Characterization of the Heme Pocket Structure and Ligand Binding Kinetics of Non-symbiotic Hemoglobins from the Model Legume Lotus japonicus.

PubMed

Calvo-Begueria, Laura; Cuypers, Bert; Van Doorslaer, Sabine; Abbruzzetti, Stefania; Bruno, Stefano; Berghmans, Herald; Dewilde, Sylvia; Ramos, Javier; Viappiani, Cristiano; Becana, Manuel

2017-01-01

Plant hemoglobins (Hbs) are found in nodules of legumes and actinorhizal plants but also in non-symbiotic organs of monocots and dicots. Non-symbiotic Hbs (nsHbs) have been classified into two phylogenetic groups. Class 1 nsHbs show an extremely high O 2 affinity and are induced by hypoxia and nitric oxide (NO), whereas class 2 nsHbs have moderate O 2 affinity and are induced by cold and cytokinins. The functions of nsHbs are still unclear, but some of them rely on the capacity of hemes to bind diatomic ligands and catalyze the NO dioxygenase (NOD) reaction (oxyferrous Hb + NO → ferric Hb + nitrate). Moreover, NO may nitrosylate Cys residues of proteins. It is therefore important to determine the ligand binding properties of the hemes and the role of Cys residues. Here, we have addressed these issues with the two class 1 nsHbs (LjGlb1-1 and LjGlb1-2) and the single class 2 nsHb (LjGlb2) of Lotus japonicus , which is a model legume used to facilitate the transfer of genetic and biochemical information into crops. We have employed carbon monoxide (CO) as a model ligand and resonance Raman, laser flash photolysis, and stopped-flow spectroscopies to unveil major differences in the heme environments and ligand binding kinetics of the three proteins, which suggest non-redundant functions. In the deoxyferrous state, LjGlb1-1 is partially hexacoordinate, whereas LjGlb1-2 shows complete hexacoordination (behaving like class 2 nsHbs) and LjGlb2 is mostly pentacoordinate (unlike other class 2 nsHbs). LjGlb1-1 binds CO very strongly by stabilizing it through hydrogen bonding, but LjGlb1-2 and LjGlb2 show lower CO stabilization. The changes in CO stabilization would explain the different affinities of the three proteins for gaseous ligands. These affinities are determined by the dissociation rates and follow the order LjGlb1-1 > LjGlb1-2 > LjGlb2. Mutations LjGlb1-1 C78S and LjGlb1-2 C79S caused important alterations in protein dynamics and stability, indicating a structural role of those Cys residues, whereas mutation LjGlb1-1 C8S had a smaller effect. The three proteins and their mutant derivatives exhibited similarly high rates of NO consumption, which were due to NOD activity of the hemes and not to nitrosylation of Cys residues.

Characterization of the Heme Pocket Structure and Ligand Binding Kinetics of Non-symbiotic Hemoglobins from the Model Legume Lotus japonicus

PubMed Central

Calvo-Begueria, Laura; Cuypers, Bert; Van Doorslaer, Sabine; Abbruzzetti, Stefania; Bruno, Stefano; Berghmans, Herald; Dewilde, Sylvia; Ramos, Javier; Viappiani, Cristiano; Becana, Manuel

2017-01-01

Plant hemoglobins (Hbs) are found in nodules of legumes and actinorhizal plants but also in non-symbiotic organs of monocots and dicots. Non-symbiotic Hbs (nsHbs) have been classified into two phylogenetic groups. Class 1 nsHbs show an extremely high O2 affinity and are induced by hypoxia and nitric oxide (NO), whereas class 2 nsHbs have moderate O2 affinity and are induced by cold and cytokinins. The functions of nsHbs are still unclear, but some of them rely on the capacity of hemes to bind diatomic ligands and catalyze the NO dioxygenase (NOD) reaction (oxyferrous Hb + NO → ferric Hb + nitrate). Moreover, NO may nitrosylate Cys residues of proteins. It is therefore important to determine the ligand binding properties of the hemes and the role of Cys residues. Here, we have addressed these issues with the two class 1 nsHbs (LjGlb1-1 and LjGlb1-2) and the single class 2 nsHb (LjGlb2) of Lotus japonicus, which is a model legume used to facilitate the transfer of genetic and biochemical information into crops. We have employed carbon monoxide (CO) as a model ligand and resonance Raman, laser flash photolysis, and stopped-flow spectroscopies to unveil major differences in the heme environments and ligand binding kinetics of the three proteins, which suggest non-redundant functions. In the deoxyferrous state, LjGlb1-1 is partially hexacoordinate, whereas LjGlb1-2 shows complete hexacoordination (behaving like class 2 nsHbs) and LjGlb2 is mostly pentacoordinate (unlike other class 2 nsHbs). LjGlb1-1 binds CO very strongly by stabilizing it through hydrogen bonding, but LjGlb1-2 and LjGlb2 show lower CO stabilization. The changes in CO stabilization would explain the different affinities of the three proteins for gaseous ligands. These affinities are determined by the dissociation rates and follow the order LjGlb1-1 > LjGlb1-2 > LjGlb2. Mutations LjGlb1-1 C78S and LjGlb1-2 C79S caused important alterations in protein dynamics and stability, indicating a structural role of those Cys residues, whereas mutation LjGlb1-1 C8S had a smaller effect. The three proteins and their mutant derivatives exhibited similarly high rates of NO consumption, which were due to NOD activity of the hemes and not to nitrosylation of Cys residues. PMID:28421084

Inhibition of an Aquatic Rhabdovirus Demonstrates Promise of a Broad-Spectrum Antiviral for Use in Aquaculture.

PubMed

Balmer, Bethany F; Powers, Rachel L; Zhang, Ting-Hu; Lee, Jihye; Vigant, Frederic; Lee, Benhur; Jung, Michael E; Purcell, Maureen K; Snekvik, Kevin; Aguilar, Hector C

2017-02-15

Many enveloped viruses cause devastating disease in aquaculture, resulting in significant economic impact. LJ001 is a broad-spectrum antiviral compound that inhibits enveloped virus infections by specifically targeting phospholipids in the lipid bilayer via the production of singlet oxygen ( 1 O 2 ). This stabilizes positive curvature and decreases membrane fluidity, which inhibits virus-cell membrane fusion during viral entry. Based on data from previous mammalian studies and the requirement of light for the activation of LJ001, we hypothesized that LJ001 may be useful as a preventative and/or therapeutic agent for infections by enveloped viruses in aquaculture. Here, we report that LJ001 was more stable with a prolonged inhibitory half-life at relevant aquaculture temperatures (15°C), than in mammalian studies at 37°C. When LJ001 was preincubated with our model virus, infectious hematopoietic necrosis virus (IHNV), infectivity was significantly inhibited in vitro (using the epithelioma papulosum cyprini [EPC] fish cell line) and in vivo (using rainbow trout fry) in a dose-dependent and time-dependent manner. While horizontal transmission of IHNV in a static cohabitation challenge model was reduced by LJ001, transmission was not completely blocked at established antiviral doses. Therefore, LJ001 may be best suited as a therapeutic for aquaculture settings that include viral infections with lower virus-shedding rates than IHNV or where higher viral titers are required to initiate infection of naive fish. Importantly, our data also suggest that LJ001-inactivated IHNV elicited an innate immune response in the rainbow trout host, making LJ001 potentially useful for future vaccination approaches. Viral diseases in aquaculture are challenging because there are few preventative measures and/or treatments. Broad-spectrum antivirals are highly sought after and studied because they target common components of viruses. In our studies, we used LJ001, a broad-spectrum antiviral compound that specifically inhibits enveloped viruses. We used the fish rhabdovirus infectious hematopoietic necrosis virus (IHNV) as a model to study aquatic enveloped virus diseases and their inhibition. We demonstrated inhibition of IHNV by LJ001 both in cell culture as well as in live fish. Additionally, we showed that LJ001 inhibited the transmission of IHNV from infected fish to healthy fish, which lays the groundwork for using LJ001 as a possible therapeutic for aquatic viruses. Our results also suggest that virus inactivated by LJ001 induces an immune response, showing potential for future preventative (e.g., vaccine) applications. Copyright © 2017 American Society for Microbiology.

Study of nsLTPs in Lotus japonicus genome reveal a specific epidermal cell member (LjLTP10) regulated by drought stress in aerial organs with a putative role in cutin formation.

PubMed

Tapia, G; Morales-Quintana, L; Parra, C; Berbel, A; Alcorta, M

2013-07-01

The cuticle is the first defense against pathogens and the second way water is lost in plants. Hydrophobic layers covering aerial plant organs from primary stages of development form cuticle, including major classes of aliphatic wax components and cutin. Extensive research has been conducted to understand cuticle formation mechanisms in plants. However, many questions remain unresolved in the transport of lipid components to form cuticle. Database studies of the Lotus japonicus genome have revealed the presence of 24 sequences classified as putative non-specific lipid transfer proteins (nsLTPs), which were classified in seven groups; four groups were selected because of their expression in aerial organs. LjLTP8 forms a cluster with DIR1 in Arabidopsis thaliana while LjLTP6, LjLTP9, and LjLTP10 were grouped as type I LTPs. In silico studies showed a high level of structural conservation, and substrate affinity studies revealed palmitoyl-CoA as the most likely ligand for these LTPs, although the Lyso-Myristoyl Phosphatidyl Choline, Lyso-myristoyl phosphatidyl glycerol, and Lyso-stearyl phosphatidyl choline ligands also showed a high affinity with the proteins. The LjLTP6 and LjLTP10 genes were expressed in both the stems and the leaves under normal conditions and were highly induced during drought stress. LjLTP10 was the most induced gene in shoots during drought. The gene was only expressed in the epidermal cells of stems, primordial leaves, and young leaflets. LjLTP10 was positively regulated by MeJA but repressed by abscisic acid (ABA), ethylene, and H2O2, while LjLTP6 was weakly induced by MeJA, repressed by H2O2, and not affected by ABA and ethylene. We suggest that LjLTP10 is involved in plant development of stem and leaf cuticle, but also in acclimation to tolerate drought stress in L. japonicus.

Function of glutathione peroxidases in legume root nodules.

PubMed

Matamoros, Manuel A; Saiz, Ana; Peñuelas, Maria; Bustos-Sanmamed, Pilar; Mulet, Jose M; Barja, Maria V; Rouhier, Nicolas; Moore, Marten; James, Euan K; Dietz, Karl-Josef; Becana, Manuel

2015-05-01

Glutathione peroxidases (Gpxs) are antioxidant enzymes not studied so far in legume nodules, despite the fact that reactive oxygen species are produced at different steps of the symbiosis. The function of two Gpxs that are highly expressed in nodules of the model legume Lotus japonicus was examined. Gene expression analysis, enzymatic and nitrosylation assays, yeast cell complementation, in situ mRNA hybridization, immunoelectron microscopy, and LjGpx-green fluorescent protein (GFP) fusions were used to characterize the enzymes and to localize each transcript and isoform in nodules. The LjGpx1 and LjGpx3 genes encode thioredoxin-dependent phospholipid hydroperoxidases and are differentially regulated in response to nitric oxide (NO) and hormones. LjGpx1 and LjGpx3 are nitrosylated in vitro or in plants treated with S-nitrosoglutathione (GSNO). Consistent with the modification of the peroxidatic cysteine of LjGpx3, in vitro assays demonstrated that this modification results in enzyme inhibition. The enzymes are highly expressed in the infected zone, but the LjGpx3 mRNA is also detected in the cortex and vascular bundles. LjGpx1 is localized to the plastids and nuclei, and LjGpx3 to the cytosol and endoplasmic reticulum. Based on yeast complementation experiments, both enzymes protect against oxidative stress, salt stress, and membrane damage. It is concluded that both LjGpxs perform major antioxidative functions in nodules, preventing lipid peroxidation and other oxidative processes at different subcellular sites of vascular and infected cells. The enzymes are probably involved in hormone and NO signalling, and may be regulated through nitrosylation of the peroxidatic cysteine essential for catalytic function. © The Author 2015. Published by Oxford University Press on behalf of the Society for Experimental Biology.

A molecular dynamics study on the role of attractive and repulsive forces in internal energy, internal pressure and structure of dense fluids

NASA Astrophysics Data System (ADS)

Goharshadi, Elaheh K.; Morsali, Ali; Mansoori, G. Ali

2007-01-01

Isotherms of experimental data of internal pressure of dense fluids versus molar volume, Vm are shown to have each a maximum point at a Vmax below the critical molar volume. In this study, we investigated the role of attractive and repulsive intermolecular energies on this behavior using a molecular dynamics simulation technique. In the simulation, we choose the Lennard-Jones (LJ) intermolecular potential energy function. The LJ potential is known to be an effective potential representing a statistical average of the true pair and many-body interactions in simple molecular systems. The LJ potential function is divided into attractive and repulsive parts. MD calculations have produced internal energy, potential energy, transitional kinetic energy, and radial distribution function (RDF) for argon at 180 K and 450 K using LJ potential, LJ repulsive, and LJ attractive parts. It is shown that the LJ potential function is well capable of predicting the inflection point in the internal energy-molar volume curve as well as maximum point in the internal pressure-molar volume curve. It is also shown that at molar volumes higher than Vmax, the attractive forces have strong influence on determination of internal energy and internal pressure. At volumes lower than Vmax, neither repulsive nor attractive forces are dominating. Also, the coincidence between RDFs resulting from LJ potential and repulsive parts of LJ potential improves as molar volume approaches Vmax from high molar volumes. The coincidence becomes complete at Vmax ⩾ V.

