-in-class, small-molecule inhibitor of the histone methyltransferase DOT1L. In this phase 1 study, pinometostat was evaluated for safety and efficacy in adult patients with advanced acute leukemias, particularly those involving MLL rearrangements ( MLL-r ) resulting from 11q23 translocations. Fifty-one patients were enrolled into 6 dose escalation cohorts (n=26) and 2 expansion cohorts (n=25) at pinometostat doses of 54 and 90 mg/m 2 /day by continuous intravenous infusion in 28-day cycles. As a maximum tolerated dose was not established in the dose escalation phase, the expansion doses were selected based upon safety and clinical response data combined with pharmacodynamic evidence of reduction in H3K79 methylation during dose escalation. Across all dose levels, plasma pinometostat concentrations increased in an approximately dose-proportional fashion, reaching an apparent steady state by 4-8 hours after infusion, and rapidly decreased following treatment cessation. The most common adverse events, of any cause, were fatigue (39%), nausea (39%), constipation (35%), and febrile neutropenia (35%). Overall, 2 patients, both with t(11;19), experienced complete remissions at 54 mg/m 2 /day by continuous intravenous infusion, demonstrating proof of concept for delivering clinically meaningful responses through targeting DOT1L using single agent pinometostat in MLL-r leukemia patients. Administration of pinometostat was generally safe with the maximum tolerated dose not being reached, although efficacy as a single agent was modest. This study demonstrates the therapeutic potential for targeting DOT1L in MLL-r leukemia and lays the groundwork for future combination approaches in this patient population. This clinical trial is registered at www.clinicaltrials.gov as no. NCT01684150. Copyright © 2018 American Society of Hematology.

Molecular Dynamics Simulations of DNA-Free and DNA-Bound TAL Effectors

PubMed Central

Wan, Hua; Hu, Jian-ping; Li, Kang-shun; Tian, Xu-hong; Chang, Shan

2013-01-01

TAL (transcriptional activator-like) effectors (TALEs) are DNA-binding proteins, containing a modular central domain that recognizes specific DNA sequences. Recently, the crystallographic studies of TALEs revealed the structure of DNA-recognition domain. In this article, molecular dynamics (MD) simulations are employed to study two crystal structures of an 11.5-repeat TALE, in the presence and absence of DNA, respectively. The simulated results indicate that the specific binding of RVDs (repeat-variable diresidues) with DNA leads to the markedly reduced fluctuations of tandem repeats, especially at the two ends. In the DNA-bound TALE system, the base-specific interaction is formed mainly by the residue at position 13 within a TAL repeat. Tandem repeats with weak RVDs are unfavorable for the TALE-DNA binding. These observations are consistent with experimental studies. By using principal component analysis (PCA), the dominant motions are open-close movements between the two ends of the superhelical structure in both DNA-free and DNA-bound TALE systems. The open-close movements are found to be critical for the recognition and binding of TALE-DNA based on the analysis of free energy landscape (FEL). The conformational analysis of DNA indicates that the 5′ end of DNA target sequence has more remarkable structural deformability than the other sites. Meanwhile, the conformational change of DNA is likely associated with the specific interaction of TALE-DNA. We further suggest that the arrangement of N-terminal repeats with strong RVDs may help in the design of efficient TALEs. This study provides some new insights into the understanding of the TALE-DNA recognition mechanism. PMID:24130757

The Free Energy Landscape of Small Molecule Unbinding

PubMed Central

Huang, Danzhi; Caflisch, Amedeo

2011-01-01

The spontaneous dissociation of six small ligands from the active site of FKBP (the FK506 binding protein) is investigated by explicit water molecular dynamics simulations and network analysis. The ligands have between four (dimethylsulphoxide) and eleven (5-diethylamino-2-pentanone) non-hydrogen atoms, and an affinity for FKBP ranging from 20 to 0.2 mM. The conformations of the FKBP/ligand complex saved along multiple trajectories (50 runs at 310 K for each ligand) are grouped according to a set of intermolecular distances into nodes of a network, and the direct transitions between them are the links. The network analysis reveals that the bound state consists of several subbasins, i.e., binding modes characterized by distinct intermolecular hydrogen bonds and hydrophobic contacts. The dissociation kinetics show a simple (i.e., single-exponential) time dependence because the unbinding barrier is much higher than the barriers between subbasins in the bound state. The unbinding transition state is made up of heterogeneous positions and orientations of the ligand in the FKBP active site, which correspond to multiple pathways of dissociation. For the six small ligands of FKBP, the weaker the binding affinity the closer to the bound state (along the intermolecular distance) are the transition state structures, which is a new manifestation of Hammond behavior. Experimental approaches to the study of fragment binding to proteins have limitations in temporal and spatial resolution. Our network analysis of the unbinding simulations of small inhibitors from an enzyme paints a clear picture of the free energy landscape (both thermodynamics and kinetics) of ligand unbinding. PMID:21390201

High-yield expression and purification of isotopically labeled cytochrome P450 monooxygenases for solid-state NMR spectroscopy

PubMed Central

Rupasinghe, Sanjeewa G.; Duan, Hui; Frericks Schmidt, Heather L.; Berthold, Deborah A.; Rienstra, Chad M.; Schuler, Mary A.

2008-01-01

Cytochrome P450 monooxygenases (P450s), which represent the major group of drug metabolizing enzymes in humans, also catalyze important synthetic and detoxicative reactions in insects, plants and many microbes. Flexibilities in their catalytic sites and membrane associations are thought to play central roles in substrate binding and catalytic specificity. To date, E. coli expression strategies for structural analysis of eukaryotic membrane-bound P450s by X-ray crystallography have necessitated full or partial removal of their N-terminal signal anchor domain (SAD) and, often, replacement of residues more peripherally associated with the membrane (such as the F-G loop region). Even with these modifications, investigations of P450 structural flexibility remain challenging with multiple single crystal conditions needed to identify spatial variations between substrate-free and different substrate-bound forms. To overcome these limitations, we have developed methods for the efficient expression of 13C- and 15N-labeled P450s and analysis of their structures by magic-angle spinning solid-state NMR (SSNMR) spectroscopy. In the presence of co-expressed GroEL and GroES chaperones, full-length (53 kDa) Arabidopsis 13C,15N-labeled CYP98A3 is expressed at yields of 2–4 mg per liter of minimal media without the necessity of generating side chain modifications or N-terminal deletions. Precipitated CYP98A3 generates high quality SSNMR spectra consistent with a homogeneous, folded protein. These data highlight the potential of these methodologies to contribute to the structural analysis of membrane-bound proteins. PMID:18005930

The free energy landscape of small molecule unbinding.

PubMed

Huang, Danzhi; Caflisch, Amedeo

2011-02-01

The spontaneous dissociation of six small ligands from the active site of FKBP (the FK506 binding protein) is investigated by explicit water molecular dynamics simulations and network analysis. The ligands have between four (dimethylsulphoxide) and eleven (5-diethylamino-2-pentanone) non-hydrogen atoms, and an affinity for FKBP ranging from 20 to 0.2 mM. The conformations of the FKBP/ligand complex saved along multiple trajectories (50 runs at 310 K for each ligand) are grouped according to a set of intermolecular distances into nodes of a network, and the direct transitions between them are the links. The network analysis reveals that the bound state consists of several subbasins, i.e., binding modes characterized by distinct intermolecular hydrogen bonds and hydrophobic contacts. The dissociation kinetics show a simple (i.e., single-exponential) time dependence because the unbinding barrier is much higher than the barriers between subbasins in the bound state. The unbinding transition state is made up of heterogeneous positions and orientations of the ligand in the FKBP active site, which correspond to multiple pathways of dissociation. For the six small ligands of FKBP, the weaker the binding affinity the closer to the bound state (along the intermolecular distance) are the transition state structures, which is a new manifestation of Hammond behavior. Experimental approaches to the study of fragment binding to proteins have limitations in temporal and spatial resolution. Our network analysis of the unbinding simulations of small inhibitors from an enzyme paints a clear picture of the free energy landscape (both thermodynamics and kinetics) of ligand unbinding.

Biogeochemical stability and reactions of iron-organic carbon complexes

NASA Astrophysics Data System (ADS)

Yang, Y.; Adhikari, D.; Zhao, Q.; Dunham-Cheatham, S.; Das, K.; Mejia, J.; Huang, R.; Wang, X.; Poulson, S.; Tang, Y.; Obrist, D.; Roden, E. E.

2017-12-01

Our core hypothesis is that the degradation rate of soil organic carbon (OC) is governed by the amount of iron (Fe)-bound OC, and the ability of microbial communities to utilize OC as an energy source and electron shuttle for Fe reduction that in turn stimulates reductive release of Fe-bound labile dissolved OC. This hypothesis is being systematically evaluated using model Fe-OC complexes, natural soils, and microcosm system. We found that hematite-bound aliphatic C was more resistant to reduction release, although hematite preferred to sorb more aromatic C. Resistance to reductive release represents a new mechanism that aliphatic soil OC was stabilized by association with Fe oxide. In other studies, pyrogenic OC was found to facilitate the reduction of hematite, by enhancing extracellular electron transport and sorbing Fe(II). For ferrihydrite-OC co-precipitates, the reduction of Fe and release of OC was closely governed by the C/Fe ratio in the system. Based on the XPS, XANES and XAFS analysis, the transformation of Fe speciation was heterogeneous, depending on the conformation and composition of Fe-OC complexes. For natural soils, we investigated the quantity, characteristics, and reactivity of Fe-bound OC in soils collected from 14 forests in the United States. Fe-bound OC contributed up to 57.8% of total OC in the forest soils. Under the anaerobic conditions, the reduction of Fe was positively correlated to the electron accepting capacity of OC. Our findings highlight the closely coupled dynamics of Fe and OC, with broad implications on the turnover of OC and biogeochemical cycles of Fe.

Multiscale Modelling for investigating single molecule effects on the mechanics of actin filaments

NASA Astrophysics Data System (ADS)

A, Deriu Marco; C, Bidone Tamara; Laura, Carbone; Cristina, Bignardi; M, Montevecchi Franco; Umberto, Morbiducci

2011-12-01

This work presents a preliminary multiscale computational investigation of the effects of nucleotides and cations on the mechanics of actin filaments (F-actin). At the molecular level, Molecular Dynamics (MD) simulations are employed to characterize the rearrangements of the actin monomers (G-actin) in terms of secondary structures evolution in physiological conditions. At the mesoscale level, a coarse grain (CG) procedure is adopted where each monomer is represented by means of Elastic Network Modeling (ENM) technique. At the macroscale level, actin filaments up to hundreds of nanometers are assumed as isotropic and elastic beams and characterized via Rotation Translation Block (RTB) analysis. F-actin bound to adenosine triphosphate (ATP) shows a persistence length around 5 μm, while actin filaments bound to adenosine diphosphate (ADP) have a persistence length of about 3 μm. With magnesium bound to the high affinity binding site of G-actin, the persistence length of F-actin decreases to about 2 μm only in the ADP-bound form of the filament, while the same ion has no effects, in terms of stiffness variation, on the ATP-bound form of F-actin. The molecular mechanisms behind these changes in flexibility are herein elucidated. Thus, this study allows to analyze how the local binding of cations and nucleotides on G-actin induce molecular rearrangements that transmit to the overall F-actin, characterizing shifts of mechanical properties, that can be related with physiological and pathological cellular phenomena, as cell migration and spreading. Further, this study provides the basis for upcoming investigating of network and cellular remodelling at higher length scales.