Implementation of the Thin Layer Agar Method for Diagnosis of Smear-Negative Pulmonary Tuberculosis in a Setting with a High Prevalence of Human Immunodeficiency Virus Infection in Homa Bay, Kenya▿ †

PubMed Central

Martin, Anandi; Munga Waweru, Peter; Babu Okatch, Fred; Amondi Ouma, Naureen; Bonte, Laurence; Varaine, Francis; Portaels, Françoise

2009-01-01

The objective of this study was to evaluate the performance of a low-cost method, the thin layer agar (TLA) method, for the diagnosis of smear-negative patients. This prospective study was performed in Homa Bay District Hospital in Kenya. Out of 1,584 smear-negative sputum samples, 212 (13.5%) were positive by culture in Löwenstein-Jensen medium (LJ) and 220 (14%) were positive by the TLA method. The sensitivities of LJ and TLA were 71% and 74%, respectively. TLA could become an affordable method for the diagnosis of smear-negative tuberculosis in resource-limited settings, with results available within 2 weeks. PMID:19494065

The Role of MGIT 960 Culture Medium in Resolving the Diagnostic Dilemma for Genital Tuberculosis Patients Presenting with Infertility.

PubMed

Jindal, Nidhi; Gainder, Shalini; Dhaliwal, Lakhbir Kaur; Sethi, Sunil

2018-04-01

The purpose of this study was to assess the utility of Mycobacteria Growth Indicator Tube (MGIT) 960 culture medium for the diagnosis of genital tuberculosis (GTB) in women presenting with infertility. The premenstrual endometrial biopsy samples in 300 women presenting with primary and secondary infertility were subjected to AFB smear method, histopathological examination and culture on LJ and MGIT 960 media. Detection rates were compared for diagnostic modalities and their combinations. In total, 30 cases were positive for genital tuberculosis by either of the four tests employed. The detection rates for AFB smear, MGIT culture, LJ culture and HPE were 50, 46.7, 3.3 and 33.3%, respectively. A combination of smear examination for AFB, MGIT 960 culture and histopathological examination was able to detect all the positive cases. A combination of MGIT and LJ media provided no added advantage over MGIT alone since the only case where LJ culture was positive had been detected by positive MGIT culture. In as many as five positive cases (16.7%), only MGIT culture was positive. The addition of MGIT 960 culture medium to routine battery of investigations in infertility patients significantly improves the diagnosis.

An energy-based perturbation and a taboo strategy for improving the searching ability of stochastic structural optimization methods

NASA Astrophysics Data System (ADS)

Cheng, Longjiu; Cai, Wensheng; Shao, Xueguang

2005-03-01

An energy-based perturbation and a new idea of taboo strategy are proposed for structural optimization and applied in a benchmark problem, i.e., the optimization of Lennard-Jones (LJ) clusters. It is proved that the energy-based perturbation is much better than the traditional random perturbation both in convergence speed and searching ability when it is combined with a simple greedy method. By tabooing the most wide-spread funnel instead of the visited solutions, the hit rate of other funnels can be significantly improved. Global minima of (LJ) clusters up to 200 atoms are found with high efficiency.

Functional characterization of an unusual phytochelatin synthase, LjPCS3, of Lotus japonicus.

PubMed

Ramos, Javier; Naya, Loreto; Gay, Marina; Abián, Joaquín; Becana, Manuel

2008-09-01

In plants and many other organisms, phytochelatin synthase (PCS) catalyzes the synthesis of phytochelatins from glutathione in the presence of certain metals and metalloids. We have used budding yeast (Saccharomyces cerevisiae) as a heterologous system to characterize two PCS proteins, LjPCS1 and LjPCS3, of the model legume Lotus japonicus. Initial experiments revealed that the metal tolerance of yeast cells in vivo depends on the concentrations of divalent cations in the growth medium. Detailed in vivo (intact cells) and in vitro (broken cells) assays of PCS activity were performed with yeast expressing the plant enzymes, and values of phytochelatin production for each metal tested were normalized with respect to those of cadmium to correct for the lower expression level of LjPCS3. Our results showed that lead was the best activator of LjPCS1 in the in vitro assay, whereas, for both assays, arsenic, iron, and aluminum were better activators of LjPCS3 and mercury was similarly active with the two enzymes. Most interestingly, zinc was a powerful activator, especially of LjPCS3, when assayed in vivo, whereas copper and silver were the strongest activators in the in vitro assay. We conclude that the in vivo and in vitro assays are useful and complementary to assess the response of LjPCS1 and LjPCS3 to a wide range of metals and that the differences in the C-terminal domains of the two proteins are responsible for their distinct expression levels or stabilities in heterologous systems and patterns of metal activation.

Biocontrol agent Bacillus amyloliquefaciens LJ02 induces systemic resistance against cucurbits powdery mildew.

PubMed

Li, Yunlong; Gu, Yilin; Li, Juan; Xu, Mingzhu; Wei, Qing; Wang, Yuanhong

2015-01-01

Powdery mildew is a fungal disease found in a wide range of plants and can significantly reduce crop yields. Bacterial strain LJ02 is a biocontrol agent (BCA) isolated from a greenhouse in Tianjin, China. In combination of morphological, physiological, biochemical and phylogenetic analyses, strain LJ02 was classified as a new member of Bacillus amyloliquefaciens. Greenhouse trials showed that LJ02 fermentation broth (LJ02FB) can effectively diminish the occurrence of cucurbits powdery mildew. When treated with LJ02FB, cucumber seedlings produced significantly elevated production of superoxide dismutase, peroxidase, polyphenol oxidase and phenylalanine ammonia lyase as compared to that of the control. We further confirmed that the production of free salicylic acid (SA) and expression of one pathogenesis-related (PR) gene PR-1 in cucumber leaves were markedly elevated after treating with LJ02FB, suggesting that SA-mediated defense response was stimulated. Moreover, LJ02FB-treated cucumber leaves could secrete resistance-related substances into rhizosphere that inhibit the germination of fungi spores and the growth of pathogens. Finally, we separated bacterium and its fermented substances to test their respective effects and found that both components have SA-inducing activity and bacterium plays major roles. Altogether, we identified a BCA against powdery mildew and its mode of action by inducing systemic resistance such as SA signaling pathway.

The anti-tumor effects of the recombinant toxin protein rLj-RGD3 from Lampetra japonica on pancreatic carcinoma Panc-1 cells in nude mice.

PubMed

Wang, Yue; Zheng, Yuanyuan; Tu, Zuoyu; Dai, Yongguo; Xu, Hong; Lv, Li; Wang, Jihong

2017-02-01

Recombinant Lampetra japonica RGD peptide (rLj-RGD3) is a soluble toxin protein with three RGD (Arg-Gly-Asp) motifs and a molecular weight of 13.5kDa. The aim of this study was to investigate the effects and mechanisms of rLj-RGD3 on tumor growth and survival in pancreatic carcinoma Panc-1 cell-bearing mice. A Panc-1 human pancreatic carcinoma-bearing nude mouse model was successfully generated, and the animals were treated with different doses of rLj-RGD3 for 3 weeks. The volume and weight of the subcutaneous tumors, the survival of the nude mice, histopathological changes, the intratumoral MVD, the number of apoptotic Panc-1 cells, and apoptosis-related proteins and gene expressions were determined. rLj-RGD3 significantly decreased the tumor volumes and weights, and the maximum tumor volume and weight IR values were 53.2% (p<0.001) and 55.9% (p<0.001), respectively. The life expectancy of Panc-1-bearing nude mice treated with rLj-RGD3 was increased by 56.3% (p<0.001). Meanwhile, rLj-RGD3 promoted the expression of Bax, caspase-3, and caspase-9 and inhibited Bcl-2 and VEGF expression. In addition, rLj-RGD3 did not change FAK, PI3K and Akt expression, but p-FAK, p-PI3K and p-Akt, levels were down-regulated. These results show that rLj-RGD3 induced potent anti-tumor activity in vivo and suppressed the growth of transplanted Panc-1 cells in a nude mouse model, implying that rLj-RGD3 may serve as a potent clinical therapeutic agent for human pancreatic carcinoma. Copyright © 2016 Elsevier Inc. All rights reserved.

An Integrated Approach to Rapid Diagnosis of Tuberculosis and Multidrug Resistance Using Liquid Culture and Molecular Methods in Russia

PubMed Central

Balabanova, Yanina; Drobniewski, Francis; Nikolayevskyy, Vladyslav; Kruuner, Annika; Malomanova, Nadezhda; Simak, Tatyana; Ilyina, Nailya; Zakharova, Svetlana; Lebedeva, Natalya; Alexander, Heather L.; O'Brien, Rick; Sohn, Hojoon; Shakhmistova, Anastasia; Fedorin, Ivan

2009-01-01

Objective To analyse the feasibility, cost and performance of rapid tuberculosis (TB) molecular and culture systems, in a high multidrug-resistant TB (MDR TB) middle-income region (Samara, Russia) and provide evidence for WHO policy change. Methods Performance and cost evaluation was conducted to compare the BACTEC™ MGIT™ 960 system for culture and drug susceptibility testing (DST) and molecular systems for TB diagnosis, resistance to isoniazid and rifampin, and MDR TB identification compared to conventional Lowenstein-Jensen culture assays. Findings 698 consecutive patients (2487 sputum samples) with risk factors for drug-resistant tuberculosis were recruited. Overall M. tuberculosis complex culture positivity rates were 31.6% (787/2487) in MGIT and 27.1% (675/2487) in LJ (90.5% and 83.2% for smear-positive specimens). In total, 809 cultures of M. tuberculosis complex were isolated by any method. Median time to detection was 14 days for MGIT and 36 days for LJ (10 and 33 days for smear positive specimens) and indirect DST in MGIT took 9 days compared to 21 days on LJ. There was good concordance between DST on LJ and MGIT (96.8% for rifampin and 95.6% for isoniazid). Both molecular hybridization assay results correlated well with MGIT DST results, although molecular assays generally yielded higher rates of resistance (by approximately 3% for both isoniazid and rifampin). Conclusion With effective planning and logistics, the MGIT 960 and molecular based methodologies can be successfully introduced into a reference laboratory setting in a middle incidence country. High rates of MDR TB in the Russian Federation make the introduction of such assays particularly useful. PMID:19774085

Decontamination methods for samples preserved in cetylpyridinium chloride and cultured on thin-layer agar.

PubMed

Ardizzoni, E; Mulders, W; Sanchez-Padilla, E; Varaine, F; de Jong, B C; Rigouts, L

2014-08-01

Long transportation times of samples to culture laboratories can lead to higher contamination rates and significant loss of viability, resulting in lower culture positivity rates. Thin-layer agar (TLA) is a sensitive culture method for the isolation of Mycobacterium tuberculosis that has been optimised with N-acetyl-L-cysteine-sodium hydroxide (NALC-NaOH) decontaminated samples. The combination of the TLA culture method and other decontamination procedures has not been extensively validated. Among 390 smear-positive samples, we compared the culture positivity of samples decontaminated using the Petroff method vs. NALC-NaOH neutralised with phosphate buffer (PBS), applied to samples preserved with cetylpyridinium chloride (CPC) or CPC-free, and then of CPC-preserved samples decontaminated with NALC-NaOH neutralised using Difco neutralising buffer. The sediments were inoculated on TLA, and then on MGIT 960 or Löwenstein-Jensen (LJ) as gold standards. Decontamination with NALC-NaOH yielded higher culture positivity in TLA than in the Petroff method, which was further enhanced by neutralising CPC with the Difco buffer. Surprisingly, culture positivity on LJ also increased after using Difco buffer, suggesting that CPC may not be completely neutralised in egg-based medium. After transportation in CPC, decontamination using NALC-NaOH followed by neutralisation using Difco buffer resulted in the best recovery rates for samples inoculated on TLA and on LJ.

Renoprotective Effects of a Highly Selective A3 Adenosine Receptor Antagonist in a Mouse Model of Adriamycin-induced Nephropathy.

PubMed

Min, Hye Sook; Cha, Jin Joo; Kim, Kitae; Kim, Jung Eun; Ghee, Jung Yeon; Kim, Hyunwook; Lee, Ji Eun; Han, Jee Young; Jeong, Lak Shin; Cha, Dae Ryong; Kang, Young Sun

2016-09-01

The concentration of adenosine in the normal kidney increases markedly during renal hypoxia, ischemia, and inflammation. A recent study reported that an A3 adenosine receptor (A3AR) antagonist attenuated the progression of renal fibrosis. The adriamycin (ADX)-induced nephropathy model induces podocyte injury, which results in severe proteinuria and progressive glomerulosclerosis. In this study, we investigated the preventive effect of a highly selective A3AR antagonist (LJ1888) in ADX-induced nephropathy. Three groups of six-week-old Balb/c mice were treated with ADX (11 mg/kg) for four weeks and LJ1888 (10 mg/kg) for two weeks as following: 1) control; 2) ADX; and 3) ADX + LJ1888. ADX treatment decreased body weight without a change in water and food intake, but this was ameliorated by LJ1888 treatment. Interestingly, LJ1888 lowered plasma creatinine level, proteinuria, and albuminuria, which had increased during ADX treatment. Furthermore, LJ1888 inhibited urinary nephrin excretion as a podocyte injury marker, and urine 8-isoprostane and kidney lipid peroxide concentration, which are markers of oxidative stress, increased after injection of ADX. ADX also induced the activation of proinflammatory and profibrotic molecules such as TGF-β1, MCP-1, PAI-1, type IV collagen, NF-κB, NOX4, TLR4, TNFα, IL-1β, and IFN-γ, but they were remarkably suppressed after LJ1888 treatment. In conclusion, our results suggest that LJ1888 has a renoprotective effect in ADX-induced nephropathy, which might be associated with podocyte injury through oxidative stress. Therefore, LJ1888, a selective A3AR antagonist, could be considered as a potential therapeutic agent in renal glomerular diseases which include podocyte injury and proteinuria.

Inherent work suit buoyancy distribution: effects on lifejacket self-righting performance.

PubMed

Barwood, Martin J; Long, Geoffrey M; Lunt, Heather; Tipton, Michael J

2014-09-01

Accidental immersion in cold water is an occupational risk. Work suits and life jackets (LJ) should work effectively in combination to keep the airway clear of the water (freeboard) and enable self-righting. We hypothesized that inherent buoyancy, in the suit or LJ, would be beneficial for enabling freeboard, but its distribution may influence LJ self-righting. Six participants consented to complete nine immersions. Suits and LJ tested were: flotation suit (FLOAT; 85 N inherent buoyancy); oilskins 1 (OS-1) and 2 (OS-2), both with no inherent buoyancy; LJs (inherent buoyancy/buoyancy after inflation/total buoyancy), LJ-1 50/150/200 N, LJ-2 0/290/290 N, LJ-3 80/190/270 N. Once dressed, the subject entered an immersion pool where uninflated freeboard, self-righting performance, and inflated freeboard were measured. Data were compared using Friedman's test to the 0.05 alpha level. All suits and LJs enabled uninflated and inflated freeboard, but differences were seen between the suits and LJs. Self-righting was achieved on 43 of 54 occasions, irrespective of suit or LJ. On all occasions that self-righting was not achieved, this occurred in an LJ that included inherent buoyancy (11/54 occasions). Of these 11 failures, 8 occurred (73% of occasions) when the FLOAT suit was being worn. LJs that included inherent buoyancy, that are certified as effective on their own, worked less effectively from the perspective of self-righting in combination with a work suit that also included inherent buoyancy. Equipment that is approved for use in the workplace should be tested in combination to ensure adequate performance in an emergency scenario.

Inhibition of an aquatic rhabdovirus demonstrates promise of a broad-spectrum antiviral for use in aquaculture

USGS Publications Warehouse

Balmer, Bethany F.; Powers, Rachel L.; Zhang, Ting-Hu; Lee, Jihye; Vigant, Frederic; Lee, Benhur; Jung, Michael E.; Purcell, Maureen K.; Snekvik, Kevin; Aguilar, Hector C.

2017-01-01

Many enveloped viruses cause devastating disease in aquaculture, resulting in significant economic impact. LJ001 is a broad-spectrum antiviral compound that inhibits enveloped virus infections by specifically targeting phospholipids in the lipid bilayer via the production of singlet oxygen (1O2). This stabilizes positive curvature and decreases membrane fluidity, which inhibits virus-cell membrane fusion during viral entry. Based on data from previous mammalian studies and the requirement of light for the activation of LJ001, we hypothesized that LJ001 may be useful as a preventative and/or therapeutic agent for infections by enveloped viruses in aquaculture. Here, we report that LJ001 was more stable with a prolonged inhibitory half-life at relevant aquaculture temperatures (15°C), than in mammalian studies at 37°C. When LJ001 was preincubated with our model virus, infectious hematopoietic necrosis virus (IHNV), infectivity was significantly inhibited in vitro (using the epithelioma papulosum cyprini [EPC] fish cell line) and in vivo (using rainbow trout fry) in a dose-dependent and time-dependent manner. While horizontal transmission of IHNV in a static cohabitation challenge model was reduced by LJ001, transmission was not completely blocked at established antiviral doses. Therefore, LJ001 may be best suited as a therapeutic for aquaculture settings that include viral infections with lower virus-shedding rates than IHNV or where higher viral titers are required to initiate infection of naive fish. Importantly, our data also suggest that LJ001-inactivated IHNV elicited an innate immune response in the rainbow trout host, making LJ001 potentially useful for future vaccination approaches.

The Diagnostic Utility of Bact/ALERT and Nested PCR in the Diagnosis of Tuberculous Meningitis.

PubMed

Sastry, Apurba Sankar; Bhat K, Sandhya; Kumudavathi

2013-01-01

The early laboratory diagnosis of Tuberculous Meningitis (TBM) is crucial, to start the antitubercular chemotherapy and to prevent its complications. However, the conventional methods are either less sensitive or time consuming. Hence, the diagnostic potentials of BacT/ALERT and Polymerase Chain Reaction (PCR) was evaluated in this study. The study group comprised of 62 cases and 33 controls. The cases were divided according to Ahuja's criteria into the confirmed (two cases), highly probable (19 cases), probable (26 cases) and the possible (15 cases) subgroups. Ziehl Neelsen's (ZN) and Auramine Phenol (AP) staining, Lowenstein Jensen (LJ) medium culture, BacT/ALERT and nested Polymerase Chain Reaction (PCR) which targeted IS6110 were carried out on all the patients. The sensitivity of the LJ culture was 3.22%. BacT/ALERT showed a sensitivity and a specificity of 25.80% and 100% and those of nested PCR were found to be 40.32% and 96.97% respectively. The mean detection time of growth of the LJ culture was 31.28 days, whereas that of BacT/ALERT was 20.68 days. The contamination rate in the LJ culture and BacT/ALERT were 7.2% and 5.8% respectively. Nested PCR was found to be more sensitive, followed by BacT/ALERT as compared to the LJ culture and smear microscopy. As both false negative and false positive results have been reported for nested PCR, so it should not be used alone as a criterion for initiating or terminating the therapy, but it should be supported by clinical, radiological, cytological and other microbiological findings.

Sputum induction is a safe procedure to use in prisoners and MGIT is the best culture method to diagnose tuberculosis in prisons: a cohort study.

PubMed

Rueda, Zulma Vanessa; López, Lucelly; Marín, Diana; Vélez, Lázaro A; Arbeláez, María Patricia

2015-04-01

To evaluate the concordance and safety of induced sputum (IS) and spontaneous sputum (SS), and estimate concordance and time to detection of M. tuberculosis between Lowenstein-Jensen (LJ), thin-layer agar (TLA), and the Mycobacteria Growth Indicator Tube system (MGIT). This was a cohort study. Prisoners with pulmonary tuberculosis (PTB) were followed for 2 years. At baseline and every follow-up visit, three sputum samples were taken on consecutive days (one IS and two SS) and adverse events occurring before, during, and 30 min after IS were registered. All sputum samples were stained with auramine and cultured in LJ, TLA (to test resistance), and MGIT. Five hundred eighty-six IS and 532 SS were performed on 64 PTB patients. Breathlessness (1.6%), cough (1.2%), hemoptysis (0.3%), and cyanosis (0.2%) were the only complications. Concordance between IS and SS was 0.78 (95% confidence interval 0.69-0.87); 11 positive cultures from IS samples were negative in SS, and 11 positive cultures from SS samples were negative in IS. One hundred seventy-eight cultures were positive by any technique: MGIT 95%, LJ 73%, and TLA 57%. Time to detection of M. tuberculosis in LJ, TLA, and MGIT was 31, 18, and 11 days, respectively. The IS procedure is safe in prisons. The MGIT system is better and faster than LJ and TLA in the diagnosis of M. tuberculosis. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

A strategy to find minimal energy nanocluster structures.

PubMed

Rogan, José; Varas, Alejandro; Valdivia, Juan Alejandro; Kiwi, Miguel

2013-11-05

An unbiased strategy to search for the global and local minimal energy structures of free standing nanoclusters is presented. Our objectives are twofold: to find a diverse set of low lying local minima, as well as the global minimum. To do so, we use massively the fast inertial relaxation engine algorithm as an efficient local minimizer. This procedure turns out to be quite efficient to reach the global minimum, and also most of the local minima. We test the method with the Lennard-Jones (LJ) potential, for which an abundant literature does exist, and obtain novel results, which include a new local minimum for LJ13 , 10 new local minima for LJ14 , and thousands of new local minima for 15≤N≤65. Insights on how to choose the initial configurations, analyzing the effectiveness of the method in reaching low-energy structures, including the global minimum, are developed as a function of the number of atoms of the cluster. Also, a novel characterization of the potential energy surface, analyzing properties of the local minima basins, is provided. The procedure constitutes a promising tool to generate a diverse set of cluster conformations, both two- and three-dimensional, that can be used as an input for refinement by means of ab initio methods. Copyright © 2013 Wiley Periodicals, Inc.

Rapid and improved recovery rate of Mycobacterium tuberculosis in Mycobacteria Growth Indicator Tube combined with solid Löwenstein Jensen medium.

PubMed

Rivera, A B; Tupasi, T E; Grimaldo, E R; Cardano, R C; Co, V M

1997-10-01

Clinical microbiology laboratory with limited resources in a developing country. To determine the recovery rate of Mycobacterium tuberculosis (MTB) in Mycobacteria Growth Indicator Tube (MGIT) combined with Löwenstein Jensen (LJ) culture medium. Stock cultures and reference strains of mycobacteria and clinical specimens were inoculated into MGIT and onto LJ. The combined recovery rate was determined and time to positive culture in each medium was compared. All known stock and reference cultures of mycobacteria grew in both media. MGIT combined with LJ increased the recovery rate from 109 (63.4%) to 122 (70.9%) of 172 clinical specimens. Of those isolated, the yield in MGIT (99.2%) exceeded that in LJ (89.3%). The average day to detection of MTB in MGIT was earlier by 14.2 days compared to LJ (15.7 days vs. 29.9 days). For mycobacteria other than tuberculosis (MOTT), there was little difference in the recovery time, except for M. kansasii where growth in MGIT was earlier by one week and M. triviale where growth in MGIT was detected later than LJ. MGIT is an excellent system for the rapid isolation of mycobacteria. It increases the recovery rate of MTB when combined with LJ.

Evaluation of sodium hydroxide-N-acetyl-l-cysteine and 0.7% chlorhexidine decontamination methods for recovering Mycobacterium tuberculosis from sputum samples: A comparative analysis (The Gambia Experience).

PubMed

Gitteh, Ensa; Kweku Otu, Jacob; Jobarteh, Tijan; Mendy, Francis; Faal-Jawara, Isatou Tutty; Ofori-Anyinam, Nana Boatema; Ayorinde, Abigail; Secka, Ousman; Gehre, Florian

2016-12-01

To determine the culture yield and time to detection of mycobacterial growth between samples decontaminated using 0.7% chlorhexidine and sodium hydroxide-N-acetyl-l-cysteine (NaOH-NALC) and cultured on the Löwenstein-Jensen (LJ) medium. We also aimed to determine the contamination rate between the 0.7% chlorhexidine and NaOH-NALC decontamination methods. The study was carried out on 68 sputa samples (42 smear positives and 26 smear negatives). Of these 68 samples, 46 were collected from men and 26 from women with an approximate average age of 27years. All the sputum samples were decontaminated using the standard NaOH-NALC and 0.7% chlorhexidine methods. The concentrates were cultured in parallel on LJ media in which reading of the slope for mycobacterial growth was obtained daily for the first 2weeks and then weekly until week 8. The mycobacterial recovery rate, time to detection, and contamination rate were then compared. The overall recovery rate of mycobacterial growth on samples treated with both decontamination methods inoculated on LJ media is 51.5% (35/68). Specifically, mycobacterial growth rates on samples treated with 0.7% chlorhexidine and standard NaOH-NALC on LJ media were 61.8% (42/68) and 54.4% (37/68), respectively. However, the growth of Mycobacterium tuberculosis complex was faster on samples treated with 0.7% chlorhexidine than those treated with NaOH-NALC (average, 32±5days vs. 33±5.2days, respectively). The contamination rate on samples treated with 0.7% chlorhexidine was 1.5% (1/68), whereas on those treated with NaOH-NALC, the rate was 4.4% (3/68). The 0.7% chlorhexidine decontamination method is rapid and has less contamination rate in terms of mycobacterial recovery compared with the standard NaOH-NALC method. Therefore, the 0.7% chlorhexidine decontamination method would be an ideal alternative option for decontamination of sputum samples and recovery/isolation of M. tuberculosis in resource-poor countries. Copyright © 2016.

Identification of genes associated with the long-gut-persistence phenotype of the probiotic Lactobacillus johnsonii strain NCC533 using a combination of genomics and transcriptome analysis.