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

Lewis, John R.; Brooks, Dusty Marie

In pressurized water reactors, the prevention, detection, and repair of cracks within dissimilar metal welds is essential to ensure proper plant functionality and safety. Weld residual stresses, which are difficult to model and cannot be directly measured, contribute to the formation and growth of cracks due to primary water stress corrosion cracking. Additionally, the uncertainty in weld residual stress measurements and modeling predictions is not well understood, further complicating the prediction of crack evolution. The purpose of this document is to develop methodology to quantify the uncertainty associated with weld residual stress that can be applied to modeling predictions andmore » experimental measurements. Ultimately, the results can be used to assess the current state of uncertainty and to build confidence in both modeling and experimental procedures. The methodology consists of statistically modeling the variation in the weld residual stress profiles using functional data analysis techniques. Uncertainty is quantified using statistical bounds (e.g. confidence and tolerance bounds) constructed with a semi-parametric bootstrap procedure. Such bounds describe the range in which quantities of interest, such as means, are expected to lie as evidenced by the data. The methodology is extended to provide direct comparisons between experimental measurements and modeling predictions by constructing statistical confidence bounds for the average difference between the two quantities. The statistical bounds on the average difference can be used to assess the level of agreement between measurements and predictions. The methodology is applied to experimental measurements of residual stress obtained using two strain relief measurement methods and predictions from seven finite element models developed by different organizations during a round robin study.« less

Evidence for the Existence of One Antenna-Associated, Lipid-Dissolved and Two Protein-Bound Pools of Diadinoxanthin Cycle Pigments in Diatoms[C][W

PubMed Central

Lepetit, Bernard; Volke, Daniela; Gilbert, Matthias; Wilhelm, Christian; Goss, Reimund

2010-01-01

We studied the localization of diadinoxanthin cycle pigments in the diatoms Cyclotella meneghiniana and Phaeodactylum tricornutum. Isolation of pigment protein complexes revealed that the majority of high-light-synthesized diadinoxanthin and diatoxanthin is associated with the fucoxanthin chlorophyll protein (FCP) complexes. The characterization of intact cells, thylakoid membranes, and pigment protein complexes by absorption and low-temperature fluorescence spectroscopy showed that the FCPs contain certain amounts of protein-bound diadinoxanthin cycle pigments, which are not significantly different in high-light and low-light cultures. The largest part of high-light-formed diadinoxanthin cycle pigments, however, is not bound to antenna apoproteins but located in a lipid shield around the FCPs, which is copurified with the complexes. This lipid shield is primarily composed of the thylakoid membrane lipid monogalactosyldiacylglycerol. We also show that the photosystem I (PSI) fraction contains a tightly connected FCP complex that is enriched in protein-bound diadinoxanthin cycle pigments. The peripheral FCP and the FCP associated with PSI are composed of different apoproteins. Tandem mass spectrometry analysis revealed that the peripheral FCP is composed mainly of the light-harvesting complex protein Lhcf and also significant amounts of Lhcr. The PSI fraction, on the other hand, shows an enrichment of Lhcr proteins, which are thus responsible for the diadinoxanthin cycle pigment binding. The existence of lipid-dissolved and protein-bound diadinoxanthin cycle pigments in the peripheral antenna and in PSI is discussed with respect to different specific functions of the xanthophylls. PMID:20935178

Single-molecule FRET reveals a corkscrew RNA structure for the polymerase-bound influenza virus promoter.

PubMed

Tomescu, Alexandra I; Robb, Nicole C; Hengrung, Narin; Fodor, Ervin; Kapanidis, Achillefs N

2014-08-12

The influenza virus is a major human and animal pathogen responsible for seasonal epidemics and occasional pandemics. The genome of the influenza A virus comprises eight segments of single-stranded, negative-sense RNA with highly conserved 5' and 3' termini. These termini interact to form a double-stranded promoter structure that is recognized and bound by the viral RNA-dependent RNA polymerase (RNAP); however, no 3D structural information for the influenza polymerase-bound promoter exists. Functional studies have led to the proposal of several 2D models for the secondary structure of the bound promoter, including a corkscrew model in which the 5' and 3' termini form short hairpins. We have taken advantage of an insect-cell system to prepare large amounts of active recombinant influenza virus RNAP, and used this to develop a highly sensitive single-molecule FRET assay to measure distances between fluorescent dyes located on the promoter and map its structure both with and without the polymerase bound. These advances enabled the direct analysis of the influenza promoter structure in complex with the viral RNAP, and provided 3D structural information that is in agreement with the corkscrew model for the influenza virus promoter RNA. Our data provide insights into the mechanisms of promoter binding by the influenza RNAP and have implications for the understanding of the regulatory mechanisms involved in the transcription of viral genes and replication of the viral RNA genome. In addition, the simplicity of this system should translate readily to the study of any virus polymerase-promoter interaction.

Single-molecule FRET reveals a corkscrew RNA structure for the polymerase-bound influenza virus promoter

PubMed Central

Tomescu, Alexandra I.; Robb, Nicole C.; Hengrung, Narin; Fodor, Ervin; Kapanidis, Achillefs N.

2014-01-01

The influenza virus is a major human and animal pathogen responsible for seasonal epidemics and occasional pandemics. The genome of the influenza A virus comprises eight segments of single-stranded, negative-sense RNA with highly conserved 5′ and 3′ termini. These termini interact to form a double-stranded promoter structure that is recognized and bound by the viral RNA-dependent RNA polymerase (RNAP); however, no 3D structural information for the influenza polymerase-bound promoter exists. Functional studies have led to the proposal of several 2D models for the secondary structure of the bound promoter, including a corkscrew model in which the 5′ and 3′ termini form short hairpins. We have taken advantage of an insect-cell system to prepare large amounts of active recombinant influenza virus RNAP, and used this to develop a highly sensitive single-molecule FRET assay to measure distances between fluorescent dyes located on the promoter and map its structure both with and without the polymerase bound. These advances enabled the direct analysis of the influenza promoter structure in complex with the viral RNAP, and provided 3D structural information that is in agreement with the corkscrew model for the influenza virus promoter RNA. Our data provide insights into the mechanisms of promoter binding by the influenza RNAP and have implications for the understanding of the regulatory mechanisms involved in the transcription of viral genes and replication of the viral RNA genome. In addition, the simplicity of this system should translate readily to the study of any virus polymerase–promoter interaction. PMID:25071209

ANALYSIS OF PARTICULATE BOUND NUTRIENTS IN URBAN STORMWATER

EPA Science Inventory

Nutrients are important players in the degradation of waterbodies because they are often the elements that limit primary productivity and, hence, are the key factors controlling eutrophication. Eutrophication causes unsightly algal blooms leading to oxygen depletion, stress on o...

Continuous-flow centrifugation to collect suspended sediment for chemical analysis

USGS Publications Warehouse

Conn, Kathleen E.; Dinicola, Richard S.; Black, Robert W.; Cox, Stephen E.; Sheibley, Richard W.; Foreman, James R.; Senter, Craig A.; Peterson, Norman T.

2016-12-22

Recent advances in suspended-sediment monitoring tools and surrogate technologies have greatly improved the ability to quantify suspended-sediment concentrations and to estimate daily, seasonal, and annual suspended-sediment fluxes from rivers to coastal waters. However, little is known about the chemical composition of suspended sediment, and how it may vary spatially between water bodies and temporally within a single system owing to climate, seasonality, land use, and other natural and anthropogenic drivers. Many water-quality contaminants, such as organic and inorganic chemicals, nutrients, and pathogens, preferentially partition in sediment rather than water. Suspended sediment-bound chemical concentrations may be undetected during analysis of unfiltered water samples, owing to small water sample volumes and analytical limitations. Quantification of suspended sediment‑bound chemical concentrations is needed to improve estimates of total chemical concentrations, chemical fluxes, and exposure levels of aquatic organisms and humans in receiving environments. Despite these needs, few studies or monitoring programs measure the chemical composition of suspended sediment, largely owing to the difficulty in consistently obtaining samples of sufficient quality and quantity for laboratory analysis.A field protocol is described here utilizing continuous‑flow centrifugation for the collection of suspended sediment for chemical analysis. The centrifuge used for development of this method is small, lightweight, and portable for the field applications described in this protocol. Project scoping considerations, deployment of equipment and system layout options, and results from various field and laboratory quality control experiments are described. The testing confirmed the applicability of the protocol for the determination of many inorganic and organic chemicals sorbed on suspended sediment, including metals, pesticides, polycyclic aromatic hydrocarbons, and polychlorinated biphenyls. The particle-size distribution of the captured sediment changes to a more fine-grained sample during centrifugation, and the necessity to account for this change when extrapolating chemical concentrations on the centrifuged sediment sample to the environmental water system is discussed.The data produced using this method will help eliminate a data gap of suspended sediment-bound chemical concentrations, and will support management decisions, such as chemical source-control efforts or in-stream restoration activities. When coupled with streamflow and sediment flux data, it will improve estimates of riverine chemical fluxes, and will aid in assessing the importance and impacts of suspended sediment-bound chemicals to downstream freshwater and coastal marine ecosystems.

Covalent Binding of Flavins to RnfG and RnfD in the Rnf Complex from Vibrio cholerae

PubMed Central

Backiel, Julianne; Juárez, Oscar; Zagorevski, Dmitri V.; Wang, Zhenyu; Nilges, Mark J.; Barquera, Blanca

2009-01-01

Enzymes of the Rnf family are believed to be bacterial redox-driven ion pumps, coupling an oxidoreduction process to the translocation of Na+ across the cell membrane. Here we show for the first time that Rnf is a flavoprotein, with FMN covalently bound to threonine-175 in RnfG and a second flavin bound to threonine-187 in RnfD. Rnf subunits D and G are homologous to subunits B and C of Na+-NQR, respectively. Each of these Na+-NQR subunits includes a conserved S(T)GAT motif, with FMN covalently bound to the final threonine. RnfD and RnfG both contain the same motif, suggesting that they bind flavins in a similar way. In order to investigate this, the genes for RnfD and RnfG from Vibrio cholerae were cloned and expressed individually in that organism. In both cases the produced protein fluoresced under UV illumination on an SDS gel, further indicating the presence of flavin. However, analysis of the mutants RnfG-T175L, RnfD-T278L, and RnfD-T187V showed that RnfG-T175 and RnfD-T187 are the likely flavin ligands. This indicates that, in the case of RnfD, the flavin is bound, not to the SGAT sequence but to the final residues of a TMAT sequence, a novel variant of the flavin binding motif. In the case of RnfG, flavin analysis, followed by MALDI-TOF-TOF mass spectrometry, showed that an FMN is covalently attached to threonine-175, the final threonine of the S(T)GAT sequence. Studies by visible, EPR, and ENDOR spectroscopy showed that, upon partial reduction, the isolated RnfG produces a neutral semiquinone intermediate. The semiquinone species disappeared upon full reduction and was not observed in the denatured protein. A topological analysis combining reporter protein fusion and computer predictions indicated that the flavins in RnfG and RnfD are localized in the periplasmic space. In contrast, in NqrC and NqrB the flavins are located in a cytoplasmic loop. This topological analysis suggests that there may be mechanistic differences between the Rnf and Na+-NQR complexes. PMID:18831535

Interstage Flammability Analysis Approach

NASA Technical Reports Server (NTRS)

Little, Jeffrey K.; Eppard, William M.

2011-01-01

The Interstage of the Ares I launch platform houses several key components which are on standby during First Stage operation: the Reaction Control System (ReCS), the Upper Stage (US) Thrust Vector Control (TVC) and the J-2X with the Main Propulsion System (MPS) propellant feed system. Therefore potentially dangerous leaks of propellants could develop. The Interstage leaks analysis addresses the concerns of localized mixing of hydrogen and oxygen gases to produce deflagration zones in the Interstage of the Ares I launch vehicle during First Stage operation. This report details the approach taken to accomplish the analysis. Specified leakage profiles and actual flammability results are not presented due to proprietary and security restrictions. The interior volume formed by the Interstage walls, bounding interfaces with the Upper and First Stages, and surrounding the J2-X engine was modeled using Loci-CHEM to assess the potential for flammable gas mixtures to develop during First Stage operations. The transient analysis included a derived flammability indicator based on mixture ratios to maintain achievable simulation times. Validation of results was based on a comparison to Interstage pressure profiles outlined in prior NASA studies. The approach proved useful in the bounding of flammability risk in supporting program hazard reviews.

Distribution of lod scores in oligogenic linkage analysis.

PubMed

Williams, J T; North, K E; Martin, L J; Comuzzie, A G; Göring, H H; Blangero, J

2001-01-01

In variance component oligogenic linkage analysis it can happen that the residual additive genetic variance bounds to zero when estimating the effect of the ith quantitative trait locus. Using quantitative trait Q1 from the Genetic Analysis Workshop 12 simulated general population data, we compare the observed lod scores from oligogenic linkage analysis with the empirical lod score distribution under a null model of no linkage. We find that zero residual additive genetic variance in the null model alters the usual distribution of the likelihood-ratio statistic.

An elastic band exercise program for older adults using wheelchairs in Taiwan nursing homes: a cluster randomized trial.

PubMed

Chen, Kuei-Min; Li, Chun-Huw; Chang, Ya-Hui; Huang, Hsin-Ting; Cheng, Yin-Yin

2015-01-01

The number of older adults using wheelchairs in nursing homes is over 50% of that population, and many of them use wheelchairs due to muscle weakness in the lower extremities. Muscles of older adults are trainable, and progressive resistance exercises using elastic bands can increase muscle strength in older adults. To test the effectiveness of six-month Wheelchair-bound Senior Elastic Band exercises on the functional fitness of older adults in nursing homes. Cluster randomized trial. Ten nursing homes, southern Taiwan. 127 participants were recruited, and 114 of them completed the study. Inclusion criteria were: (1) aged 65 and over, (2) using wheelchairs for mobility, (3) living in the facility for at least three months, (4) cognitively intact, and (5) heavily or moderate dependency in their activities of daily living. The mean age of the participants was 79.15 (7.03) years, and 98.20% of them had chronic illnesses. Participants were randomly assigned to the experimental (five nursing homes, n=59) or the control (five nursing homes, n=55) group based on the nursing homes where they stayed. A 40-min Wheelchair-bound Senior Elastic Band exercise program was implemented three times per week for six months for the experimental group participants. The functional fitness (activities of daily living, lung capacity, body flexibilities, muscle power and endurance) of the participants was examined at baseline, after three months, and at the end of the six months study. The mixed-design, two-way analysis of variance was used to detect the interaction effects, and one-way repeated measures analysis of variance and analysis of covariance were performed to analyze the within-group and between-group differences. At the end of the six-month study, the Wheelchair-bound Senior Elastic Band group had better performances in all of the functional fitness indicators than the control group (all p<0.05). The Wheelchair-bound Senior Elastic Band exercises significantly improved the functional fitness of the older adults in wheelchairs. It is suggested that the program be incorporated as a part of daily activities for nursing home older adults in wheelchairs. Copyright © 2014 Elsevier Ltd. All rights reserved.