PubMed

Denou, Emmanuel; Pridmore, Raymond David; Berger, Bernard; Panoff, Jean-Michel; Arigoni, Fabrizio; Brüssow, Harald

2008-05-01

Lactobacillus johnsonii strains NCC533 and ATCC 33200 (the type strain of this species) differed significantly in gut residence time (12 versus 5 days) after oral feeding to mice. Genes affecting the long gut residence time of the probiotic strain NCC533 were targeted for analysis. We hypothesized that genes specific for this strain, which are expressed during passage of the bacterium through the gut, affect the phenotype. When the DNA of the type strain was hybridized against a microarray of the sequenced NCC533 strain, we identified 233 genes that were specific for the long-gut-persistence isolate. Whole-genome transcription analysis of the NCC533 strain using the microarray format identified 174 genes that were strongly and consistently expressed in the jejunum of mice monocolonized with this strain. Fusion of the two microarray data sets identified three gene loci that were both expressed in vivo and specific to the long-gut-persistence isolate. The identified genes included LJ1027 and LJ1028, two glycosyltransferase genes in the exopolysaccharide synthesis operon; LJ1654 to LJ1656, encoding a sugar phosphotransferase system (PTS) transporter annotated as mannose PTS; and LJ1680, whose product shares 30% amino acid identity with immunoglobulin A proteases from pathogenic bacteria. Knockout mutants were tested in vivo. The experiments revealed that deletion of LJ1654 to LJ1656 and LJ1680 decreased the gut residence time, while a mutant with a deleted exopolysaccharide biosynthesis cluster had a slightly increased residence time.

A Dicarboxylate Transporter, LjALMT4, Mainly Expressed in Nodules of Lotus japonicus.

PubMed

Takanashi, Kojiro; Sasaki, Takayuki; Kan, Tomohiro; Saida, Yuka; Sugiyama, Akifumi; Yamamoto, Yoko; Yazaki, Kazufumi

2016-07-01

Legume plants can establish symbiosis with soil bacteria called rhizobia to obtain nitrogen as a nutrient directly from atmospheric N2 via symbiotic nitrogen fixation. Legumes and rhizobia form nodules, symbiotic organs in which fixed-nitrogen and photosynthetic products are exchanged between rhizobia and plant cells. The photosynthetic products supplied to rhizobia are thought to be dicarboxylates but little is known about the movement of dicarboxylates in the nodules. In terms of dicarboxylate transporters, an aluminum-activated malate transporter (ALMT) family is a strong candidate responsible for the membrane transport of carboxylates in nodules. Among the seven ALMT genes in the Lotus japonicus genome, only one, LjALMT4, shows a high expression in the nodules. LjALMT4 showed transport activity in a Xenopus oocyte system, with LjALMT4 mediating the efflux of dicarboxylates including malate, succinate, and fumarate, but not tricarboxylates such as citrate. LjALMT4 also mediated the influx of several inorganic anions. Organ-specific gene expression analysis showed LjALMT4 mRNA mainly in the parenchyma cells of nodule vascular bundles. These results suggest that LjALMT4 may not be involved in the direct supply of dicarboxylates to rhizobia in infected cells but is responsible for supplying malate as well as several anions necessary for symbiotic nitrogen fixation, via nodule vasculatures.

Use of amplified Mycobacterium tuberculosis direct test in respiratory samples from HIV-infected patients in Brazil.

PubMed

Barreto, Leonardo Bruno Paz Ferreira; Lourenço, Maria Cristina da Silva; Rolla, Valéria Cavalcanti; Veloso, Valdiléia Gonçalves; Huf, Gisele

2014-01-01

To compare the accuracy of the amplified Mycobacterium tuberculosis direct (AMTD) test with reference methods for the laboratory diagnosis of tuberculosis in HIV-infected patients. This was a study of diagnostic accuracy comparing AMTD test results with those obtained by culture on Löwenstein-Jensen (LJ) medium and by the BACTEC Mycobacteria Growth Indicator Tube 960 (BACTEC MGIT 960) system in respiratory samples analyzed at the Bioassay and Bacteriology Laboratory of the Oswaldo Cruz Foundation Evandro Chagas Clinical Research Institute in the city of Rio de Janeiro, Brazil. We analyzed respiratory samples collected from 118 patients, of whom 88 (74.4%) were male. The mean age was 36.6 ± 10.6 years. Using the AMTD test, the BACTEC MGIT 960 system, and LJ culture, we identified M. tuberculosis complex in 31.0%, 29.7%, and 27.1% of the samples, respectively. In comparison with LJ culture, the AMTD test had a sensitivity, specificity, positive predictive value, and negative predictive value of 87.5%, 89.4%, 75.7%, and 95.0%, respectively, for LJ culture, whereas, in comparison with the BACTEC MGIT 960 system, it showed values of 88.6%, 92.4%, 83.8%, and 94.8%, respectively. The AMTD test showed good sensitivity and specificity in the population studied, enabling the laboratory detection of M. tuberculosis complex in paucibacillary respiratory specimens.

Controlling of growth performance, lipid deposits and fatty acid composition of chicken meat through a probiotic, Lactobacillus johnsonii during subclinical Clostridium perfringens infection.

PubMed

Wang, Hesong; Ni, Xueqin; Liu, Lei; Zeng, Dong; Lai, Jing; Qing, Xiaodan; Li, Guangyao; Pan, Kangcheng; Jing, Bo

2017-02-10

Meat is considered as a major source of polyunsaturated fatty acid (PUFA) which is essential for humans, therefore its lipid level and fatty acid composition have drawn great attention. As no clinical sign can be found in chicks subclinically infected by Clostridium perfringens (CP), the meat may be purchased and eaten. The objective of the present study was to determine whether Lactobacillus johnsonii (LJ) can control the CP-caused impact on growth, lipid levels, fatty acid composition and other flavor or nutritional quality in the meat. 480 one-day-old chicks were divided into four groups and fed with basal diet (control and CP group). Supplemented with 1 × 10 5 (L-LJ) and 1 × 10 6 (H-LJ) colony-forming unit (cfu), CP diet was fed for 42 days. From day 19 to 22, birds of CP and LJ groups were administered with CP twice per day and the control was administered with liver broth. LJ-treated chickens were free from negative influences on growth performance and significant decrease of abdominal fat deposit., LJ inhibited CP-caused shearing force and drip loss increase and pH 40 min and 24 h decrease after sacrifice. In addition, LJ exhibited a positive effect on muscle lipid peroxidation by significantly increasing SOD, CAT and GSH-Px activity and decreasing MDA level. Besides, LJ attenuated the decrease of intramuscular fat, total cholesterol and triglyceride contents caused by CP infection. However, levels of total protein and most of amino acids were not changed. CP infection decreased C18:3n-3 (α-LA), C20:4n-6, C20:5n-3(EPA), C22:4n-6, C22:5n-3, C22:6n-3(DHA), total PUFA, n-3 PUFA and PUFA:SFA ratio and increased C14:0, total SFA and n-6:n-3 ratio. LJ was found to protect the muscle from these changes. Meanwhile, the 28-day gut permeability level was higher in CP group. These findings suggest that CP may affect the growth performance of chicks and negatively influence lipid content and fatty acid composition in chicken meat. Meanwhile, LJ treatment may be effective in controlling these changes by reducing the increased gut permeability caused by CP subclinical infection.

Molecular cloning and mRNA expression analysis of interleukin-8 gene in Japanese sea perch (Lateolabrax japonicus).

PubMed

Qiu, Lihua; Zhang, Hanhua; Yang, Keng; Jiang, Shigui

2009-05-01

Interleukin-8 (IL-8), the first known chemokine, is a CXC chemokine, which is cable of attracting neutrophils and inducing them to release lysozomal enzymes, triggering the respiratory burst. In the present study, the cDNA of an IL-8 was cloned from Japanese sea perch Lateolabrax japonicus (designated LjIL-8) by homology cloning and rapid amplification of cDNA ends (RACE) approaches. The full-length cDNA of LjIL-8 consisted of 803 nucleotides with a canonical polyadenylation signal sequence AATAAA and a poly(A) tail, and an open reading frame (ORF) of 300 bp encoding a polypeptide of 99 amino acid residues with a predicted molecular weight of 6.6 kDa. The high identity of LjIL-8 with IL-8 in other organisms indicated that LjIL-8 should be a new member of the IL-8 family. By fluorescent quantitative real-time PCR, mRNA transcript of LjIL-8 was detectable in all the examined tissues with higher level in spleen and head-kidney. The temporal expression of LjIL-8 mRNA in the spleen was up-regulated by lipopolyssacharide (LPS) stimulation and reached the maximum level at 6 h post-stimulation, and then dropped back to the original level gradually. These results indicated that LjIL-8 was a constitutive and inducible acute-phase protein that perhaps involved in the immune defense of L. japonicus.

A pressure consistent bridge correction of Kovalenko-Hirata closure in Ornstein-Zernike theory for Lennard-Jones fluids by apparently adjusting sigma parameter

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

Ebato, Yuki; Miyata, Tatsuhiko, E-mail: miyata.tatsuhiko.mf@ehime-u.ac.jp

Ornstein-Zernike (OZ) integral equation theory is known to overestimate the excess internal energy, U{sup ex}, pressure through the virial route, P{sub v}, and excess chemical potential, μ{sup ex}, for one-component Lennard-Jones (LJ) fluids under hypernetted chain (HNC) and Kovalenko-Hirata (KH) approximatons. As one of the bridge correction methods to improve the precision of these thermodynamic quantities, it was shown in our previous paper that the method to apparently adjust σ parameter in the LJ potential is effective [T. Miyata and Y. Ebato, J. Molec. Liquids. 217, 75 (2016)]. In our previous paper, we evaluated the actual variation in the σmore » parameter by using a fitting procedure to molecular dynamics (MD) results. In this article, we propose an alternative method to determine the actual variation in the σ parameter. The proposed method utilizes a condition that the virial and compressibility pressures coincide with each other. This method can correct OZ theory without a fitting procedure to MD results, and possesses characteristics of keeping a form of HNC and/or KH closure. We calculate the radial distribution function, pressure, excess internal energy, and excess chemical potential for one-component LJ fluids to check the performance of our proposed bridge function. We discuss the precision of these thermodynamic quantities by comparing with MD results. In addition, we also calculate a corrected gas-liquid coexistence curve based on a corrected KH-type closure and compare it with MD results.« less

Parameterization of Highly Charged Metal Ions Using the 12-6-4 LJ-Type Nonbonded Model in Explicit Water

PubMed Central

2015-01-01

Highly charged metal ions act as catalytic centers and structural elements in a broad range of chemical complexes. The nonbonded model for metal ions is extensively used in molecular simulations due to its simple form, computational speed, and transferability. We have proposed and parametrized a 12-6-4 LJ (Lennard-Jones)-type nonbonded model for divalent metal ions in previous work, which showed a marked improvement over the 12-6 LJ nonbonded model. In the present study, by treating the experimental hydration free energies and ion–oxygen distances of the first solvation shell as targets for our parametrization, we evaluated 12-6 LJ parameters for 18 M(III) and 6 M(IV) metal ions for three widely used water models (TIP3P, SPC/E, and TIP4PEW). As expected, the interaction energy underestimation of the 12-6 LJ nonbonded model increases dramatically for the highly charged metal ions. We then parametrized the 12-6-4 LJ-type nonbonded model for these metal ions with the three water models. The final parameters reproduced the target values with good accuracy, which is consistent with our previous experience using this potential. Finally, tests were performed on a protein system, and the obtained results validate the transferability of these nonbonded model parameters. PMID:25145273

The role of prophage for genome diversification within a clonal lineage of Lactobacillus johnsonii: characterization of the defective prophage LJ771.

PubMed

Denou, Emmanuel; Pridmore, Raymond David; Ventura, Marco; Pittet, Anne-Cécile; Zwahlen, Marie-Camille; Berger, Bernard; Barretto, Caroline; Panoff, Jean-Michel; Brüssow, Harald

2008-09-01

Two independent isolates of the gut commensal Lactobacillus johnsonii were sequenced. These isolates belonged to the same clonal lineage and differed mainly by a 40.8-kb prophage, LJ771, belonging to the Sfi11 phage lineage. LJ771 shares close DNA sequence identity with Lactobacillus gasseri prophages. LJ771 coexists as an integrated prophage and excised circular phage DNA, but phage DNA packaged into extracellular phage particles was not detected. Between the phage lysin gene and attR a likely mazE ("antitoxin")/pemK ("toxin") gene cassette was detected in LJ771 but not in the L. gasseri prophages. Expressed pemK could be cloned in Escherichia coli only together with the mazE gene. LJ771 was shown to be highly stable and could be cured only by coexpression of mazE from a plasmid. The prophage was integrated into the methionine sulfoxide reductase gene (msrA) and complemented the 5' end of this gene, creating a protein with a slightly altered N-terminal sequence. The two L. johnsonii strains had identical in vitro growth and in vivo gut persistence phenotypes. Also, in an isogenic background, the presence of the prophage resulted in no growth disadvantage.