Iron content of soils as a precipitation proxy

NASA Astrophysics Data System (ADS)

Dzombak, R.; Sheldon, N. D.

2016-12-01

Given that different iron phases form under different precipitation and drainage regimes, soil iron content could be used as a proxy for both volume and seasonality of precipitation. Constraining these factors is important for predicting future precipitation trends, especially for a warmer climate that will likely see more frequent extreme weather events. Specifically, using paleoprecipitation data from periods of higher temperatures and atmospheric CO2 concentrations helps inform models of future `greenhouse' climate. Forty-five modern samples from across the continental United States were analyzed, with MAP ranging from 200 to 1200 mm yr-1 and MAT ranging from 5 to 22°C. Soil types included Alfisols (N=15), Inceptisols (N=8), Mollisols (N=15), and Aridisols (N=7), and ranged from seasonally wet to well-drained. Analytical techniques included combustion-elemental analysis and organic carbon isotope analysis, a sequential iron extraction modified with a sodium hypochlorite step for the extraction of organic matter-bound iron, and the extraction of iron sulfides. The sequential extractions yield five different `pools' of iron found in sediment: crystalline iron oxides (e.g., goethite, hematite), magnetite, carbonate-bound, organic matter-bound, and labile/easily reducible iron minerals (e.g., ferrihydrite). Analysis by ICP-OES yielded a strong relationship between magnetite-bound iron and MAP, and fair relationships between the other iron pools and MAP. Individual soil orders tended to show stronger relationships to the iron pools than all soils analyzed together, potentially indicating the need for separate proxy relationships for each soil order. Pyrite concentrations were well below 1% by weight for these soils, suggesting that none of these soils has a long enough wet season to encourage its formation and that the presence vs. absence of pyrite in paleosols may be a useful proxy for soil moisture state. In contrast to some earlier work, no significant relationship was found between A horizon δ13C and MAP, but one may emerge as the size of the dataset increases. Ongoing work will include a wider selection of modern soils, increasing the range of both precipitation and temperature, the number of soil orders, and the degree of drainage.

A Proteomic View at the Biochemistry of Syntrophic Butyrate Oxidation in Syntrophomonas wolfei

PubMed Central

Schmidt, Alexander; Müller, Nicolai; Schink, Bernhard; Schleheck, David

2013-01-01

In syntrophic conversion of butyrate to methane and CO2, butyrate is oxidized to acetate by secondary fermenting bacteria such as Syntrophomonas wolfei in close cooperation with methanogenic partner organisms, e.g., Methanospirillum hungatei. This process involves an energetically unfavourable shift of electrons from the level of butyryl-CoA oxidation to the substantially lower redox potential of proton and/or CO2 reduction, in order to transfer these electrons to the methanogenic partner via hydrogen and/or formate. In the present study, all prominent membrane-bound and soluble proteins expressed in S. wolfei specifically during syntrophic growth with butyrate, in comparison to pure-culture growth with crotonate, were examined by one- and two-dimensional gel electrophoresis, and identified by peptide fingerprinting-mass spectrometry. A membrane-bound, externally oriented, quinone-linked formate dehydrogenase complex was expressed at high level specifically during syntrophic butyrate oxidation, comprising a selenocystein-linked catalytic subunit with a membrane-translocation pathway signal (TAT), a membrane-bound iron-sulfur subunit, and a membrane-bound cytochrome. Soluble hydrogenases were expressed at high levels specifically during growth with crotonate. The results were confirmed by native protein gel electrophoresis, by formate dehydrogenase and hydrogenase-activity staining, and by analysis of formate dehydrogenase and hydrogenase activities in intact cells and cell extracts. Furthermore, constitutive expression of a membrane-bound, internally oriented iron-sulfur oxidoreductase (DUF224) was confirmed, together with expression of soluble electron-transfer flavoproteins (EtfAB) and two previously identified butyryl-CoA dehydrogenases. Our findings allow to depict an electron flow scheme for syntrophic butyrate oxidation in S. wolfei. Electrons derived from butyryl-CoA are transferred through a membrane-bound EtfAB:quinone oxidoreductase (DUF224) to a menaquinone cycle and further via a b-type cytochrome to an externally oriented formate dehydrogenase. Hence, an ATP hydrolysis-driven proton-motive force across the cytoplasmatic membrane would provide the energy input for the electron potential shift necessary for formate formation. PMID:23468890

Degradation of neurotensin by rat brain synaptic membranes: involvement of a thermolysin-like metalloendopeptidase (enkephalinase), angiotensin-converting enzyme, and other unidentified peptidases.

PubMed

Checler, F; Vincent, J P; Kitabgi, P

1983-08-01

Neurotensin was inactivated by membrane-bound and soluble degrading activities present in purified preparations of rat brain synaptic membranes. Degradation products were identified by HPLC and amino acid analysis. The major points of cleavage of neurotensin were the Arg8-Arg9, Pro10-Tyr11, and Tyr11-Ile12 peptide bonds with the membrane-bound activity and the Arg8-Arg9 and Pro10-Tyr11 bonds with the soluble activity. Several lines of evidence indicated that the cleavage of the Arg8-Arg9 bond by the membrane-bound activity resulted mainly from the conversion of neurotensin1-10 to neurotensin1-8 by a dipeptidyl carboxypeptidase. In particular, captopril inhibited this cleavage with an IC50 (5.7 nM) close to its K1 (7 nM) for angiotensin-converting enzyme. Thiorphan inhibited the cleavage at the Tyr11-Ile12 bond by the membrane-bound activity with an IC50 (17 nM) similar to its K1 (4.7 nM) for enkephalinase. Both cleavages were inhibited by 1,10-phenanthroline. These and other data suggested that angiotensin-converting enzyme and a thermolysin-like metalloendopeptidase (enkephalinase) were the membrane-bound peptidases responsible for cleavages at the Arg8-Arg9 and Tyr11-Ile12 bonds, respectively. In contrast, captopril had no effect on the cleavage at the Arg8-Arg9 bond by the soluble activity, indicating that the enzyme responsible for this cleavage was different from angiotensin-converting enzyme. The cleavage at the Pro10-Tyr11 bond by both the membrane-bound and the soluble activities appeared to be catalyzed by an endopeptidase different from known brain proline endopeptidases. The possibility is discussed that the enzymes described here participate in physiological mechanisms of neurotensin inactivation at the synaptic level.

Forecasting neutrino masses from combining KATRIN and the CMB observations: Frequentist and Bayesian analyses

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

Host, Ole; Lahav, Ofer; Abdalla, Filipe B.

We present a showcase for deriving bounds on the neutrino masses from laboratory experiments and cosmological observations. We compare the frequentist and Bayesian bounds on the effective electron neutrino mass m{sub {beta}} which the KATRIN neutrino mass experiment is expected to obtain, using both an analytical likelihood function and Monte Carlo simulations of KATRIN. Assuming a uniform prior in m{sub {beta}}, we find that a null result yields an upper bound of about 0.17 eV at 90% confidence in the Bayesian analysis, to be compared with the frequentist KATRIN reference value of 0.20 eV. This is a significant difference whenmore » judged relative to the systematic and statistical uncertainties of the experiment. On the other hand, an input m{sub {beta}}=0.35 eV, which is the KATRIN 5{sigma} detection threshold, would be detected at virtually the same level. Finally, we combine the simulated KATRIN results with cosmological data in the form of present (post-WMAP) and future (simulated Planck) observations. If an input of m{sub {beta}}=0.2 eV is assumed in our simulations, KATRIN alone excludes a zero neutrino mass at 2.2{sigma}. Adding Planck data increases the probability of detection to a median 2.7{sigma}. The analysis highlights the importance of combining cosmological and laboratory data on an equal footing.« less

Constraining the range of Yukawa gravity interaction from S2 star orbits II: bounds on graviton mass

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

Zakharov, A.F.; Jovanović, P.; Borka, D.

2016-05-01

Recently LIGO collaboration discovered gravitational waves [1] predicted 100 years ago by A. Einstein. Moreover, in the key paper reporting about the discovery, the joint LIGO and VIRGO team presented an upper limit on graviton mass such as m {sub g} < 1.2 × 10{sup −22} eV [2] (see also more details in another LIGO paper [3] dedicated to a data analysis to obtain such a small constraint on a graviton mass). Since the graviton mass limit is so small the authors concluded that their observational data do not show violations of classical general relativity. We consider another opportunity tomore » evaluate a graviton mass from phenomenological consequences of massive gravity and show that an analysis of bright star trajectories could bound graviton mass with a comparable accuracy with accuracies reached with gravitational wave interferometers and expected with forthcoming pulsar timing observations for gravitational wave detection. It gives an opportunity to treat observations of bright stars near the Galactic Center as a wonderful tool not only for an evaluation specific parameters of the black hole but also to obtain constraints on the fundamental gravity law such as a modifications of Newton gravity law in a weak field approximation. In particular, we obtain bounds on a graviton mass based on a potential reconstruction at the Galactic Center.« less

Genome-wide Analysis of Simultaneous GATA1/2, RUNX1, FLI1, and SCL Binding in Megakaryocytes Identifies Hematopoietic Regulators

PubMed Central

Tijssen, Marloes R.; Cvejic, Ana; Joshi, Anagha; Hannah, Rebecca L.; Ferreira, Rita; Forrai, Ariel; Bellissimo, Dana C.; Oram, S. Helen; Smethurst, Peter A.; Wilson, Nicola K.; Wang, Xiaonan; Ottersbach, Katrin; Stemple, Derek L.; Green, Anthony R.; Ouwehand, Willem H.; Göttgens, Berthold

2011-01-01

Summary Hematopoietic differentiation critically depends on combinations of transcriptional regulators controlling the development of individual lineages. Here, we report the genome-wide binding sites for the five key hematopoietic transcription factors—GATA1, GATA2, RUNX1, FLI1, and TAL1/SCL—in primary human megakaryocytes. Statistical analysis of the 17,263 regions bound by at least one factor demonstrated that simultaneous binding by all five factors was the most enriched pattern and often occurred near known hematopoietic regulators. Eight genes not previously appreciated to function in hematopoiesis that were bound by all five factors were shown to be essential for thrombocyte and/or erythroid development in zebrafish. Moreover, one of these genes encoding the PDZK1IP1 protein shared transcriptional enhancer elements with the blood stem cell regulator TAL1/SCL. Multifactor ChIP-Seq analysis in primary human cells coupled with a high-throughput in vivo perturbation screen therefore offers a powerful strategy to identify essential regulators of complex mammalian differentiation processes. PMID:21571218

Graviton mass bounds from an analysis of bright star trajectories at the Galactic Center

NASA Astrophysics Data System (ADS)

Zakharov, Alexander; Jovanović, Predrag; Borka, Dusko; Jovanović, Vesna Borka

2017-03-01

In February 2016 the LIGO & VIRGO collaboration reported the discovery of gravitational waves in merging black holes, therefore, the team confirmed GR predictions about an existence of black holes and gravitational waves in the strong gravitational field limit. Moreover, in their papers the joint LIGO & VIRGO team presented an upper limit on graviton mass such as mg < 1.2 × 10-22 eV (Abbott et al. 2016). So, the authors concluded that their observational data do not show any violation of classical general relativity. We show that an analysis of bright star trajectories could constrain graviton mass with a comparable accuracy with accuracies reached with gravitational wave interferometers and the estimate is consistent with the one obtained by the LIGO & VIRGO collaboration. This analysis gives an opportunity to treat observations of bright stars near the Galactic Center as a useful tool to obtain constraints on the fundamental gravity law such as modifications of the Newton gravity law in a weak field approximation. In that way, based on a potential reconstruction at the Galactic Center we obtain bounds on a graviton mass.

An extended GS method for dense linear systems

NASA Astrophysics Data System (ADS)

Niki, Hiroshi; Kohno, Toshiyuki; Abe, Kuniyoshi

2009-09-01

Davey and Rosindale [K. Davey, I. Rosindale, An iterative solution scheme for systems of boundary element equations, Internat. J. Numer. Methods Engrg. 37 (1994) 1399-1411] derived the GSOR method, which uses an upper triangular matrix [Omega] in order to solve dense linear systems. By applying functional analysis, the authors presented an expression for the optimum [Omega]. Moreover, Davey and Bounds [K. Davey, S. Bounds, A generalized SOR method for dense linear systems of boundary element equations, SIAM J. Comput. 19 (1998) 953-967] also introduced further interesting results. In this note, we employ a matrix analysis approach to investigate these schemes, and derive theorems that compare these schemes with existing preconditioners for dense linear systems. We show that the convergence rate of the Gauss-Seidel method with preconditioner PG is superior to that of the GSOR method. Moreover, we define some splittings associated with the iterative schemes. Some numerical examples are reported to confirm the theoretical analysis. We show that the EGS method with preconditioner produces an extremely small spectral radius in comparison with the other schemes considered.

A Full Virial Analysis of the Prestellar Cores in the Ophiuchus Molecular Cloud

NASA Astrophysics Data System (ADS)

Pattle, Kate; Ward-Thompson, Derek

We use SCUBA-2, HARP C18O J= 3 -> 2, Herschel and IRAM N2H+ J= 1 -> 0 observations of the Ophiuchus molecular cloud to identify and characterise the properties of the starless cores in the region. The SCUBA-2, HARP and Herschel data were taken as part of the JCMT and Herschel Gould Belt Surveys. We determine masses and temperatures and perform a full virial analysis on our cores, and find that our cores are all either bound or virialised, with gravitational energy and external pressure energy on average of similar importance in confining the cores. There is wide variation from region to region, with cores in the region influenced by B stars (Oph A) being substantially gravitationally bound, and cores in the most quiescent region (Oph C) being pressure-confined. We observe dissipation of turbulence in all our cores, and find that this dissipation is more effective in regions which do not contain outflow-driving protostars. Full details of this analysis are presented by Pattle et al. (2015).

Global Conformational Selection and Local Induced Fit for the Recognition between Intrinsic Disordered p53 and CBP

PubMed Central

Yu, Qingfen; Ye, Wei; Wang, Wei; Chen, Hai-Feng

2013-01-01

The transactivation domain (TAD) of tumor suppressor p53 can bind with the nuclear coactivator binding domain (NCBD) of cyclic-AMP response element binding protein (CBP) and activate transcription. NMR experiments demonstrate that both apo-NCBD and TAD are intrinsic disordered and bound NCBD/TAD undergoes a transition to well folded. The recognition mechanism between intrinsic disordered proteins is still hotly debated. Molecular dynamics (MD) simulations in explicit solvent are used to study the recognition mechanism between intrinsic disordered TAD and NCBD. The average RMSD values between bound and corresponding apo states and Kolmogorov-Smirnov P test analysis indicate that TAD and NCBD may follow an induced fit mechanism. Quantitative analysis indicates there is also a global conformational selection. In summary, the recognition of TAD and NCBD might obey a local induced fit and global conformational selection. These conclusions are further supported by high-temperature unbinding kinetics and room temperature landscape analysis. These methods can be used to study the recognition mechanism of other intrinsic disordered proteins. PMID:23555731

Identifying optimum performance trade-offs using a cognitively bounded rational analysis model of discretionary task interleaving.

PubMed

Janssen, Christian P; Brumby, Duncan P; Dowell, John; Chater, Nick; Howes, Andrew

2011-01-01

We report the results of a dual-task study in which participants performed a tracking and typing task under various experimental conditions. An objective payoff function was used to provide explicit feedback on how participants should trade off performance between the tasks. Results show that participants' dual-task interleaving strategy was sensitive to changes in the difficulty of the tracking task and resulted in differences in overall task performance. To test the hypothesis that people select strategies that maximize payoff, a Cognitively Bounded Rational Analysis model was developed. This analysis evaluated a variety of dual-task interleaving strategies to identify the optimal strategy for maximizing payoff in each condition. The model predicts that the region of optimum performance is different between experimental conditions. The correspondence between human data and the prediction of the optimal strategy is found to be remarkably high across a number of performance measures. This suggests that participants were honing their behavior to maximize payoff. Limitations are discussed. Copyright © 2011 Cognitive Science Society, Inc.

21 CFR 862.1640 - Protein-bound iodine test system.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Protein-bound iodine test system. 862.1640 Section... Systems § 862.1640 Protein-bound iodine test system. (a) Identification. A protein-bound iodine test system is a device intended to measure protein-bound iodine in serum. Measurements of protein-bound...

21 CFR 862.1640 - Protein-bound iodine test system.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Protein-bound iodine test system. 862.1640 Section... Systems § 862.1640 Protein-bound iodine test system. (a) Identification. A protein-bound iodine test system is a device intended to measure protein-bound iodine in serum. Measurements of protein-bound...

21 CFR 862.1640 - Protein-bound iodine test system.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Protein-bound iodine test system. 862.1640 Section... Systems § 862.1640 Protein-bound iodine test system. (a) Identification. A protein-bound iodine test system is a device intended to measure protein-bound iodine in serum. Measurements of protein-bound...

21 CFR 862.1640 - Protein-bound iodine test system.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Protein-bound iodine test system. 862.1640 Section... Systems § 862.1640 Protein-bound iodine test system. (a) Identification. A protein-bound iodine test system is a device intended to measure protein-bound iodine in serum. Measurements of protein-bound...

Maximum likelihood decoding analysis of accumulate-repeat-accumulate codes

NASA Technical Reports Server (NTRS)

Abbasfar, A.; Divsalar, D.; Yao, K.

2004-01-01

In this paper, the performance of the repeat-accumulate codes with (ML) decoding are analyzed and compared to random codes by very tight bounds. Some simple codes are shown that perform very close to Shannon limit with maximum likelihood decoding.

The price of privately releasing contingency tables, and the spectra of random matrices with correlated rows

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

Kasiviswanathan, Shiva; Rudelson, Mark; Smith, Adam

2009-01-01

Contingency tables are the method of choice of government agencies for releasing statistical summaries of categorical data. In this paper, we consider lower bounds on how much distortion (noise) is necessary in these tables to provide privacy guarantees when the data being summarized is sensitive. We extend a line of recent work on lower bounds on noise for private data analysis [10, 13. 14, 15] to a natural and important class of functionalities. Our investigation also leads to new results on the spectra of random matrices with correlated rows. Consider a database D consisting of n rows (one per individual),more » each row comprising d binary attributes. For any subset of T attributes of size |T| = k, the marginal table for T has 2{sup k} entries; each entry counts how many times in the database a particular setting of these attributes occurs. Imagine an agency that wishes to release all (d/k) contingency tables for a given database. For constant k, previous work showed that distortion {tilde {Omicron}}(min{l_brace}n, (n{sup 2}d){sup 1/3}, {radical}d{sup k}{r_brace}) is sufficient for satisfying differential privacy, a rigorous definition of privacy that has received extensive recent study. Our main contributions are: (1) For {epsilon}- and ({epsilon}, {delta})-differential privacy (with {epsilon} constant and {delta} = 1/poly(n)), we give a lower bound of {tilde {Omega}}(min{l_brace}{radical}n, {radical}d{sup k}{r_brace}), which is tight for n = {tilde {Omega}}(d{sup k}). Moreover, for a natural and popular class of mechanisms based on additive noise, our bound can be strengthened to {Omega}({radical}d{sup k}), which is tight for all n. Our bounds extend even to non-constant k, losing roughly a factor of {radical}2{sup k} compared to the best known upper bounds for large n. (2) We give efficient polynomial time attacks which allow an adversary to reconstruct sensitive infonnation given insufficiently perturbed contingency table releases. For constant k, we obtain a lower bound of {tilde {Omega}}(min{l_brace}{radical}n, {radical}d{sup k}{r_brace}) that applies to a large class of privacy notions, including K-anonymity (along with its variants) and differential privacy. In contrast to our bounds for differential privacy, this bound (a) is shown only for constant k, but (b) is tight for all values of n when k is constant. (3) Our reconstruction-based attacks require a new lower bound on the least singular values of random matrices with correlated rows. For a constant k, consider a matrix M with (d/k) rows which are formed by taking all possible k-way entry-wise products of an underlying set of d random vectors. We show that even for nearly square matrices with d{sup k}/log d columns, the least singular value is {Omega}({radical}d{sup k}) with high probability - asymptotically, the same bound as one gets for a matrix with independent rows. The proof requires several new ideas for analyzing random matrices and could be of independent interest.« less

Upper bounds on superpartner masses from upper bounds on the Higgs boson mass.

PubMed

Cabrera, M E; Casas, J A; Delgado, A

2012-01-13

The LHC is putting bounds on the Higgs boson mass. In this Letter we use those bounds to constrain the minimal supersymmetric standard model (MSSM) parameter space using the fact that, in supersymmetry, the Higgs mass is a function of the masses of sparticles, and therefore an upper bound on the Higgs mass translates into an upper bound for the masses for superpartners. We show that, although current bounds do not constrain the MSSM parameter space from above, once the Higgs mass bound improves big regions of this parameter space will be excluded, putting upper bounds on supersymmetry (SUSY) masses. On the other hand, for the case of split-SUSY we show that, for moderate or large tanβ, the present bounds on the Higgs mass imply that the common mass for scalars cannot be greater than 10(11)  GeV. We show how these bounds will evolve as LHC continues to improve the limits on the Higgs mass.

34 CFR 645.12 - What services may regular Upward Bound and Upward Bound Math-Science projects provide?

Code of Federal Regulations, 2014 CFR

2014-07-01

... 34 Education 3 2014-07-01 2014-07-01 false What services may regular Upward Bound and Upward Bound Math-Science projects provide? 645.12 Section 645.12 Education Regulations of the Offices of the... services may regular Upward Bound and Upward Bound Math-Science projects provide? Any project assisted...

34 CFR 645.12 - What services may regular Upward Bound and Upward Bound Math-Science projects provide?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 34 Education 3 2011-07-01 2011-07-01 false What services may regular Upward Bound and Upward Bound Math-Science projects provide? 645.12 Section 645.12 Education Regulations of the Offices of the... services may regular Upward Bound and Upward Bound Math-Science projects provide? Any project assisted...

34 CFR 645.12 - What services may regular Upward Bound and Upward Bound Math-Science projects provide?

Code of Federal Regulations, 2013 CFR

2013-07-01

... 34 Education 3 2013-07-01 2013-07-01 false What services may regular Upward Bound and Upward Bound Math-Science projects provide? 645.12 Section 645.12 Education Regulations of the Offices of the... services may regular Upward Bound and Upward Bound Math-Science projects provide? Any project assisted...

34 CFR 645.12 - What services may regular Upward Bound and Upward Bound Math-Science projects provide?

Code of Federal Regulations, 2012 CFR

2012-07-01

... 34 Education 3 2012-07-01 2012-07-01 false What services may regular Upward Bound and Upward Bound Math-Science projects provide? 645.12 Section 645.12 Education Regulations of the Offices of the... services may regular Upward Bound and Upward Bound Math-Science projects provide? Any project assisted...

Reliability analysis of composite laminates with load sharing

NASA Technical Reports Server (NTRS)

Wetherhold, Robert C.; Thomas, David J.

1991-01-01

By viewing a composite lamina as a homogeneous solid whose directional strengths are random variables, lamina reliability under multiaxial stresses may be determined using either an interactive or a noninteractive criterion. From the reliability values for the individual laminae comprising a given laminate, Thomas and Wetherhold (1991) have proposed a method for determining bounds for the overall laminate reliability. In this paper, simple physically plausible phenomenological rules are proposed for redistribution of load after a lamina has failed within the confines of a laminate. These rules are illustrated by application to (0/ +/-15)s and (90/ +/-45/0)s graphite/epoxy laminates, and the results are compared to the previously proposed bounds.

Investigating Actuation Force Fight with Asynchronous and Synchronous Redundancy Management Techniques

NASA Technical Reports Server (NTRS)

Hall, Brendan; Driscoll, Kevin; Schweiker, Kevin; Dutertre, Bruno

2013-01-01

Within distributed fault-tolerant systems the term force-fight is colloquially used to describe the level of command disagreement present at redundant actuation interfaces. This report details an investigation of force-fight using three distributed system case-study architectures. Each case study architecture is abstracted and formally modeled using the Symbolic Analysis Laboratory (SAL) tool chain from the Stanford Research Institute (SRI). We use the formal SAL models to produce k-induction based proofs of a bounded actuation agreement property. We also present a mathematically derived bound of redundant actuation agreement for sine-wave stimulus. The report documents our experiences and lessons learned developing the formal models and the associated proofs.

Development of a scale to assess Hwa-Byung, a Korean culture-bound syndrome, using the Korean MMPI-2.

PubMed

Roberts, Miguel E; Han, Kyunghee; Weed, Nathan C

2006-09-01

This study documents the development of an MMPI-2 scale designed to assess features of the Korean culture-bound syndrome, Hwa-Byung (HB). An American research team and psychiatric practitioners in Korea created an 18-item HB scale via rational item selection and psycho-metric refinement. Principal components analysis of scale items revealed four components, reflecting content domains of general health, gastrointestinal symptoms, hopelessness, and anger. This four-component solution applied well to both Korean men and women, but not to an American sample. Although some findings were encouraging, future studies employing clinical samples are needed to provide further validation of this scale.

Free surface convection in a bounded cylindrical geometry

NASA Astrophysics Data System (ADS)

Vrentas, J. S.; Narayanan, R.; Agrawal, S. S.