Importance of dispersion and electron correlation in ab initio protein folding.

PubMed

He, Xiao; Fusti-Molnar, Laszlo; Cui, Guanglei; Merz, Kenneth M

2009-04-16

Dispersion is well-known to be important in biological systems, but the effect of electron correlation in such systems remains unclear. In order to assess the relationship between the structure of a protein and its electron correlation energy, we employed both full system Hartree-Fock (HF) and second-order Møller-Plesset perturbation (MP2) calculations in conjunction with the Polarizable Continuum Model (PCM) on the native structures of two proteins and their corresponding computer-generated decoy sets. Because of the expense of the MP2 calculation, we have utilized the fragment molecular orbital method (FMO) in this study. We show that the sum of the Hartree-Fock (HF) energy and force field (LJ6)-derived dispersion energy (HF + LJ6) is well correlated with the energies obtained using second-order Møller-Plesset perturbation (MP2) theory. In one of the two examples studied, the correlation energy as well as the empirical dispersive energy term was able to discriminate between native and decoy structures. On the other hand, for the second protein we studied, neither the correlation energy nor dispersion energy showed discrimination capabilities; however, the ab initio MP2 energy and the HF+LJ6 both ranked the native structure correctly. Furthermore, when we randomly scrambled the Lennard-Jones parameters, the correlation between the MP2 energy and the sum of the HF energy and dispersive energy (HF+LJ6) significantly drops, which indicates that the choice of Lennard-Jones parameters is important.

Comparative performance of Thin Layer Agar and Löwenstein-Jensen culture for diagnosis of tuberculosis.

PubMed

Battaglioli, T; Rintiswati, N; Martin, A; Palupi, K R; Bernaerts, G; Dwihardiani, B; Ahmad, R A; Matthys, F; Mahendradhata, Y; Van der Stuyft, P

2013-11-01

Sputum smear microscopy for the diagnosis of tuberculosis (TB) is cheap and simple but its sensitivity is low. Culture on Löwenstein-Jensen (LJ) is more sensitive but it takes a long time to yield results. Thin-Layer Agar (TLA) culture was suggested as an equally sensitive and faster alternative. We evaluated the performance of TLA for diagnosing TB in Jogjakarta, Indonesia. People with suspected TB presenting from July 2010 to July 2011 to two chest clinics of the National TB Control Programme network of Jogjakarta were eligible for inclusion. A sputum sample was sent to the Gadjah Mada University microbiology laboratory for concentration, smearing, Ziehl-Neelsen staining and culture on LJ and TLA. Sensitivity of cultures was evaluated against a composite reference standard (any positive culture). Time to detection of Mycobacteria was recorded. Out of 1414 samples, 164 (12%) were smear positive, 99 (7%) were scanty and 1151 (81%) were negative. On TLA and LJ respectively, 168 (12%) and 149 (11%) samples were positive, 72 (5%) and 32 (2%) were contaminated (κ = 0.64; 95% CI 0.59-0.69, p <0.01). Using the reference standard, 196 (14%) TB cases were identified. The sensitivity of TLA was 0.86 (95% CI 0.80-0.90), significantly higher (p 0.03) than for LJ (0.76; 95% CI 0.69-0.81). The median time to detection in days was significantly shorter (p <0.01) for TLA (12; 95% CI 11-13) than for LJ (44; 95% CI 43-45). TLA is a rapid and sensitive method for the diagnosis of TB. Implementation studies to evaluate the cost-effectiveness and impact of its introduction into programmatic settings are urgently needed. © 2013 The Authors Clinical Microbiology and Infection © 2013 European Society of Clinical Microbiology and Infectious Diseases.

The role of the attractive and the repulsive interactions in the nonpolar solvation dynamics in simple fluids from the gas-like to the liquid-like densities

NASA Astrophysics Data System (ADS)

Yamaguchi, T.; Kimura, Y.; Hirota, N.

1999-09-01

We have performed molecular dynamics (MD) simulations of the nonpolar solvation dynamics in simple fluids composed of particles interacting through the Lennard-Jones (LJ) 12-6 potential or its repulsive part. The attractive or the repulsive part of the solute-solvent interaction is assumed to change on the excitation of a solute. We have followed the transition energy fluctuation of the solute by the equilibrium simulation. The division of the LJ potential followed the method of WCA [J. W. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 54, 5237 (1971)]. We have surveyed over a wide solvent density region from gas-like to liquid-like densities at the constant temperature. When the attractive part changes, the relaxation becomes faster with an increase of the solvent density. This result contradicts with previous theories that treat the nonpolar solvation dynamics in terms of the diffusion of solvent particles. The time scale of the initial part of the relaxation is well correlated with the static fluctuation divided by the static average, which suggests the importance of the curvature of the free energy surface in the initial part of the solvation. When the repulsive part changes, the initial part of the relaxation is almost density independent, determined by the binary motion between solute and solvent. It is consistent with the result that the static fluctuation is almost proportional to the static average, which indicates the absence of the static correlation between solvent particles. On the other hand, the solvation correlation function shows rather complicated density dependence at the longer time scale. In the case of the binary mixture solvent, the relaxation time is inversely proportional to the diffusion coefficient. On the basis of the nonpolar solvation dynamics, the validity of the isolated binary collision model for the vibrational energy relaxation is also discussed, and the recent hydrodynamic theory on the vibrational energy relaxation [B. J. Cherayil and M. D. Feyer, J. Chem. Phys. 107, 7642 (1997)] is critically examined.

A RUTCOR Project on Discrete Applied Mathematics

DTIC Science & Technology

1989-01-30

the more important results of this work is the possibility that Groebner basis methods of computational commutative algebra might lead to effective...Billera, L.J., " Groebner Basis Methods for Multivariate Splines," prepared for the Proceedings of the Oslo Conference on Computer-aided Geometric Design

The anti-tumour activity of rLj-RGD4, an RGD toxin protein from Lampetra japonica, on human laryngeal squamous carcinoma Hep-2 cells in nude mice.

PubMed

Shao, Fangyu; Lv, Mei; Zheng, Yuanyuan; Jiang, Junshu; Wang, Yue; Lv, Li; Wang, Jihong

2015-12-01

The objective of this study is to investigate the antiproliferative activity and mechanism of integrin-binding rLj-RGD4 in a Hep-2 human laryngeal carcinoma-bearing nude mouse model. Human laryngeal squamous carcinoma cells (Hep-2) were inoculated subcutaneously into the axilla of nude mice to generate a Hep-2 human laryngeal carcinoma-bearing nude mouse model. When the Hep-2 xenograft model was successfully established, the animals were randomly separated into five groups. Three groups were treated with different dosages of rLj-RGD4. Cisplatin was administered to the positive control group, and normal saline (NaCl) was administered to the negative control group for 3 weeks. The body weights and the survival of the nude mice were evaluated, and the volumes and weights of the solid tumours were measured. The mechanism underlying rLj-RGD4 inhibition of tumour growth in transplanted Hep-2 human laryngeal carcinoma-bearing nude mice was evaluated by haematoxylin-eosin (HE) staining, terminal deoxynucleotidyl transferase-mediated dUTP-biotin nick end labelling (TUNEL), measurement of intratumoural microvessel density (MVD), Western blotting, and quantitative reverse transcription-polymerase chain reaction (qRT-PCR). The tumour volumes and weights of the treatment groups were reduced compared with the model group, and survival times were improved by rLj-RGD4 treatment in Hep-2 human laryngeal carcinoma-bearing nude mice. The number of apoptotic Hep-2 human cells and intratumoural MVD significantly decreased after the administration of rLj-RGD4. In the xenograft tissue of animals treated with rLj-RGD4, FAK, PI3K, and Akt expression was unaltered, whereas P-FAK, P-PI3K, Bcl-2, P-Akt, and VEGF levels were down-regulated. In addition, activated caspase-3, activated caspase-9, and Bax levels were up-regulated. rLj-RGD4 exhibits potent in vivo activity and inhibits the growth of transplanted Hep-2 human laryngeal carcinoma cells in a nude mouse model. Thus, these results indicate that the recombinant RGD toxin protein rLj-RGD4 may serve as a potent clinical therapy for human laryngeal squamous carcinoma. Copyright © 2015 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

Evaluation of Microscopic Observation Drug Susceptibility (MODS) and the string test for rapid diagnosis of pulmonary tuberculosis in HIV/AIDS patients in Bolivia.

PubMed

Lora, Meredith H; Reimer-McAtee, Melissa J; Gilman, Robert H; Lozano, Daniel; Saravia, Ruth; Pajuelo, Monica; Bern, Caryn; Castro, Rosario; Espinoza, Magaly; Vallejo, Maya; Solano, Marco; Challapa, Roxana; Torrico, Faustino

2015-06-06

Tuberculosis (TB) is the most common opportunistic infection and the leading cause of death in HIV-positive people worldwide. Diagnosing TB is difficult, and is more challenging in resource-scarce settings where culture-based diagnostic methods rely on poorly sensitive smear microscopy by Ziehl-Neelsen stain (ZN). We performed a cross-sectional study examining the diagnostic utility of Microscopic Observation Drug Susceptibility liquid culture (MODS) versus traditional Ziehl-Neelsen staining (ZN) and Lowenstein Jensen culture (LJ) of pulmonary tuberculosis (TB) and multidrug-resistant tuberculosis (MDRTB) in HIV-infected patients in Bolivia. For sputum scarce individuals we assessed the value of the string test and induced sputum for TB diagnosis. The presence of Mycobacterium tuberculosis (Mtb) in the sputum of 107 HIV-positive patients was evaluated by ZN, LJ, and MODS. Gastric secretion samples obtained by the string test were evaluated by MODS in 102 patients. The TB-HIV co-infection rate of HIV patients with respiratory symptoms by sputum sample was 45 % (48/107); 46/48 (96 %) were positive by MODS, 38/48 (79 %) by LJ, and 30/48 (63 %) by ZN. The rate of MDRTB was 9 % (4/48). Median time to positive culture was 10 days by MODS versus 34 days by LJ (p < 0.0001). In smear-negative patients, MODS detected TB in 17/18 patients, compared to 11/18 by LJ (94.4 % vs 61.0 %, p = 0.03 %). In patients unable to produce a sputum sample without induction, the string test cultured by MODS yielded Mtb in of 9/11 (82 %) TB positive patients compared to 11/11 (100 %) with induced sputum. Of the 10 patients unable to produce a sputum sample, 4 were TB-positive by string test. MODS was faster and had a higher Mtb detection yield compared to LJ, with a greater difference in yield between the two in smear-negative patients. The string test is a valuable diagnostic technique for HIV sputum-scarce or sputum-absent patients, and should be considered as an alternative test to induced sputum to obtain sample for Mtb in resource-limited settings. Nine percent of our TB+ patients had MDRTB, which reinforces the need for rapid detection with direct drug susceptibility testing in HIV patients in Bolivia.

Little Joe Launch

NASA Image and Video Library

1959-10-04

Launching of the LJ6 Little Joe on Oct. 4, 1959 took place at Wallops Island, Va. This was the first attempt to launch an instrumented capsule with a Little Joe booster. Only the LJ1A and the LJ6 used the space metal chevron plates as heat reflector shields, as they kept shattering. Caption title ...and ascending skyward on a plume of exhaust. Photograph published in Winds of Change, 75th Anniversary NASA publication, page 77, by James Schultz

Flavone synthases from Lonicera japonica and L. macranthoides reveal differential flavone accumulation

NASA Astrophysics Data System (ADS)

Wu, Jie; Wang, Xiao-Chen; Liu, Yang; Du, Hui; Shu, Qing-Yan; Su, Shang; Wang, Li-Jin; Li, Shan-Shan; Wang, Liang-Sheng

2016-01-01

Flavones are important secondary metabolites found in many plants. In Lonicera species, flavones contribute both physiological and pharmaceutical properties. However, flavone synthase (FNS), the key enzyme responsible for flavone biosynthesis, has not yet been characterized in Lonicera species. In this study, FNSII genes were identified from Lonicera japonica Thunb. and L. macranthoides Hand.-Mazz. In the presence of NADPH, the recombinant cytochrome P450 proteins encoded by LjFNSII-1.1, LjFNSII-2.1, and LmFNSII-1.1 converted eriodictyol, naringenin, and liquiritigenin to the corresponding flavones directly. The different catalytic properties between LjFNSII-2.1 and LjFNSII-1.1 were caused by a single amino acid substitution at position 242 (glutamic acid to lysine). A methionine at position 206 and a leucine at position 381 contributed considerably to the high catalytic activity of LjFNSII-1.1. In addition, LjFNSII-1.1&2.1 and LmFNSII-1.1 also biosynthesize flavones that were further modified by O-glycosylation in transgenic tobacco. The expression levels of the FNSII genes were consistent with flavone accumulation patterns in flower buds. Our findings suggested that the weak catalytic activity of LmFNSII-1.1 and the relatively low expression of LmFNSII-1.1 in flowers might be responsible for the low levels of flavone accumulation in flower buds of L. macranthoides.

An intra-laboratory cultural and real-time PCR method comparison and evaluation for the detection of subclinical paratuberculosis in dairy herds.