1981-09-01

Surface tension-driven convection and buoyancy-driven convection in a bounded cylindrical geometry with a free surface are studied for a range of aspect ratios and Nusselt numbers. The thermal convection is in a liquid layer contained in a vertical circular cylinder with a single free boundary, the top surface, which is in contact with an inviscid gas phase. A different method is also developed for analyzing free convection problems using Green's functions, reducing the problem to the solution of an integral equation. Linear theory and some aspects of a nonlinear analysis are utilized to determine the critical Marangoni and Rayleigh numbers, the structure of the convective motion, the direction of flow, and the nature of the bifurcation branching.

Statistical analysis of EGFR structures' performance in virtual screening

NASA Astrophysics Data System (ADS)

Li, Yan; Li, Xiang; Dong, Zigang

2015-11-01

In this work the ability of EGFR structures to distinguish true inhibitors from decoys in docking and MM-PBSA is assessed by statistical procedures. The docking performance depends critically on the receptor conformation and bound state. The enrichment of known inhibitors is well correlated with the difference between EGFR structures rather than the bound-ligand property. The optimal structures for virtual screening can be selected based purely on the complex information. And the mixed combination of distinct EGFR conformations is recommended for ensemble docking. In MM-PBSA, a variety of EGFR structures have identically good performance in the scoring and ranking of known inhibitors, indicating that the choice of the receptor structure has little effect on the screening.

ANOTHER LOOK AT THE FAST ITERATIVE SHRINKAGE/THRESHOLDING ALGORITHM (FISTA)*

PubMed Central

Kim, Donghwan; Fessler, Jeffrey A.

2017-01-01

This paper provides a new way of developing the “Fast Iterative Shrinkage/Thresholding Algorithm (FISTA)” [3] that is widely used for minimizing composite convex functions with a nonsmooth term such as the ℓ1 regularizer. In particular, this paper shows that FISTA corresponds to an optimized approach to accelerating the proximal gradient method with respect to a worst-case bound of the cost function. This paper then proposes a new algorithm that is derived by instead optimizing the step coefficients of the proximal gradient method with respect to a worst-case bound of the composite gradient mapping. The proof is based on the worst-case analysis called Performance Estimation Problem in [11]. PMID:29805242

Andreev Bound States Formation and Quasiparticle Trapping in Quench Dynamics Revealed by Time-Dependent Counting Statistics.

PubMed

Souto, R Seoane; Martín-Rodero, A; Yeyati, A Levy

2016-12-23

We analyze the quantum quench dynamics in the formation of a phase-biased superconducting nanojunction. We find that in the absence of an external relaxation mechanism and for very general conditions the system gets trapped in a metastable state, corresponding to a nonequilibrium population of the Andreev bound states. The use of the time-dependent full counting statistics analysis allows us to extract information on the asymptotic population of even and odd many-body states, demonstrating that a universal behavior, dependent only on the Andreev state energy, is reached in the quantum point contact limit. These results shed light on recent experimental observations on quasiparticle trapping in superconducting atomic contacts.

Methods for external event screening quantification: Risk Methods Integration and Evaluation Program (RMIEP) methods development

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

Ravindra, M.K.; Banon, H.

1992-07-01

In this report, the scoping quantification procedures for external events in probabilistic risk assessments of nuclear power plants are described. External event analysis in a PRA has three important goals; (1) the analysis should be complete in that all events are considered; (2) by following some selected screening criteria, the more significant events are identified for detailed analysis; (3) the selected events are analyzed in depth by taking into account the unique features of the events: hazard, fragility of structures and equipment, external-event initiated accident sequences, etc. Based on the above goals, external event analysis may be considered as amore » three-stage process: Stage I: Identification and Initial Screening of External Events; Stage II: Bounding Analysis; Stage III: Detailed Risk Analysis. In the present report, first, a review of published PRAs is given to focus on the significance and treatment of external events in full-scope PRAs. Except for seismic, flooding, fire, and extreme wind events, the contributions of other external events to plant risk have been found to be negligible. Second, scoping methods for external events not covered in detail in the NRC`s PRA Procedures Guide are provided. For this purpose, bounding analyses for transportation accidents, extreme winds and tornadoes, aircraft impacts, turbine missiles, and chemical release are described.« less

High Productivity Computing Systems Analysis and Performance

DTIC Science & Technology

2005-07-01

cubic grid Discrete Math Global Updates per second (GUP/S) RandomAccess Paper & Pencil Contact Bob Lucas (ISI) Multiple Precision none...can be found at the web site. One of the HPCchallenge codes, RandomAccess, is derived from the HPCS discrete math benchmarks that we released, and...Kernels Discrete Math … Graph Analysis … Linear Solvers … Signal Processi ng Execution Bounds Execution Indicators 6 Scalable Compact

Statistical analysis of the magnetization signatures of impact basins

NASA Astrophysics Data System (ADS)

Gabasova, L. R.; Wieczorek, M. A.

2017-09-01

We quantify the magnetic signatures of the largest lunar impact basins using recent mission data and robust statistical bounds, and obtain an early activity timeline for the lunar core dynamo which appears to peak earlier than indicated by Apollo paleointensity measurements.

Hard and Soft Constraints in Reliability-Based Design Optimization

NASA Technical Reports Server (NTRS)

Crespo, L.uis G.; Giesy, Daniel P.; Kenny, Sean P.

2006-01-01

This paper proposes a framework for the analysis and design optimization of models subject to parametric uncertainty where design requirements in the form of inequality constraints are present. Emphasis is given to uncertainty models prescribed by norm bounded perturbations from a nominal parameter value and by sets of componentwise bounded uncertain variables. These models, which often arise in engineering problems, allow for a sharp mathematical manipulation. Constraints can be implemented in the hard sense, i.e., constraints must be satisfied for all parameter realizations in the uncertainty model, and in the soft sense, i.e., constraints can be violated by some realizations of the uncertain parameter. In regard to hard constraints, this methodology allows (i) to determine if a hard constraint can be satisfied for a given uncertainty model and constraint structure, (ii) to generate conclusive, formally verifiable reliability assessments that allow for unprejudiced comparisons of competing design alternatives and (iii) to identify the critical combination of uncertain parameters leading to constraint violations. In regard to soft constraints, the methodology allows the designer (i) to use probabilistic uncertainty models, (ii) to calculate upper bounds to the probability of constraint violation, and (iii) to efficiently estimate failure probabilities via a hybrid method. This method integrates the upper bounds, for which closed form expressions are derived, along with conditional sampling. In addition, an l(sub infinity) formulation for the efficient manipulation of hyper-rectangular sets is also proposed.

Variable sequences outside the SAM-binding core critically influence the conformational dynamics of the SAM-III/SMK box riboswitch

PubMed Central

Lu, Changrui; Smith, Angela M; Ding, Fang; Chowdhury, Anirban; Henkin, Tina M; Ke, Ailong

2012-01-01

The SMK box (SAM-III) translational riboswitches were identified in S-adenosyl-L-methionine (SAM) synthetase metK genes in members of the Lactobacillales. This riboswitch switches between two alternative conformations in response to the intracellular SAM concentration and controls metK expression at the level of translation initiation. We previously reported the crystal structure of the SAM-bound SMK box riboswitch. In this study we combined SHAPE chemical probing with mutagenesis to probe the ligand-induced conformational switching mechanism. We revealed that while the majority of the apo SMK box RNA molecules exist in an alternatively base paired (ON) conformation, a subset of them pre-organize into a SAM-bound-like (READY) conformation, which upon SAM exposure is selectively stabilized into the SAM-bound (OFF) conformation through an induced-fit mechanism. Mutagenesis showed that the ON state is only slightly more stable than the READY state, as several single-nucleotide substitutions in a hypervariable region outside the SAM-binding core can alter the folding landscape to favor the READY state. Such SMK variants display a “constitutively-OFF” behavior both in vitro and in vivo. Time-resolved and temperature-dependent SHAPE analyses revealed adaptation of the SMK box RNA to its mesothermal working environment. The latter analysis revealed that the SAM-bound SMK box RNA follows a two-step folding/unfolding process. PMID:21549712

The Incidence of Sixteenth Century Cosmic Models in Modern Texts

NASA Astrophysics Data System (ADS)

Maene, S. A.; Best, J. S.; Usher, P. D.

1999-12-01

In the sixteenth century, the bounded cosmological models of Copernicus (1543) and Tycho Brahe (1588), and the unbounded model of Thomas Digges (1576), vied with the bounded geocentric model of Ptolemy (c. 140 AD). The work of the philosopher Giordano Bruno in 1584 lent further support to the Digges model. Despite the eventual acceptance of the unbounded universe, analysis of over 100 modern introductory astronomy texts reveals that these early unbounded models are mentioned infrequently. The ratio of mentions of Digges' model to Copernicus' model has the surprisingly low value of R = 0.08. The philosophical speculation of Bruno receives mention more than twice as often (R = 0.17). The expectation that these early unbounded models warrant inclusion in astronomy texts is supported both by modern hindsight and by the literature of the time. In Shakespeare's "Hamlet" of c. 1601, Prince Hamlet suffers from two transformations. According to the cosmic allegorical model, one transformation changes the bounded geocentricism of Ptolemy to the bounded heliocentricism of Copernicus, while the other completes the change to Digges' model of the infinite universe of suns. This interpretation and the modern world view suggest that both transformations should receive equal mention and thus that the ratio R in introductory texts should be close to unity. This work was supported in part by the NASA West Virginia Space Grant Consortium.

Central limit theorem for recurrent random walks on a strip with bounded potential

NASA Astrophysics Data System (ADS)

Dolgopyat, D.; Goldsheid, I.

2018-07-01

We prove that the recurrent random walk (RW) in random environment (RE) on a strip in bounded potential satisfies the central limit theorem (CLT). The key ingredients of the proof are the analysis of the invariant measure equation and construction of a linearly growing martingale for walks in bounded potential. Our main result implies a complete classification of recurrent i.i.d. RWRE on the strip. Namely the walk either exhibits the Sinai behaviour in the sense that converges, as , to a (random) limit (the Sinai law) or, it satisfies the CLT. Another application of our main result is the CLT for the quasiperiodic environments with Diophantine frequencies in the recurrent case. We complement this result by proving that in the transient case the CLT holds for all uniquely ergodic environments. We also investigate the algebraic structure of the environments satisfying the CLT. In particular, we show that there exists a collection of proper algebraic subvarieties in the space of transition probabilities, such that: • If RE is stationary and ergodic and the transition probabilities are con-centrated on one of subvarieties from our collection then the CLT holds. • If the environment is i.i.d then the above condition is also necessary forthe CLT. All these results are valid for one-dimensional RWRE with bounded jumps as a particular case of the strip model.

Bounds on graviton mass using weak lensing and SZ effect in galaxy clusters

NASA Astrophysics Data System (ADS)

Rana, Akshay; Jain, Deepak; Mahajan, Shobhit; Mukherjee, Amitabha

2018-06-01

In General Relativity (GR), the graviton is massless. However, a common feature in several theoretical alternatives of GR is a non-zero mass for the graviton. These theories can be described as massive gravity theories. Despite many theoretical complexities in these theories, on phenomenological grounds the implications of massive gravity have been widely used to put bounds on graviton mass. One of the generic implications of giving a mass to the graviton is that the gravitational potential will follow a Yukawa-like fall off. We use this feature of massive gravity theories to probe the mass of graviton by using the largest gravitationally bound objects, namely galaxy clusters. In this work, we use the mass estimates of galaxy clusters measured at various cosmologically defined radial distances measured via weak lensing (WL) and Sunyaev-Zel'dovich (SZ) effect. We also use the model independent values of Hubble parameter H (z) smoothed by a non-parametric method, Gaussian process. Within 1σ confidence region, we obtain the mass of graviton mg < 5.9 ×10-30 eV with the corresponding Compton length scale λg > 6.82 Mpc from weak lensing and mg < 8.31 ×10-30 eV with λg > 5.012 Mpc from SZ effect. This analysis improves the upper bound on graviton mass obtained earlier from galaxy clusters.

VP7: an attachment protein of bluetongue virus for cellular receptors in Culicoides variipennis.

PubMed

Xu, G; Wilson, W; Mecham, J; Murphy, K; Zhou, E M; Tabachnick, W

1997-07-01

The importance of VP7 of bluetongue virus (BTV) in the binding of BTV to membrane proteins of the BTV vector Culicoides variipennis was investigated. Core BTV particles, prepared from whole viruses, lacked outer proteins VP2 and VP5 and had VP7 exposed. More core particles and whole viruses bound to membrane preparations of adults of C. variipennis and KC cells, which were cultured from this vector insect, than to membrane preparations of Manduca sexta larvae. More core particles than whole viruses bound to membrane preparations of adults of C. variipennis and KC cells. Polyclonal anti-idiotypic antibodies (anti-Id), which were made against an antigen-combining region of an anti-BTV-10 VP7 antibody and functionally mimicked VP7, bound more to the membrane preparations of adults of C. variipennis and KC cells, and less to cytosol preparations. In Western overalay analysis, the Culicoides plasma membrane preparation reduced binding of an anti-VP7 monoclonal antibody to VP7. Whole and core BTV particles and the anti-Id bound to a membrane protein with a molecular mass of 23 kDa that was present predominantly in membrane preparations of adults of C. variipennis and KC cells. This protein was present in much lower concentrations in membrane preparations of C6/36 and DM-2 insect cells.

Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal A Novel Type IA Topoisomerase-DNA Conformational Intermediate

PubMed Central

Changela, Anita; DiGate, Russell J.; Mondragón, Alfonso

2007-01-01

Summary E. coli DNA topoisomerase III belongs to the type IA family of DNA topoisomerases, which transiently cleave single-stranded DNA (ssDNA) via a 5′ phosphotyrosine intermediate. We have solved crystal structures of wild-type E. coli topoisomerase III bound to an 8-base ssDNA molecule in three different pH environments. The structures reveal the enzyme in three distinct conformational states while bound to DNA. One conformation resembles the one observed previously with a DNA-bound, catalytically inactive mutant of topoisomerase III where DNA binding realigns catalytic residues to form a functional active site. Another conformation represents a novel intermediate in which DNA is bound along the ssDNA-binding groove but does not enter the active site, which remains in a catalytically inactive, closed state. A third conformation shows an intermediate state where the enzyme is still in a closed state, but the ssDNA is starting to invade the active site. For the first time, the active site region in the presence of both the catalytic tyrosine and ssDNA substrate is revealed for a type IA DNA topoisomerase, although there is no evidence of ssDNA cleavage. Comparative analysis of the various conformational states suggests a sequence of domain movements undertaken by the enzyme upon substrate binding. PMID:17331537

Analysis of nucleotides and oligonucleotides immobilized as self-assembled monolayers by static secondary ion mass spectrometry.

PubMed

Patrick, J S; Cooks, R G; Pachuta, S J

1994-11-01

Nucleic acid constituents can be bound to a metal surface in the form of self-assembled monolayers. Binding is achieved either through ionic interactions with a self-assembled 2-aminoethanethiol monolayer or by direct covalent binding of a dithiophosphate oligonucleotide to a metal surface through a sulfur-metal bond. Nucleotides, polynucleotides (both normal and a dithiophosphate analog) and double-stranded DNA have all been bound to surfaces. When the surfaces are interrogated using static secondary ion mass spectrometry (SIMS), the surface-bound nucleic acid constituents are observed in the form of the characteristic protonated nucleic acid base ions (BH2+). While a silver foil substrate was found to provide the highest absolute signal, vapor-deposited gold yields the best signal-to-noise ratio for ionically bound deoxyguanosine monophosphate. Under comparable conditions, a Cs+ projectile produces a 10-fold increase in the secondary ion signal relative to a Ga+ projectile. The experiment has been extended to a triple-quadrupole instrument where tandem mass spectrometric experiments on ionically immobilized dGMP showed the characteristic loss of ammonia from the released BH2+ ion. When a 'biomimetic' surface formed by ionically immobilizing double-stranded DNA is exposed to a solution containing ethidium bromide, ions corresponding to the non-covalent adduct are readily detectable using SIMS. This adduct and the nucleic acid constituents can be monitored at levels below 10 fmol.

Universal bounds on current fluctuations.

PubMed

Pietzonka, Patrick; Barato, Andre C; Seifert, Udo

2016-05-01

For current fluctuations in nonequilibrium steady states of Markovian processes, we derive four different universal bounds valid beyond the Gaussian regime. Different variants of these bounds apply to either the entropy change or any individual current, e.g., the rate of substrate consumption in a chemical reaction or the electron current in an electronic device. The bounds vary with respect to their degree of universality and tightness. A universal parabolic bound on the generating function of an arbitrary current depends solely on the average entropy production. A second, stronger bound requires knowledge both of the thermodynamic forces that drive the system and of the topology of the network of states. These two bounds are conjectures based on extensive numerics. An exponential bound that depends only on the average entropy production and the average number of transitions per time is rigorously proved. This bound has no obvious relation to the parabolic bound but it is typically tighter further away from equilibrium. An asymptotic bound that depends on the specific transition rates and becomes tight for large fluctuations is also derived. This bound allows for the prediction of the asymptotic growth of the generating function. Even though our results are restricted to networks with a finite number of states, we show that the parabolic bound is also valid for three paradigmatic examples of driven diffusive systems for which the generating function can be calculated using the additivity principle. Our bounds provide a general class of constraints for nonequilibrium systems.

Molecular dynamics simulation of phosphorylated KID post-translational modification.

PubMed

Chen, Hai-Feng

2009-08-05

Kinase-inducible domain (KID) as transcriptional activator can stimulate target gene expression in signal transduction by associating with KID interacting domain (KIX). NMR spectra suggest that apo-KID is an unstructured protein. After post-translational modification by phosphorylation, KID undergoes a transition from disordered to well folded protein upon binding to KIX. However, the mechanism of folding coupled to binding is poorly understood. To get an insight into the mechanism, we have performed ten trajectories of explicit-solvent molecular dynamics (MD) for both bound and apo phosphorylated KID (pKID). Ten MD simulations are sufficient to capture the average properties in the protein folding and unfolding. Room-temperature MD simulations suggest that pKID becomes more rigid and stable upon the KIX-binding. Kinetic analysis of high-temperature MD simulations shows that bound pKID and apo-pKID unfold via a three-state and a two-state process, respectively. Both kinetics and free energy landscape analyses indicate that bound pKID folds in the order of KIX access, initiation of pKID tertiary folding, folding of helix alpha(B), folding of helix alpha(A), completion of pKID tertiary folding, and finalization of pKID-KIX binding. Our data show that the folding pathways of apo-pKID are different from the bound state: the foldings of helices alpha(A) and alpha(B) are swapped. Here we also show that Asn139, Asp140 and Leu141 with large Phi-values are key residues in the folding of bound pKID. Our results are in good agreement with NMR experimental observations and provide significant insight into the general mechanisms of binding induced protein folding and other conformational adjustment in post-translational modification.

Base-Pairing Energies of Proton-Bound Dimers and Proton Affinities of 1-Methyl-5-Halocytosines: Implications for the Effects of Halogenation on the Stability of the DNA i-Motif

NASA Astrophysics Data System (ADS)

Yang, Bo; Wu, R. R.; Rodgers, M. T.

2015-09-01

(CCG)n•(CGG)n trinucleotide repeats have been found to be associated with fragile X syndrome, the most widespread inherited cause of mental retardation in humans. The (CCG)n•(CGG)n repeats adopt i-motif conformations that are preferentially stabilized by base-pairing interactions of noncanonical proton-bound dimers of cytosine (C+•C). Halogenated cytosine residues are one form of DNA damage that may be important in altering the structure and stability of DNA or DNA-protein interactions and, hence, regulate gene expression. Previously, we investigated the effects of 5-halogenation and 1-methylation of cytosine on the base-pairing energies (BPEs) using threshold collision-induced dissociation (TCID) techniques. In the present study, we extend our work to include proton-bound homo- and heterodimers of cytosine, 1-methyl-5-fluorocytosine, and 1-methyl-5-bromocytosine. All modifications examined here are found to produce a decrease in the BPEs. However, the BPEs of all of the proton-bound dimers examined significantly exceed those of Watson-Crick G•C, neutral C•C base pairs, and various methylated variants such that DNA i-motif conformations should still be preserved in the presence of these modifications. The proton affinities (PAs) of the halogenated cytosines are also obtained from the experimental data by competitive analysis of the primary dissociation pathways that occur in parallel for the proton-bound heterodimers. 5-Halogenation leads to a decrease in the N3 PA of cytosine, whereas 1-methylation leads to an increase in the N3 PA. Thus, the 1-methyl-5-halocytosines exhibit PAs that are intermediate.

Reconstituted High-Density Lipoprotein Containing Human Growth Hormone-1 Shows Potent Tissue Regeneration Activity with Enhancement of Anti-Oxidant and Anti-Atherosclerotic Activities.

PubMed

Lee, Eun-Young; Kim, So-Hee; Cho, Kyung-Hyun

2015-06-01

Human growth hormone-1 (GH-1), somatotropin, is a peptide hormone that stimulates cell division in tissues such as bone and cartilage. To compare physiological activities in lipid-free and lipid-bound states, we expressed and incorporated GH-1 in reconstituted high-density lipoprotein (rHDL). GH-1 was expressed and purified using the pET30(a) vector and an Escherichia coli expression system. Purified GH-1 (at least 98% purity, 23 kD) was characterized and synthesized with apolipoproteinA-I (apoA-I), 1-palmitoyl-2-oleoyl-phosphatidylcholine (POPC), and cholesterol. Secondary structure analysis of GH-1 revealed 54% α-helical content in a lipid-free state and 65% α-helical content in a lipid-bound state along with blue-shifted tryptophan movement (around 2 nm). GH-1 caused less uptake of oxidized low-density lipoprotein (oxLDL) into macrophages and inhibited senescence of dermal cells in a dose-dependent manner. GH-1 in a lipid-bound state exerted stronger inhibitory activity than in a lipid-free state, indicating improved anti-atherosclerotic activity due to the lipid formulation. In a fin regeneration experiment using zebrafish (17 weeks old, n=9), GH-1 showed its highest regeneration speed without any side effects. GH-1-rHDL containing apoA-I showed 2.3-fold and 1.6-fold higher regeneration speeds than lipid-free GH-1 (in native state) and lipid-bound GH-1, respectively. Incorporation of GH-1 and apoA-I in HDL enhanced tissue regeneration activity of amputated tail fin, indicating a synergetic effect between GH-1 and apoA-I in a lipid-bound state.

Impact of Bounded Noise and Rewiring on the Formation and Instability of Spiral Waves in a Small-World Network of Hodgkin-Huxley Neurons.

PubMed

Yao, Yuangen; Deng, Haiyou; Ma, Chengzhang; Yi, Ming; Ma, Jun

2017-01-01

Spiral waves are observed in the chemical, physical and biological systems, and the emergence of spiral waves in cardiac tissue is linked to some diseases such as heart ventricular fibrillation and epilepsy; thus it has importance in theoretical studies and potential medical applications. Noise is inevitable in neuronal systems and can change the electrical activities of neuron in different ways. Many previous theoretical studies about the impacts of noise on spiral waves focus an unbounded Gaussian noise and even colored noise. In this paper, the impacts of bounded noise and rewiring of network on the formation and instability of spiral waves are discussed in small-world (SW) network of Hodgkin-Huxley (HH) neurons through numerical simulations, and possible statistical analysis will be carried out. Firstly, we present SW network of HH neurons subjected to bounded noise. Then, it is numerically demonstrated that bounded noise with proper intensity σ, amplitude A, or frequency f can facilitate the formation of spiral waves when rewiring probability p is below certain thresholds. In other words, bounded noise-induced resonant behavior can occur in the SW network of neurons. In addition, rewiring probability p always impairs spiral waves, while spiral waves are confirmed to be robust for small p, thus shortcut-induced phase transition of spiral wave with the increase of p is induced. Furthermore, statistical factors of synchronization are calculated to discern the phase transition of spatial pattern, and it is confirmed that larger factor of synchronization is approached with increasing of rewiring probability p, and the stability of spiral wave is destroyed.

DnaA protein DNA-binding domain binds to Hda protein to promote inter-AAA+ domain interaction involved in regulatory inactivation of DnaA.

PubMed

Keyamura, Kenji; Katayama, Tsutomu

2011-08-19

Chromosomal replication is initiated from the replication origin oriC in Escherichia coli by the active ATP-bound form of DnaA protein. The regulatory inactivation of DnaA (RIDA) system, a complex of the ADP-bound Hda and the DNA-loaded replicase clamp, represses extra initiations by facilitating DnaA-bound ATP hydrolysis, yielding the inactive ADP-bound form of DnaA. However, the mechanisms involved in promoting the DnaA-Hda interaction have not been determined except for the involvement of an interaction between the AAA+ domains of the two. This study revealed that DnaA Leu-422 and Pro-423 residues within DnaA domain IV, including a typical DNA-binding HTH motif, are specifically required for RIDA-dependent ATP hydrolysis in vitro and that these residues support efficient interaction with the DNA-loaded clamp·Hda complex and with Hda in vitro. Consistently, substitutions of these residues caused accumulation of ATP-bound DnaA in vivo and oriC-dependent inhibition of cell growth. Leu-422 plays a more important role in these activities than Pro-423. By contrast, neither of these residues is crucial for DNA replication from oriC, although they are highly conserved in DnaA orthologues. Structural analysis of a DnaA·Hda complex model suggested that these residues make contact with residues in the vicinity of the Hda AAA+ sensor I that participates in formation of a nucleotide-interacting surface. Together, the results show that functional DnaA-Hda interactions require a second interaction site within DnaA domain IV in addition to the AAA+ domain and suggest that these interactions are crucial for the formation of RIDA complexes that are active for DnaA-ATP hydrolysis.