PubMed

Heuvelink, Annet; Hassan, Abdulwahed Ahmed; van Weering, Hilmar; van Engelen, Erik; Bülte, Michael; Akineden, Ömer

2017-05-01

Mycobacterium avium subsp. paratuberculosis (MAP) is a vigorous microorganism which causes incurable chronic enteritis, Johne's disease (JD) in cattle. A target of control programmes for JD is to accurately detect MAP-infected cattle early to reduce disease transmission. The present study evaluated the efficacy of two different cultural procedures and a TaqMan real-time PCR assay for detection of subclinical paratuberculosis in dairy herds. Therefore, sixty-one faecal samples were collected from two Dutch dairy herds (n = 40 and n = 21, respectively) which were known to be MAP-ELISA positive. All individual samples were assessed using two different cultural protocols in two different laboratories. The first cultural protocol (first laboratory) included a decontamination step with 0.75% hexadecylpyridinium chloride (HPC) followed by inoculation on Herrold's egg yolk media (HEYM). The second protocol (second laboratory) comprised of a decontamination step using 4% NaOH and malachite green-oxalic acid followed by inoculation on two media, HEYM and in parallel on modified Löwenstein-Jensen media (mLJ). For the TaqMan real-time PCR assay, all faecal samples were tested in two different laboratories using TaqMan® MAP (Johne's) reagents (Life Technologies). The cultural procedures revealed positive reactions in 1.64% of the samples for cultivation protocol 1 and 6.56 and 8.20% of the samples for cultivation protocol 2, respectively. The results of the TaqMan real-time PCR performed in two different laboratories yielded 13.11 and 19.76% positive reaction. The kappa test showed proportional agreement 0.54 between the mLJ media (second laboratory) and TaqMan® real-time PCR method (second laboratory). In conclusion, the TaqMan real-time PCR could be a strongly useful and efficient assay for the detection of subclinical paratuberculosis in dairy cattle leading to an improvement in the efficiency of MAP control strategies.

Toxic nodular goiter

MedlinePlus

... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Computer simulation of liquid-vapor coexistence of confined quantum fluids

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

Trejos, Víctor M.; Gil-Villegas, Alejandro, E-mail: gil@fisica.ugto.mx; Martinez, Alejandro

2013-11-14

The liquid-vapor coexistence (LV) of bulk and confined quantum fluids has been studied by Monte Carlo computer simulation for particles interacting via a semiclassical effective pair potential V{sub eff}(r) = V{sub LJ} + V{sub Q}, where V{sub LJ} is the Lennard-Jones 12-6 potential (LJ) and V{sub Q} is the first-order Wigner-Kirkwood (WK-1) quantum potential, that depends on β = 1/kT and de Boer's quantumness parameter Λ=h/σ√(mε), where k and h are the Boltzmann's and Planck's constants, respectively, m is the particle's mass, T is the temperature of the system, and σ and ε are the LJ potential parameters. The non-conformalmore » properties of the system of particles interacting via the effective pair potential V{sub eff}(r) are due to Λ, since the LV phase diagram is modified by varying Λ. We found that the WK-1 system gives an accurate description of the LV coexistence for bulk phases of several quantum fluids, obtained by the Gibbs Ensemble Monte Carlo method (GEMC). Confinement effects were introduced using the Canonical Ensemble (NVT) to simulate quantum fluids contained within parallel hard walls separated by a distance L{sub p}, within the range 2σ ⩽ L{sub p} ⩽ 6σ. The critical temperature of the system is reduced by decreasing L{sub p} and increasing Λ, and the liquid-vapor transition is not longer observed for L{sub p}/σ < 2, in contrast to what has been observed for the classical system.« less

Effects of potential models on the adsorption of ethane and ethylene on graphitized thermal carbon black. Study of two-dimensional critical temperature and isosteric heat versus loading.

PubMed

Do, D D; Do, H D

2004-12-07

Adsorption of ethylene and ethane on graphitized thermal carbon black and in slit pores whose walls are composed of graphene layers is studied in detail to investigate the packing efficiency, the two-dimensional critical temperature, and the variation of the isosteric heat of adsorption with loading and temperature. Here we used a Monte Carlo simulation method with a grand canonical Monte Carlo ensemble. A number of two-center Lennard-Jones (LJ) potential models are investigated to study the impact of the choice of potential models in the description of adsorption behavior. We chose two 2C-LJ potential models in our investigation of the (i) UA-TraPPE-LJ model of Martin and Siepmann for ethane and Wick et al. for ethylene and (ii) AUA4-LJ model of Ungerer et al. for ethane and Bourasseau et al. for ethylene. These models are used to study the adsorption of ethane and ethylene on graphitized thermal carbon black. It is found that the solid-fluid binary interaction parameter is a function of adsorbate and temperature, and the adsorption isotherms and heat of adsorption are well described by both the UA-TraPPE and AUA models, although the UA-TraPPE model performs slightly better. However, the local distributions predicted by these two models are slightly different. These two models are used to explore the two-dimensional condensation for the graphitized thermal carbon black, and these values are 110 K for ethylene and 120 K for ethane.

A RUTCOR Project in Discrete Applied Mathematics

DTIC Science & Technology

1990-02-20

representations of smooth piecewise polynomial functions over triangulated regions have led in particular to the conclusion that Groebner basis methods of...Reversing Number of a Digraph," in preparation. 4. Billera, L.J., and Rose, L.L., " Groebner Basis Methods for Multivariate Splines," RRR 1-89, January

Home blood sugar testing

MedlinePlus

... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Delayed puberty in boys

MedlinePlus

... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric. 7th ed. Philadelphia, PA: Elsevier ... Groot LJ, de Kretser DM, et al. eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Identification of the centromere-specific histone H3 variant in Lotus japonicus.

PubMed

Tek, Ahmet L; Kashihara, Kazunari; Murata, Minoru; Nagaki, Kiyotaka

2014-03-15

The centromere is a structurally and functionally specialized region present on every eukaryotic chromosome. Lotus japonicus is a model legume species for which there is very limited information on the centromere structure. Here we cloned and characterized the L. japonicus homolog of the centromere-specific histone H3 gene (LjCenH3) encoding a 159-amino acid protein. Using an Agrobacterium-based transformation system, LjCenH3 tagged with a green fluorescent protein was transferred into L. japonicus cells. The centromeric position of LjCENH3 protein was revealed on L. japonicus metaphase chromosomes by an immunofluorescence assay. The identification of LjCenH3 as a critical centromere landmark could pave the way for a better understanding of centromere structure in this model and other agriculturally important legume species. Published by Elsevier B.V.

Lactobacillus johnsonii HY7042 ameliorates Gardnerella vaginalis-induced vaginosis by killing Gardnerella vaginalis and inhibiting NF-κB activation.

PubMed

Joo, Hyun-Min; Hyun, Yang-Jin; Myoung, Kil-Sun; Ahn, Young-Tae; Lee, Jung-Hee; Huh, Chul-Sung; Han, Myung Joo; Kim, Dong-Hyun

2011-11-01

Hydrogen peroxide-producing lactic acid bacteria (LAB) were isolated from women's vaginas and their anti-inflammatory effects against Gardnerella vaginalis-induced vaginosis were examined in β-estradiol-immunosuppressed mice. Oral and intravaginal treatment with five LABs significantly decreased viable G. vaginalis numbers in vaginal cavities and myeloperoxidase activity in mouse vaginal tissues. Of the LABs examined, Lactobacillus johnsonii HY7042 (LJ) most potently inhibited G. vaginalis-induced vaginosis. This LAB also inhibited the expressions of IL-1β, IL-6, TNF-α, COX-2, and iNOS, and the activation of NF-κB in vaginal tissues, but increased IL-10 expression. Orally administered LJ (0.2×10(8) CFU/mouse) also inhibited the expression of TNF-α by 91.7% in β-estradiol-immunosuppressed mice intraperitoneally injected with LPS. However, it increased IL-10 expression by 63.3% in these mice. Furthermore, LJ inhibited the expressions of the pro-inflammatory cytokines, TNF-α and IL-1β, and the activation of NF-κB in lipopolysaccharide-stimulated peritoneal macrophages. LJ also killed G. vaginalis attached with and without HeLa cells. These findings suggest that LJ inhibits bacterial vaginosis by inhibiting the expressions of COX-2, iNOS, IL-1β, and TNF-α by regulating NF-κB activation and by killing G. vaginalis, and that LJ could ameliorate bacterial vaginosis. Copyright © 2011 Elsevier B.V. All rights reserved.

Anti-Helicobacter pylori activity of non-living, heat-killed form of lactobacilli including Lactobacillus johnsonii No.1088.

PubMed

Aiba, Yuji; Ishikawa, Hiroki; Tokunaga, Masayoshi; Komatsu, Yasuhiko

2017-06-15

Some strains of lactic acid bacteria are reported to inhibit the growth of Helicobacter pylori and proposed to be useful to support so-called triple therapy for H. pylori. Although most strains must be alive to exert their anti-H. pylori activity, some lactobacilli strains are effective even when dead. One possible underlying mechanism of such an activity of non-living lactobacilli is reportedly co-aggregation with H. pylori. In this study, we found that a non-living heat-killed form of Lactobacillus johnsonii No.1088 (HK-LJ88) and also that of some other lactobacilli inhibited the growth of H. pylori in vitro. Furthermore, the number of H. pylori in the infected stomach of germ-free mice was significantly decreased by the repeated oral administration of HK-LJ88. Observation by scanning electron microscopy revealed that no co-aggregation had occurred between H. pylori and HK-LJ88; instead, deformations of H. pylori (e.g. disappearance of spiral, bending of cell body, coccoid formation, degradations, etc.) appeared after incubation for 24 h with HK-LJ88. These results suggest that HK-LJ88 inhibited H. pylori activity probably not by co-aggregation but by some unknown mechanism involving HK-LJ88's cell surface molecules and that even non-living lactobacilli are possibly useful to support H. pylori eradication therapy. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

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

Adidharma, Hertanto, E-mail: adidharm@uwyo.edu; Tan, Sugata P.

Canonical Monte Carlo simulations on face-centered cubic (FCC) and hexagonal closed packed (HCP) Lennard-Jones (LJ) solids are conducted at very low temperatures (0.10 ≤ T{sup ∗} ≤ 1.20) and high densities (0.96 ≤ ρ{sup ∗} ≤ 1.30). A simple and robust method is introduced to determine whether or not the cutoff distance used in the simulation is large enough to provide accurate thermodynamic properties, which enables us to distinguish the properties of FCC from that of HCP LJ solids with confidence, despite their close similarities. Free-energy expressions derived from the simulation results are also proposed, not only to describe themore » properties of those individual structures but also the FCC-liquid, FCC-vapor, and FCC-HCP solid phase equilibria.« less

Correlation and prediction of the transport properties of refrigerants using two modified rough hard-sphere models

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

Teja, A.S.; King, R.K.; Sun, T.F.

1999-01-01

Two methods are presented for the correlation and prediction of the viscosities and thermal conductivities of refrigerants R11, R12, R22, R32, R124, R125, R134a, R141b, and R152 and their mixtures. The first (termed RHS1) is a modified rough-hard-sphere method based on the smooth hard-sphere correlations of Assael et al. The method requires two or three parameters for characterizing each refrigerant but is able to correlate transport properties over wide ranges of pressure and temperature. The second method (RHS2) is also a modified rough-hard-sphere method, but based on an effective hard-sphere diameter for Lennard-Jones (LJ) fluids. The LJ parameters and themore » effective hard-sphere diameter required in this method are determined from a knowledge of the density-temperature behavior of the fluid at saturation. Comparisons with the rough-hard-sphere method of Assael and co-workers (RHS3) are shown. They also show that the RHS2 method can be used to correlate as well as predict the transport properties of refrigerants.« less

Inhibition of type 1 diabetes correlated to a Lactobacillus johnsonii N6.2-mediated Th17 bias.

PubMed

Lau, Kenneth; Benitez, Patrick; Ardissone, Alexandria; Wilson, Tenisha D; Collins, Erin L; Lorca, Graciela; Li, Nan; Sankar, Dhyana; Wasserfall, Clive; Neu, Josef; Atkinson, Mark A; Shatz, Desmond; Triplett, Eric W; Larkin, Joseph

2011-03-15

Although it is known that resident gut flora contribute to immune system function and homeostasis, their role in the progression of the autoimmune disease type 1 diabetes (T1D) is poorly understood. Comparison of stool samples isolated from Bio-Breeding rats, a classic model of T1D, shows that distinct bacterial populations reside in spontaneous Bio-Breeding diabetes-prone (BBDP) and Bio-Breeding diabetes-resistant animals. We have previously shown that the oral transfer of Lactobacillus johnsonii strain N6.2 (LjN6.2) from Bio-Breeding diabetes-resistant to BBDP rodents conferred T1D resistance to BBDP rodents, whereas Lactobacillus reuteri strain TD1 did not. In this study, we show that diabetes resistance in LjN6.2-fed BBDP rodents was correlated to a Th17 cell bias within the mesenteric lymph nodes. The Th17 bias was not observed in the non-gut-draining axillary lymph nodes, suggesting that the Th17 bias was because of immune system interactions with LjN6.2 within the mesenteric lymph node. LjN6.2 interactions with the immune system were observed in the spleens of diabetes-resistant, LjN6.2-fed BBDP rats, as they also possessed a Th17 bias in comparison with control or Lactobacillus reuteri strain TD1-fed rats. Using C57BL/6 mouse in vitro assays, we show that LjN6.2 directly mediated enhanced Th17 differentiation of lymphocytes in the presence of TCR stimulation, which required APCs. Finally, we show that footpad vaccination of NOD mice with LjN6.2-pulsed dendritic cells was sufficient to mediate a Th17 bias in vivo. Together, these data suggest an interesting paradigm whereby T1D induction can be circumvented by gut flora-mediated Th17 differentiation.