DnaA Protein DNA-binding Domain Binds to Hda Protein to Promote Inter-AAA+ Domain Interaction Involved in Regulatory Inactivation of DnaA*

PubMed Central

Keyamura, Kenji; Katayama, Tsutomu

2011-01-01

Chromosomal replication is initiated from the replication origin oriC in Escherichia coli by the active ATP-bound form of DnaA protein. The regulatory inactivation of DnaA (RIDA) system, a complex of the ADP-bound Hda and the DNA-loaded replicase clamp, represses extra initiations by facilitating DnaA-bound ATP hydrolysis, yielding the inactive ADP-bound form of DnaA. However, the mechanisms involved in promoting the DnaA-Hda interaction have not been determined except for the involvement of an interaction between the AAA+ domains of the two. This study revealed that DnaA Leu-422 and Pro-423 residues within DnaA domain IV, including a typical DNA-binding HTH motif, are specifically required for RIDA-dependent ATP hydrolysis in vitro and that these residues support efficient interaction with the DNA-loaded clamp·Hda complex and with Hda in vitro. Consistently, substitutions of these residues caused accumulation of ATP-bound DnaA in vivo and oriC-dependent inhibition of cell growth. Leu-422 plays a more important role in these activities than Pro-423. By contrast, neither of these residues is crucial for DNA replication from oriC, although they are highly conserved in DnaA orthologues. Structural analysis of a DnaA·Hda complex model suggested that these residues make contact with residues in the vicinity of the Hda AAA+ sensor I that participates in formation of a nucleotide-interacting surface. Together, the results show that functional DnaA-Hda interactions require a second interaction site within DnaA domain IV in addition to the AAA+ domain and suggest that these interactions are crucial for the formation of RIDA complexes that are active for DnaA-ATP hydrolysis. PMID:21708944

Plasma DNA aberrations in systemic lupus erythematosus revealed by genomic and methylomic sequencing

PubMed Central

Chan, Rebecca W. Y.; Jiang, Peiyong; Peng, Xianlu; Tam, Lai-Shan; Liao, Gary J. W.; Li, Edmund K. M.; Wong, Priscilla C. H.; Sun, Hao; Chan, K. C. Allen; Chiu, Rossa W. K.; Lo, Y. M. Dennis

2014-01-01

We performed a high-resolution analysis of the biological characteristics of plasma DNA in systemic lupus erythematosus (SLE) patients using massively parallel genomic and methylomic sequencing. A number of plasma DNA abnormalities were found. First, aberrations in measured genomic representations (MGRs) were identified in the plasma DNA of SLE patients. The extent of the aberrations in MGRs correlated with anti-double–stranded DNA (anti-dsDNA) antibody level. Second, the plasma DNA of active SLE patients exhibited skewed molecular size-distribution profiles with a significantly increased proportion of short DNA fragments. The extent of plasma DNA shortening in SLE patients correlated with the SLE disease activity index (SLEDAI) and anti-dsDNA antibody level. Third, the plasma DNA of active SLE patients showed decreased methylation densities. The extent of hypomethylation correlated with SLEDAI and anti-dsDNA antibody level. To explore the impact of anti-dsDNA antibody on plasma DNA in SLE, a column-based protein G capture approach was used to fractionate the IgG-bound and non–IgG-bound DNA in plasma. Compared with healthy individuals, SLE patients had higher concentrations of IgG-bound DNA in plasma. More IgG binding occurs at genomic locations showing increased MGRs. Furthermore, the IgG-bound plasma DNA was shorter in size and more hypomethylated than the non–IgG-bound plasma DNA. These observations have enhanced our understanding of the spectrum of plasma DNA aberrations in SLE and may provide new molecular markers for SLE. Our results also suggest that caution should be exercised when interpreting plasma DNA-based noninvasive prenatal testing and cancer testing conducted for SLE patients. PMID:25427797

Theranostic Gd(III)-lipid microbubbles for MRI-guided focused ultrasound surgery.

PubMed

Feshitan, Jameel A; Vlachos, Fotis; Sirsi, Shashank R; Konofagou, Elisa E; Borden, Mark A

2012-01-01

We have synthesized a biomaterial consisting of Gd(III) ions chelated to lipid-coated, size-selected microbubbles for utility in both magnetic resonance and ultrasound imaging. The macrocyclic ligand DOTA-NHS was bound to PE headgroups on the lipid shell of pre-synthesized microbubbles. Gd(III) was then chelated to DOTA on the microbubble shell. The reaction temperature was optimized to increase the rate of Gd(III) chelation while maintaining microbubble stability. ICP-OES analysis of the microbubbles determined a surface density of 7.5 × 10(5) ± 3.0 × 10(5) Gd(III)/μm(2) after chelation at 50 °C. The Gd(III)-bound microbubbles were found to be echogenic in vivo during high-frequency ultrasound imaging of the mouse kidney. The Gd(III)-bound microbubbles also were characterized by magnetic resonance imaging (MRI) at 9.4 T by a spin-echo technique and, surprisingly, both the longitudinal and transverse proton relaxation rates were found to be roughly equal to that of no-Gd(III) control microbubbles and saline. However, the relaxation rates increased significantly, and in a dose-dependent manner, after sonication was used to fragment the Gd(III)-bound microbubbles into non-gas-containing lipid bilayer remnants. The longitudinal (r(1)) and transverse (r(2)) molar relaxivities were 4.0 ± 0.4 and 120 ± 18 mM(-1)s(-1), respectively, based on Gd(III) content. The Gd(III)-bound microbubbles may find application in the measurement of cavitation events during MRI-guided focused ultrasound therapy and to track the biodistribution of shell remnants. Copyright © 2011 Elsevier Ltd. All rights reserved.

Porous medium convection at large Rayleigh number: Studies of coherent structure, transport, and reduced dynamics

NASA Astrophysics Data System (ADS)

Wen, Baole

Buoyancy-driven convection in fluid-saturated porous media is a key environmental and technological process, with applications ranging from carbon dioxide storage in terrestrial aquifers to the design of compact heat exchangers. Porous medium convection is also a paradigm for forced-dissipative infinite-dimensional dynamical systems, exhibiting spatiotemporally chaotic dynamics if not "true" turbulence. The objective of this dissertation research is to quantitatively characterize the dynamics and heat transport in two-dimensional horizontal and inclined porous medium convection between isothermal plane parallel boundaries at asymptotically large values of the Rayleigh number Ra by investigating the emergent, quasi-coherent flow. This investigation employs a complement of direct numerical simulations (DNS), secondary stability and dynamical systems theory, and variational analysis. The DNS confirm the remarkable tendency for the interior flow to self-organize into closely-spaced columnar plumes at sufficiently large Ra (up to Ra ≃ 105), with more complex spatiotemporal features being confined to boundary layers near the heated and cooled walls. The relatively simple form of the interior flow motivates investigation of unstable steady and time-periodic convective states at large Ra as a function of the domain aspect ratio L. To gain insight into the development of spatiotemporally chaotic convection, the (secondary) stability of these fully nonlinear states to small-amplitude disturbances is investigated using a spatial Floquet analysis. The results indicate that there exist two distinct modes of instability at large Ra: a bulk instability mode and a wall instability mode. The former usually is excited by long-wavelength disturbances and is generally much weaker than the latter. DNS, strategically initialized to investigate the fully nonlinear evolution of the most dangerous secondary instability modes, suggest that the (long time) mean inter-plume spacing in statistically-steady porous medium convection results from an interplay between the competing effects of these two types of instability. Upper bound analysis is then employed to investigate the dependence of the heat transport enhancement factor, i.e. the Nusselt number Nu, on Ra and L. To solve the optimization problems arising from the "background field" upper-bound variational analysis, a novel two-step algorithm in which time is introduced into the formulation is developed. The new algorithm obviates the need for numerical continuation, thereby enabling the best available bounds to be computed up to Ra ≈ 2.65 x 104. A mathematical proof is given to demonstrate that the only steady state to which this numerical algorithm can converge is the required global optimal of the variational problem. Using this algorithm, the dependence of the bounds on L( Ra) is explored, and a "minimal flow unit" is identified. Finally, the upper bound variational methodology is also shown to yield quantitatively useful predictions of Nu and to furnish a functional basis that is naturally adapted to the boundary layer dynamics at large Ra..

Synergistic Allosteric Mechanism of Fructose-1,6-bisphosphate and Serine for Pyruvate Kinase M2 via Dynamics Fluctuation Network Analysis.

PubMed

Yang, Jingxu; Liu, Hao; Liu, Xiaorui; Gu, Chengbo; Luo, Ray; Chen, Hai-Feng

2016-06-27

Pyruvate kinase M2 (PKM2) plays a key role in tumor metabolism and regulates the rate-limiting final step of glycolysis. In tumor cells, there are two allosteric effectors for PKM2: fructose-1,6-bisphosphate (FBP) and serine. However, the relationship between FBP and serine for allosteric regulation of PKM2 is unknown. Here we constructed residue/residue fluctuation correlation network based on all-atom molecular dynamics simulations to reveal the regulation mechanism. The results suggest that the correlation network in bound PKM2 is distinctly different from that in the free state, FBP/PKM2, or Ser/PKM2. The community network analysis indicates that the information can freely transfer from the allosteric sites of FBP and serine to the substrate site in bound PKM2, while there exists a bottleneck for information transfer in the network of the free state. Furthermore, the binding free energy between the substrate and PKM2 for bound PKM2 is significantly lower than either of FBP/PKM2 or Ser/PKM2. Thus, a hypothesis of "synergistic allosteric mechanism" is proposed for the allosteric regulation of FBP and serine. This hypothesis was further confirmed by the perturbational and mutational analyses of community networks and binding free energies. Finally, two possible synergistic allosteric pathways of FBP-K433-T459-R461-A109-V71-R73-MG2-OXL and Ser-I47-C49-R73-MG2-OXL were identified based on the shortest path algorithm and were confirmed by the network perturbation analysis. Interestingly, no similar pathways could be found in the free state. The process targeting on the allosteric pathways can better regulate the glycolysis of PKM2 and significantly inhibit the progression of tumor.

Surface chemistry of gold nanoparticles determines the biocorona composition impacting cellular uptake, toxicity and gene expression profiles in human endothelial cells.

PubMed

Chandran, Parwathy; Riviere, Jim E; Monteiro-Riviere, Nancy A

2017-05-01

This study investigated the role of nanoparticle size and surface chemistry on biocorona composition and its effect on uptake, toxicity and cellular responses in human umbilical vein endothelial cells (HUVEC), employing 40 and 80 nm gold nanoparticles (AuNP) with branched polyethyleneimine (BPEI), lipoic acid (LA) and polyethylene glycol (PEG) coatings. Proteomic analysis identified 59 hard corona proteins among the various AuNP, revealing largely surface chemistry-dependent signature adsorbomes exhibiting human serum albumin (HSA) abundance. Size distribution analysis revealed the relative instability and aggregation inducing potential of bare and corona-bound BPEI-AuNP, over LA- and PEG-AuNP. Circular dichroism analysis showed surface chemistry-dependent conformational changes of proteins binding to AuNP. Time-dependent uptake of bare, plasma corona (PC) and HSA corona-bound AuNP (HSA-AuNP) showed significant reduction in uptake with PC formation. Cell viability studies demonstrated dose-dependent toxicity of BPEI-AuNP. Transcriptional profiling studies revealed 126 genes, from 13 biological pathways, to be differentially regulated by 40 nm bare and PC-bound BPEI-AuNP (PC-BPEI-AuNP). Furthermore, PC formation relieved the toxicity of cationic BPEI-AuNP by modulating expression of genes involved in DNA damage and repair, heat shock response, mitochondrial energy metabolism, oxidative stress and antioxidant response, and ER stress and unfolded protein response cascades, which were aberrantly expressed in bare BPEI-AuNP-treated cells. NP surface chemistry is shown to play the dominant role over size in determining the biocorona composition, which in turn modulates cell uptake, and biological responses, consequently defining the potential safety and efficacy of nanoformulations.

Benchmarking hydrological model predictive capability for UK River flows and flood peaks.

NASA Astrophysics Data System (ADS)

Lane, Rosanna; Coxon, Gemma; Freer, Jim; Wagener, Thorsten

2017-04-01

Data and hydrological models are now available for national hydrological analyses. However, hydrological model performance varies between catchments, and lumped, conceptual models are not able to produce adequate simulations everywhere. This study aims to benchmark hydrological model performance for catchments across the United Kingdom within an uncertainty analysis framework. We have applied four hydrological models from the FUSE framework to 1128 catchments across the UK. These models are all lumped models and run at a daily timestep, but differ in the model structural architecture and process parameterisations, therefore producing different but equally plausible simulations. We apply FUSE over a 20 year period from 1988-2008, within a GLUE Monte Carlo uncertainty analyses framework. Model performance was evaluated for each catchment, model structure and parameter set using standard performance metrics. These were calculated both for the whole time series and to assess seasonal differences in model performance. The GLUE uncertainty analysis framework was then applied to produce simulated 5th and 95th percentile uncertainty bounds for the daily flow time-series and additionally the annual maximum prediction bounds for each catchment. The results show that the model performance varies significantly in space and time depending on catchment characteristics including climate, geology and human impact. We identify regions where models are systematically failing to produce good results, and present reasons why this could be the case. We also identify regions or catchment characteristics where one model performs better than others, and have explored what structural component or parameterisation enables certain models to produce better simulations in these catchments. Model predictive capability was assessed for each catchment, through looking at the ability of the models to produce discharge prediction bounds which successfully bound the observed discharge. These results improve our understanding of the predictive capability of simple conceptual hydrological models across the UK and help us to identify where further effort is needed to develop modelling approaches to better represent different catchment and climate typologies.