[Comparison of the efficacies of cross priming amplification and RealAmp with XpertMTB/RIF for the diagnosis of pulmonary tuberculosis at peripheral microscopic center].

PubMed

Wang, S H; Zheng, D W; Zhu, Y K; Ma, X G; Shi, J; Ou, X C; Li, H; Xing, J; Zhao, Y L

2018-02-12

Objective: To compare the efficacies of cross priming amplification (CPA) and RealAmp with XpertMTB/RIF for the diagnosis of pulmonary tuberculosis(TB) at peripheral microscopic centers. Methods: From December of 2014 to December of 2015, 3 193 patients suspected with TB were enrolled consecutively at 3 county level TB clinical clinics in Zhongmu, Xinmi and Dengzhou of Henan province. Totally 3 193 collected sputum samples were detected by smear microscopy, L-J media culture, CPA, RealAmp and Xpert MTB/RIF. The culture positive samples were tested by MPB64 for strain identification. The sensitivity and specificity of CPA, RealAmp and Xpert MTB/RIF were calculated according to L-J solid culture results and clinical diagnosis results. Results: The sensitivity of CPA, RealAmp and Xpert MTB/RIF were 85.5%(413/483), 85.5%(413/483) and 87.9%(422/480), respectively, compared with L-J solid culture, the difference among the 3 methods being not significant(χ(2)=1.6, P >0.05). The specificity of CPA, RealAmp and Xpert MTB/RIF were 96.8%(2 624/2 170), 93.2%(2 527/2 170) and 95.3%(2 567/2 170) compared with culture; and there was a significantly statistic difference among the 3 methods(χ(2)=37.8, P <0.001). The sensitivity of smear microscopy, culture, CPA, RealAmp and Xpert MTB/RIF was 21.7%(300/1 383), 34.9%(483/1 383), 34.6%(478/1 383), 39.2%(542/1 383) and 38.1%(526/1 381) compared with clinical diagnosis. The sensitivity of CPA, RealAmp and Xpert MTB/RIF was higher than that of smear (χ(2) =31.9, P <0.01), but there was no significantly statistic difference between the 3 molecular methods(χ(2)=2.9, P >0.05). The specificity of smear microscopy, L-J solid culture, CPA, RealAmp and Xpert MTB/RIF was 100%(1 810/1 810), 100%(1 810/1 810), 98.8%(1 789/1 810), 98.8%(1 756/1 810) and 97.0%(1 788/1 810), and there was no significantly statistic difference among the 3 molecular methods(χ(2)=0.16, P >0.05). Conclusion: The capability of CPA and RealAmp for diagnosing pulmonary TB was similar to Xpert MTB/RIF.The former 2 methods were more suitable to apply to the diagnoses of pulmonary TB in peripheral laboratories.

Hemoglobin LjGlb1-1 is involved in nodulation and regulates the level of nitric oxide in the Lotus japonicus-Mesorhizobium loti symbiosis.

PubMed

Fukudome, Mitsutaka; Calvo-Begueria, Laura; Kado, Tomohiro; Osuki, Ken-Ichi; Rubio, Maria Carmen; Murakami, Ei-Ichi; Nagata, Maki; Kucho, Ken-Ichi; Sandal, Niels; Stougaard, Jens; Becana, Manuel; Uchiumi, Toshiki

2016-09-01

Leghemoglobins transport and deliver O2 to the symbiosomes inside legume nodules and are essential for nitrogen fixation. However, the roles of other hemoglobins (Hbs) in the rhizobia-legume symbiosis are unclear. Several Lotus japonicus mutants affecting LjGlb1-1, a non-symbiotic class 1 Hb, have been used to study the function of this protein in symbiosis. Two TILLING alleles with single amino acid substitutions (A102V and E127K) and a LORE1 null allele with a retrotransposon insertion in the 5'-untranslated region (96642) were selected for phenotyping nodulation. Plants of all three mutant lines showed a decrease in long infection threads and nodules, and an increase in incipient infection threads. About 4h after inoculation, the roots of mutant plants exhibited a greater transient accumulation of nitric oxide (NO) than did the wild-type roots; nevertheless, in vitro NO dioxygenase activities of the wild-type, A102V, and E127K proteins were similar, suggesting that the mutated proteins are not fully functional in vivo The expression of LjGlb1-1, but not of the other class 1 Hb of L. japonicus (LjGlb1-2), was affected during infection of wild-type roots, further supporting a specific role for LjGlb1-1. In conclusion, the LjGlb1-1 mutants reveal that this protein is required during rhizobial infection and regulates NO levels. © The Author 2016. Published by Oxford University Press on behalf of the Society for Experimental Biology.

The occurrence and source identification of bisphenol compounds in wastewaters.

PubMed

Česen, Marjeta; Lenarčič, Kaja; Mislej, Vesna; Levstek, Meta; Kovačič, Ana; Cimrmančič, Bernardka; Uranjek, Nataša; Kosjek, Tina; Heath, David; Dolenc, Marija Sollner; Heath, Ester

2018-03-01

This study reports the occurrence of eight bisphenols (BPs): bisphenol AF (BPAF), bisphenol AP (BPAP), bisphenol B (BPB), bisphenol C (BPC), bisphenol E (BPE), bisphenol F (BPF), bisphenol S (BPS) and bisphenol Z (BPZ) in wastewaters (WWs). Sample preparation involved pre-concentration with SPE cartridges (Oasis HLB), followed by derivatization using N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide with 1% tert-butyldimethylchlorosilane. Chemical analysis was based on gas chromatography-mass spectrometry. A validated method with limits of detection (LODs) at ngL -1 range was applied to WWs collected at five Slovene wastewater treatment plants (WWTPs) and WW inflows from industrial, commercial and residential sources entering the sewerage systems of two catchments (Domžale-Kamnik (DK) and Ljubljana (LJ)). The presence of all BPs was confirmed in three inflows in DK and two inflows in the LJ catchments. High cumulative concentrations of all BPs were determined in WW from food processing facilities (LJ: 3030ngL -1 and DK: 599ngL -1 ). A high detection frequency was observed in the WW from two textile cleaning companies (6 BPs for LJ and 8 BPs for DK). The analysis of WW from WWTPs revealed that only BPF (36.7ngL -1 ) and BPS (40.6ngL -1 ) were >LODs in the influents, whereas other BPs were detected also in the effluents. BPZ was found in the highest concentration (403ngL -1 at WWTP-DK). WW collected at this WWTP also contained the highest amount of BPE (238ngL -1 ). Although BPs removal could not be directly compared between the WWTPs, with the exception of BPAP and BPB in the case of two smaller WWTPs (6.39%-43.2%) bisphenols were in general highly removed (≥96.2%). Finally, levels of BPC>LOD are reported for first time (WWTP in the DK catchment: 1.01ngL -1 -11.8ngL -1 ; LJ inflow from food processing plant up to 2560ngL -1 ). Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

The glutathione peroxidase gene family of Lotus japonicus: characterization of genomic clones, expression analyses and immunolocalization in legumes.

PubMed

Ramos, Javier; Matamoros, Manuel A; Naya, Loreto; James, Euan K; Rouhier, Nicolas; Sato, Shusei; Tabata, Satoshi; Becana, Manuel

2009-01-01

Despite the multiple roles played by antioxidants in rhizobia-legume symbioses, little is known about glutathione peroxidases (GPXs) in legumes. Here the characterization of six GPX genes of Lotus japonicus is reported. Expression of GPX genes was analysed by quantitative reverse transcription-polymerase chain reaction in L. japonicus and Lotus corniculatus plants exposed to various treatments known to generate reactive oxygen and/or nitrogen species. LjGPX1 and LjGPX3 were the most abundantly expressed genes in leaves, roots and nodules. Compared with roots, LjGPX1 and LjGPX6 were highly expressed in leaves and LjGPX3 and LjGPX6 in nodules. In roots, salinity decreased GPX4 expression, aluminium decreased expression of the six genes, and cadmium caused up-regulation of GPX3, GPX4 and GPX5 after 1 h and down-regulation of GPX1, GPX2, GPX4 and GPX6 after 3-24 h. Exposure of roots to sodium nitroprusside (a nitric oxide donor) for 1 h increased the mRNA levels of GPX4 and GPX6 by 3.3- and 30-fold, respectively. Thereafter, the GPX6 mRNA level remained consistently higher than that of the control. Immunogold labelling revealed the presence of GPX proteins in root and nodule amyloplasts and in leaf chloroplasts of L. japonicus and other legumes. Labelling was associated with starch grains. These results underscore the differential regulation of GPX expression in response to cadmium, aluminium and nitric oxide, and strongly support a role for GPX6 and possibly other GPX genes in stress and/or metabolic signalling.

Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular Parameters.

PubMed

Kramer, Christian; Gedeck, Peter; Meuwly, Markus

2013-03-12

Distributed atomic multipole (MTP) moments promise significant improvements over point charges (PCs) in molecular force fields, as they (a) more realistically reproduce the ab initio electrostatic potential (ESP) and (b) allow to capture anisotropic atomic properties such as lone pairs, conjugated systems, and σ holes. The present work focuses on the question of whether multipolar electrostatics instead of PCs in standard force fields leads to quantitative improvements over point charges in reproducing intermolecular interactions. To this end, the interaction energies of two model systems, benzonitrile (BZN) and formamide (FAM) homodimers, are characterized over a wide range of dimer conformations. It is found that although with MTPs the monomer ab initio ESP can be captured better by about an order of magnitude compared to point charges (PCs), this does not directly translate into better describing ab initio interaction energies compared to PCs. Neither ESP-fitted MTPs nor refitted Lennard-Jones (LJ) parameters alone demonstrate a clear superiority of atomic MTPs. We show that only if both electrostatic and LJ parameters are jointly optimized in standard, nonpolarizable force fields, atomic are MTPs clearly beneficial for reproducing ab initio dimerization energies. After an exhaustive exponent scan, we find that for both BZN and FAM, atomic MTPs and a 9-6 LJ potential can reproduce ab initio interaction energies with ∼30% (RMSD 0.13 vs 0.18 kcal/mol) less error than point charges (PCs) and a 12-6 LJ potential. We also find that the improvement due to using MTPs with a 9-6 LJ potential is considerably more pronounced than with a 12-6 LJ potential (≈ 10%; RMSD 0.19 versus 0.21 kcal/mol).

Genotyping did not evidence any contribution of Mycobacterium bovis to human tuberculosis in Brazil.

PubMed

Rocha, Adalgiza; Elias, Atina R; Sobral, Luciana F; Soares, Diego F; Santos, Alexandre C; Marsico, Ana-Grazia; Hacker, Mariana A; Caldas, Paulo C; Parente, Luiz C; Silva, Marcio R; Fonseca, Leila; Suffys, Philip; Boéchat, Neio

2011-01-01

The contribution of Mycobacterium bovis to the global burden of tuberculosis (TB) in man is likely to be underestimated due to its dysgonic growth characteristics and because of the absence of pyruvate in most used media is disadvantageous for its primary isolation. In Brazil Mycobacterium culture, identification and susceptibility tests are performed only in TB reference centers, usually for selected cases. Moreover, solid, egg-based, glycerol-containing (without pyruvate supplementation) Löwenstein-Jensen (L-J) or Ogawa media are routinely used, unfavouring M. bovis isolation. To determine the importance of M. bovis as a public health threat in Brazil we investigated 3046 suspected TB patients inoculating their clinical samples onto routine L-J and L-J pyruvate enriched media. A total of 1796 specimens were culture positive for Mycobacterium spp. and 702 TB cases were confirmed. Surprisingly we did not detect one single case of M. bovis in the resulting collection of 1674 isolates recovered from M. bovis favourable medium analyzed by conventional and molecular speciation methods. Also, bacillary DNA present on 454 sputum smears from 223 TB patients were OxyR genotyped and none was recognized as M. bovis. Our data indicate that M. bovis importance on the burden of human TB in Brazil is marginal. Copyright © 2010 Elsevier Ltd. All rights reserved.

Identification and characterisation of ROS modulator 1 in Lampetra japonica.