A case study to quantify prediction bounds caused by model-form uncertainty of a portal frame

NASA Astrophysics Data System (ADS)

Van Buren, Kendra L.; Hall, Thomas M.; Gonzales, Lindsey M.; Hemez, François M.; Anton, Steven R.

2015-01-01

Numerical simulations, irrespective of the discipline or application, are often plagued by arbitrary numerical and modeling choices. Arbitrary choices can originate from kinematic assumptions, for example the use of 1D beam, 2D shell, or 3D continuum elements, mesh discretization choices, boundary condition models, and the representation of contact and friction in the simulation. This work takes a step toward understanding the effect of arbitrary choices and model-form assumptions on the accuracy of numerical predictions. The application is the simulation of the first four resonant frequencies of a one-story aluminum portal frame structure under free-free boundary conditions. The main challenge of the portal frame structure resides in modeling the joint connections, for which different modeling assumptions are available. To study this model-form uncertainty, and compare it to other types of uncertainty, two finite element models are developed using solid elements, and with differing representations of the beam-to-column and column-to-base plate connections: (i) contact stiffness coefficients or (ii) tied nodes. Test-analysis correlation is performed to compare the lower and upper bounds of numerical predictions obtained from parametric studies of the joint modeling strategies to the range of experimentally obtained natural frequencies. The approach proposed is, first, to characterize the experimental variability of the joints by varying the bolt torque, method of bolt tightening, and the sequence in which the bolts are tightened. The second step is to convert what is learned from these experimental studies to models that "envelope" the range of observed bolt behavior. We show that this approach, that combines small-scale experiments, sensitivity analysis studies, and bounding-case models, successfully produces lower and upper bounds of resonant frequency predictions that match those measured experimentally on the frame structure. (Approved for unlimited, public release, LA-UR-13-27561).

Arabidopsis Type II Phosphatidylinositol 4-Kinase PI4Kγ5 Regulates Auxin Biosynthesis and Leaf Margin Development through Interacting with Membrane-Bound Transcription Factor ANAC078

PubMed Central

Tan, Shu-Tang; Xue, Hong-Wei

2016-01-01

Normal leaf margin development is important for leaf morphogenesis and contributes to diverse leaf shapes in higher plants. We here show the crucial roles of an atypical type II phosphatidylinositol 4-kinase, PI4Kγ5, in Arabidopsis leaf margin development. PI4Kγ5 presents a dynamics expression pattern along with leaf development and a T-DNA mutant lacking PI4Kγ5, pi4kγ5–1, presents serrated leaves, which is resulted from the accelerated cell division and increased auxin concentration at serration tips. Studies revealed that PI4Kγ5 interacts with and phosphorylates a membrane-bound NAC transcription factor, ANAC078. Previous studies demonstrated that membrane-bound transcription factors regulate gene transcription by undergoing proteolytic process to translocate into nucleus, and ANAC078 undergoes proteolysis by cleaving off the transmembrane region and carboxyl terminal. Western blot analysis indeed showed that ANAC078 deleting of carboxyl terminal is significantly reduced in pi4kγ5–1, indicating that PI4Kγ5 is important for the cleavage of ANAC078. This is consistent with the subcellular localization observation showing that fluorescence by GFP-ANAC078 is detected at plasma membrane but not nucleus in pi4kγ5–1 mutant and that expression of ANAC078 deleting of carboxyl terminal, driven by PI4Kγ5 promoter, could rescue the leaf serration defects of pi4kγ5–1. Further analysis showed that ANAC078 suppresses the auxin synthesis by directly binding and regulating the expression of auxin synthesis-related genes. These results indicate that PI4Kγ5 interacts with ANAC078 to negatively regulate auxin synthesis and hence influences cell proliferation and leaf development, providing informative clues for the regulation of in situ auxin synthesis and cell division, as well as the cleavage and functional mechanism of membrane-bound transcription factors. PMID:27529511

The conserved potassium channel filter can have distinct ion binding profiles: Structural analysis of rubidium, cesium, and barium binding in NaK2K

PubMed Central

Lam, Yee Ling; Zeng, Weizhong; Sauer, David Bryant

2014-01-01

Potassium channels are highly selective for K+ over the smaller Na+. Intriguingly, they are permeable to larger monovalent cations such as Rb+ and Cs+ but are specifically blocked by the similarly sized Ba2+. In this study, we used structural analysis to determine the binding profiles for these permeant and blocking ions in the selectivity filter of the potassium-selective NaK channel mutant NaK2K and also performed permeation experiments using single-channel recordings. Our data revealed that some ion binding properties of NaK2K are distinct from those of the canonical K+ channels KcsA and MthK. Rb+ bound at sites 1, 3, and 4 in NaK2K, as it does in KcsA. Cs+, however, bound predominantly at sites 1 and 3 in NaK2K, whereas it binds at sites 1, 3, and 4 in KcsA. Moreover, Ba2+ binding in NaK2K was distinct from that which has been observed in KcsA and MthK, even though all of these channels show similar Ba2+ block. In the presence of K+, Ba2+ bound to the NaK2K channel at site 3 in conjunction with a K+ at site 1; this led to a prolonged block of the channel (the external K+-dependent Ba2+ lock-in state). In the absence of K+, however, Ba2+ acts as a permeating blocker. We found that, under these conditions, Ba2+ bound at sites 1 or 0 as well as site 3, allowing it to enter the filter from the intracellular side and exit from the extracellular side. The difference in the Ba2+ binding profile in the presence and absence of K+ thus provides a structural explanation for the short and prolonged Ba2+ block observed in NaK2K. PMID:25024267

The conserved potassium channel filter can have distinct ion binding profiles: structural analysis of rubidium, cesium, and barium binding in NaK2K.

PubMed

Lam, Yee Ling; Zeng, Weizhong; Sauer, David Bryant; Jiang, Youxing

2014-08-01

Potassium channels are highly selective for K(+) over the smaller Na(+). Intriguingly, they are permeable to larger monovalent cations such as Rb(+) and Cs(+) but are specifically blocked by the similarly sized Ba(2+). In this study, we used structural analysis to determine the binding profiles for these permeant and blocking ions in the selectivity filter of the potassium-selective NaK channel mutant NaK2K and also performed permeation experiments using single-channel recordings. Our data revealed that some ion binding properties of NaK2K are distinct from those of the canonical K(+) channels KcsA and MthK. Rb(+) bound at sites 1, 3, and 4 in NaK2K, as it does in KcsA. Cs(+), however, bound predominantly at sites 1 and 3 in NaK2K, whereas it binds at sites 1, 3, and 4 in KcsA. Moreover, Ba(2+) binding in NaK2K was distinct from that which has been observed in KcsA and MthK, even though all of these channels show similar Ba(2+) block. In the presence of K(+), Ba(2+) bound to the NaK2K channel at site 3 in conjunction with a K(+) at site 1; this led to a prolonged block of the channel (the external K(+)-dependent Ba(2+) lock-in state). In the absence of K(+), however, Ba(2+) acts as a permeating blocker. We found that, under these conditions, Ba(2+) bound at sites 1 or 0 as well as site 3, allowing it to enter the filter from the intracellular side and exit from the extracellular side. The difference in the Ba(2+) binding profile in the presence and absence of K(+) thus provides a structural explanation for the short and prolonged Ba(2+) block observed in NaK2K. © 2014 Lam et al.

Magnetic resonance properties of Gd(III)-bound lipid-coated microbubbles and their cavitation fragments.

PubMed

Feshitan, Jameel A; Boss, Michael A; Borden, Mark A

2012-10-30

Gas-filled microbubbles are potentially useful theranostic agents for magnetic resonance imaging-guided focused ultrasound surgery (MRIgFUS). Previously, MRI at 9.4 T was used to measure the contrast properties of lipid-coated microbubbles with gadolinium (Gd(III)) bound to lipid headgroups, which revealed that the longitudinal molar relaxivity (r(1)) increased after microbubble fragmentation. This behavior was attributed to an increase in water proton exchange with the Gd(III)-bound lipid fragments caused by an increase in the lipid headgroup area that accompanied the lipid shell monolayer-to-bilayer transition. In this article, we explore this mechanism by comparing the changes in r(1) and its transverse counterpart, r(2)*, after the fragmentation of microbubbles consisting of Gd(III) bound to two different locations on the lipid monolayer shell: the phosphatidylethanolamine (PE) lipid headgroup region or the distal region of the poly(ethylene glycol) (PEG) brush. Nuclear magnetic resonance (NMR) at 1.5 T was used to measure the contrast properties of the various microbubble constructs because this is the most common field strength used in clinical MRI. Results for the lipid-headgroup-labeled Gd(III) microbubbles revealed that r(1) increased after microbubble fragmentation, whereas r(2)* was unchanged. An analysis of PEG-labeled Gd(III) microbubbles revealed that both r(1) and r(2)* decreased after microbubble fragmentation. Further analysis revealed that the microbubble gas core enhanced the transverse MR signal (T(2)*) in a concentration-dependent manner but minimally affected the longitudinal (T(1)) signal. These results illustrate a new method for the use of NMR to measure the biomembrane packing structure and suggest that two mechanisms, proton-exchange enhancement by lipid membrane relaxation and magnetic field inhomogeneity imposed by the gas/liquid interface, may be used to detect and differentiate Gd(III)-labeled microbubbles and their cavitation fragments with MRI.

Combined density functional theory (DFT) and continuum calculations of pKa in carbonic anhydrase.

PubMed

Jiao, Dian; Rempe, Susan B

2012-07-31

Deprotonation of zinc-bound water in carbonic anhydrase II is the rate-limiting step in the catalysis of carbon dioxide between gas- and water-soluble forms. To understand the factors determining the extent of dissociation, or pK(a), of the zinc-bound water, we apply quantum chemistry calculations to the active site coupled with a continuum model of the surrounding environment. Experimentally determined changes in pK(a) associated with mutations of the active site are well reproduced by this approach. Analysis of the active site structure and charge/dipole values provides evidence that mutations cause changes in both conformation of the active site structure and local polarization, which accounts for the shifts in pK(a). More specifically, the shifts in pK(a) correlate with the dipole moments of the zinc-bound water upon deprotonation. The data further support the conclusion that the distinct pK(a) values found in mutations of the same type, but applied to different sites, result from asymmetric ligation and different electronic environments around the zinc ion.

Morphology and vulcanizate properties of ethylene-propylene-diene rubber/ styrene-butadiene rubber blends.

PubMed

Park, Gayoung; Kim, Yun Hee; Kim, Dong Soo; Ko, Young Chun

2010-05-01

Morphology and vulcanizate properties of EPDM/SBR blends were investigated. AAHR (a mixture of aliphatic and aromatic hydrocarbon resins) was used as a compatibilizer and bis(3-triethoxysilylpropyl)tetrasulfide (TESPT) was used as a coupling agent. The vulcanizate properties and the morphological studies revealed that EPDM and SBR were incompatible, and the addition of AAHR was very effective to enhance the compatibility between EPDM and SBR. The weight percent of bound rubbers was increased with increasing SBR contents. The addition of an AAHR increased the amounts of bound rubbers, and hence the vulcanizate properties such as tear strength and fatigue resistance of the EPDM/SBR blends were improved. The dynamic mechanical analysis and the morphological studies revealed that the addition of TESPT increased the weight of bound rubbers and provided better dispersion of carbon black, resulting in good mechanical properties such as tear strength and fatigue resistance of the vulcanized EPDM/SBR blends. The smaller particle of zinc oxide (i.e., 50 nm > 100 nm > 1000 nm) yielded to the better blending properties of the polymer blend.

Monitoring of electrokinetic removal of heavy metals in tailing-soils using sequential extraction analysis.

PubMed

Kim, S O; Kim, K W

2001-08-17

This research focused on the monitoring of the electrokinetic removal of heavy metals from tailing-soils, and emphasizes the dependency of removal efficiencies upon their physico-chemical states, as demonstrated by the different extraction methods adopted, which included aqua regia and sequential extraction. The tailing-soils examined contained high concentrations of target metal contaminants (Cd=179mgkg(-1), Cu=207mgkg(-1), Pb=5175mgkg(-1), and Zn=7600mgkg(-1)). The removal efficiencies of the different metals were significantly influenced by their speciations, mobilities and affinities (adsorption capacities) in the soil matrix. The removal efficiencies of mobile and weakly bound fractions, such as the exchangeable fraction were more than 90% by electrokinetic treatment, but strongly bound fractions, such as the organically bound species and residual fraction were not significantly removed (less than 30% removal efficiencies). In accordance with the general sequence of mobilities of heavy metals in soils, the removal efficiencies of more mobile heavy metals (Cd, Cu, and Zn) were higher than that of less mobile heavy metal (Pb).