PubMed

Zhao, Chunhui; Feng, Bin; Cao, Ying; Xie, Peng; Xu, Jie; Pang, Yue; Liu, Xin; Li, Qingwei

2013-08-01

Reactive oxygen species (ROS) are a heterogeneous group of highly reactive molecules that oxidise targets in biological systems. ROS are also considered important immune regulators. In this study, we identified a homologue of reactive oxygen species modulator 1 (Romo1) in the Japanese lamprey (Lampetra japonica). The L japonica Romo1 (Lj-Romo1) gene shares high sequence homology with the Romo1 genes of jawed vertebrates. Real-time quantitative PCR demonstrated the wide distribution of Lj-Romo1 in lamprey tissues. Furthermore, after the lampreys were stimulated with lipopolysaccharide (LPS), the level of Lj-Romo1 mRNA was markedly up-regulated in the liver, gill, kidney, and intestine tissues. Lj-Romo1 was localised to the mitochondria and has the capacity to increase the ROS level in cells. The results obtained in the present study will help us to understand the roles of Romo1 in ROS production and innate immune responses in jawless vertebrates. Copyright © 2013 Elsevier Ltd. All rights reserved.

Lepton flavor violating B meson decays via a scalar leptoquark

NASA Astrophysics Data System (ADS)

Sahoo, Suchismita; Mohanta, Rukmani

2016-06-01

We study the effect of scalar leptoquarks in the lepton flavor violating B meson decays induced by the flavor-changing transitions b →q li+lj- with q =s , d . In the standard model, these transitions are extremely rare as they are either two-loop suppressed or proceed via box diagrams with tiny neutrino masses in the loop. However, in the leptoquark model, they can occur at tree level and are expected to have significantly large branching ratios. The leptoquark parameter space is constrained using the experimental limits on the branching ratios of Bq→l+l- processes. Using such constrained parameter space, we predict the branching ratios of LFV semileptonic B meson decays, such as B+→K+(π+)li+lj-, B+→(K*+,ρ+)li+lj-, and Bs→ϕ li+lj-, which are found to be within the experimental reach of LHCb and the upcoming Belle II experiments. We also investigate the rare leptonic KL ,S→μ+μ-(e+e-) and KL→μ∓e± decays in the leptoquark model.

Efficacy of BACTEC TB in the rapid confirmatory diagnosis of mycobacterial infections. A Lebanese tertiary care center experience.

PubMed

Itani, Lina Y; Cherry, Mohamad A; Araj, George F

2005-01-01

Rapid detection of Mycobacterium tuberculosis (MTB), especially multidrug-resistant strains, is of importance for prompt clinical management and initiation of public health control measures. Culture remains the "gold" standard in the confirmatory laboratory diagnosis of mycobacterial infections. The reliability of the automated radiometric BACTEC 460 TB (BACTEC) system for the rapid detection of mycobacteria in clinical specimens was evaluated and compared to the conventional culture on Lowenstein-Jensen (LJ) medium. All clinical specimens submitted for mycobacterial culture were processed and simultaneously cultured on both BACTEC broth medium and LJ solid medium. Acid-fast bacilli (AFB) smears were also performed on the sediments. Differentiation of mycobacterial isolates as MTB or Mycobacterium sp. other than tuberculosis (MOTT) was based on the BACTEC NAP test. All positive culture findings recovered between January 1997 and December 2003 were analyzed in this study. A total of 3300 specimens were tested of which 355 (10.7%) yielded positive cultures consisting of 233 (65.6%) MTB and 122 (34.4%) MOTT. The percentages of AFB smear-positive were 45% and 49% in clinical specimens yielding MTB & MOTT, respectively. Though several types of specimens were cultured, most isolates (72% of MTB & 91% of MOTT) were recovered from respiratory specimens. Overall, the BACTEC showed significantly higher mycobacteria recovery rate (91%) than LJ (77%). In terms of times to detection, BACTEC showed significantly shorter detection time of isolates than LJ for the overall (mean 9.6 days for BACTEC vs. 22.8 days for LJ) and for each category of AFB smear finding. The detection time is shortened for BACTEC with the increasing grade of smear positivity. BACTEC is substantially more sensitive, efficient and rapid than LJ in the laboratory diagnosis of mycobacterial infections. This system also provides rapid differentiation of MTB from MOTT and susceptibility test results on MTB. However, the simultaneous use of BACTEC and LJ is recommended to provide maximum optimal recovery of isolates from clinical specimens. The time-saving in BACTEC provides an excellent facility for physicians in patient management and to public health personnel for prompt initiation of infection control measures.

Immunobiotic Lactobacillus jensenii as immune-health promoting factor to improve growth performance and productivity in post-weaning pigs.

PubMed

Suda, Yoshihito; Villena, Julio; Takahashi, Yu; Hosoya, Shoichi; Tomosada, Yohsuke; Tsukida, Kohichiro; Shimazu, Tomoyuki; Aso, Hisashi; Tohno, Masanori; Ishida, Mitsuharu; Makino, Seiya; Ikegami, Shuji; Kitazawa, Haruki

2014-06-19

Immunoregulatory probiotics (immunobiotics) have been proposed to improve piglets' immune system to avoid intestinal infections and reduce unproductive inflammation after weaning. Previously, it was demonstrated that Lactobacillus jensenii TL2937 (LjTL2937) attenuated the inflammatory response triggered by activation of Toll-like receptor 4 (TLR-4) in porcine intestinal epithelial (PIE) cells and antigen presenting cells (APCs) from porcine Peyer's patches (PP). In view of the critical importance of PIE-APCs interactions in the regulation of intestinal immune responses, we aimed to examine the effect of LjTL2937 on activation patterns of APCs from swine PPs in co-cultures with PIE cells. In addition, we investigated whether LjTL2937 was able to beneficially modulate intestinal immunity of piglets after weaning to improve immune-health status. Stimulation of PIE-APCs co-cultures with LjTL2937 increased the expression of MHC-II, CD80/86, IL-10, and Bcl-3 in CD172a+CD11R1- and CD172a+CD11R1high APCs. In addition, the TL2937 strain caused the upregulation of three negative regulators of TLR4 in PIE cells: MKP-1, Bcl-3 and A20. These changes significantly reduced the inflammatory response triggered by TLR4 activation in PIE-APCs co-cultures. The in vivo experiments using castrated male piglets (crossbreeding (LWD) with Landrace (L), Large Yorkshire (W) and Duroc (D))of 3 weeks of age demonstrated that feeding with LjTL2937 significantly reduced blood complement activity and C reactive protein concentrations while no changes were observed in blood leukocytes, ratio of granulocytes to lymphocyte numbers, macrophages' activity and antibody levels. In addition, treatment with LjTL2937 significantly improved growth performance and productivity, and increased carcass quality. We demonstrated that the use of immunobiotics strains like LjTL2937, as supplemental additives for piglets feedings, could be used as a strategy to maintain and improve intestinal homeostasis; that is important for the development of the pig and for health and performance throughout the productive life of the animal.

Immunobiotic Lactobacillus jensenii as immune-health promoting factor to improve growth performance and productivity in post-weaning pigs

PubMed Central

2014-01-01

Background Immunoregulatory probiotics (immunobiotics) have been proposed to improve piglets’ immune system to avoid intestinal infections and reduce unproductive inflammation after weaning. Previously, it was demonstrated that Lactobacillus jensenii TL2937 (LjTL2937) attenuated the inflammatory response triggered by activation of Toll-like receptor 4 (TLR-4) in porcine intestinal epithelial (PIE) cells and antigen presenting cells (APCs) from porcine Peyer’s patches (PP). Objective In view of the critical importance of PIE-APCs interactions in the regulation of intestinal immune responses, we aimed to examine the effect of LjTL2937 on activation patterns of APCs from swine PPs in co-cultures with PIE cells. In addition, we investigated whether LjTL2937 was able to beneficially modulate intestinal immunity of piglets after weaning to improve immune-health status. Results Stimulation of PIE-APCs co-cultures with LjTL2937 increased the expression of MHC-II, CD80/86, IL-10, and Bcl-3 in CD172a+CD11R1- and CD172a+CD11R1high APCs. In addition, the TL2937 strain caused the upregulation of three negative regulators of TLR4 in PIE cells: MKP-1, Bcl-3 and A20. These changes significantly reduced the inflammatory response triggered by TLR4 activation in PIE-APCs co-cultures. The in vivo experiments using castrated male piglets (crossbreeding (LWD) with Landrace (L), Large Yorkshire (W) and Duroc (D))of 3 weeks of age demonstrated that feeding with LjTL2937 significantly reduced blood complement activity and C reactive protein concentrations while no changes were observed in blood leukocytes, ratio of granulocytes to lymphocyte numbers, macrophages’ activity and antibody levels. In addition, treatment with LjTL2937 significantly improved growth performance and productivity, and increased carcass quality. Conclusions We demonstrated that the use of immunobiotics strains like LjTL2937, as supplemental additives for piglets feedings, could be used as a strategy to maintain and improve intestinal homeostasis; that is important for the development of the pig and for health and performance throughout the productive life of the animal. PMID:24943108

76 FR 63851 - Special Conditions: Learjet Inc., Model LJ-200-1A10 Airplane, Pilot-Compartment View Through...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-14

... certificate for a new Model LJ-200-1A10 airplane. This airplane is 68 feet long with a 65-foot wing span and..., without continuous attention on the part of the crew, in conditions from light misting precipitation to...

Linking Action Learning and Inter-Organisational Learning: The Learning Journey Approach

ERIC Educational Resources Information Center

Schumacher, Thomas

2015-01-01

The article presents and illustrates the learning journey (LJ)--a new management development approach to inter-organisational learning based on observation, reflection and problem-solving. The LJ involves managers from different organisations and applies key concepts of action learning and systemic organisational development. Made up of…

Evaluation of GeneXpert MTB/RIF for detection of pulmonary tuberculosis at peripheral tuberculosis clinics.

PubMed

Shao, Yan; Peng, Hong; Chen, Cheng; Zhu, Tao; Ji, Ming; Jiang, Wei; Zhu, Wei; Zhai, Xiang Jun; Lu, Wei

2017-04-01

Tuberculosis is one of the most common infectious diseases in China, while delayed patient finding obstructed disease control, especially for smear-negative patients. The current study was undertaken to evaluate the diagnostic accuracy of GeneXpert MTB/RIF compared with conventional methods in the detection of pulmonary tuberculosis patients. A total of 295 spot sputum samples from confirmed pulmonary tuberculosis patients were evaluated from September 2014 to June 2015. Each sample was examined by acid-fast bacillus smear microscopy, culture and GeneXpert MTB/RIF. The sputum culture on Löwenstein-Jensen (L-J) was considered as the gold-standard. After testing by smear, 68.81% (203/295) was negative and 31.19% (92/295) was positive. As the gold-standard, L-J culture detected 37.97% (112/295) positive of all specimens, while the positivity for GeneXpert MTB/RIF was 46.44% (137/295). Compared with L-J culture, the combined sensitivity, specificity, positive predictive value (PPV) and negative predictive value (NPV) for GeneXpert MTB/RIF were 94.64%, 82.97%, 77.37% and 96.18% respectively. For smear-negative specimens, the sensitivity, specificity, PPV and NPV for GeneXpert MTB/RIF were 96.00%, 83.05%, 44.44% and 99.32%; while for smear-positive specimens, the corresponding accuracy values were 94.25%, 80.00%, 98.80% and 44.44%. The findings of study indicated that GeneXpert MTB/RIF assay demonstrated a high sensitivity in detecting Mycobacterium tuberculosis compared to smear method and a high NPV among smear negative patients. Copyright © 2017 Elsevier Ltd. All rights reserved.

Performance of the BacT Alert 3D System Versus Solid Media for Recovery and Drug Susceptibility Testing of Mycobacterium tuberculosis in a Tertiary Hospital in Korea.

PubMed

Kim, Seoung-Cheol; Jeon, Bo-Young; Kim, Jin-Sook; Choi, In Hwan; Kim, Jiro; Woo, Jeongim; Kim, Soojin; Lee, Hyeong Woo; Sezim, Monoldorova; Cho, Sang-Nae

2016-10-01

Tuberculosis (TB) is a major health problem, and accurate and rapid diagnosis of multidrug-resistant (MDR) and extended drug-resistant (XDR) TB is important for appropriate treatment. In this study, performances of solid and liquid culture methods were compared with respect to MDR- and XDR-TB isolate recovery and drug susceptibility testing. Sputum specimens from 304 patients were stained with Ziehl-Neelsen method. Mycobacterium tuberculosis (Mtb) isolates were tested for recovery on Löwenstein-Jensen (LJ) medium and the BacT Alert 3D system. For drug susceptibility testing of Mtb, isolates were evaluated on M-KIT plates and the BacT Alert 3D system. The recovery rates were 94.9% (206/217) and 98.2% (213/217) for LJ medium and the BacT Alert 3D system, respectively (kappa coefficient, 0.884). The rate of drug resistance was 13.4% for at least one or more drugs, 6.0% for MDR-TB and 2.3% for XDR-TB. M-KIT plate and BacT 3D Alert 3D system were comparable in drug susceptibility testing for isoniazid (97.7%; kappa coefficient, 0.905) and rifampin (98.6%; kappa coefficient, 0.907). Antibiotic resistance was observed using M-KIT plates for 24 of the total 29 Mtb isolates (82.8%). The liquid culture system showed greater reduction in the culture period, as compared with LJ medium; however, drug susceptibility testing using M-KIT plates was advantageous for simultaneous testing against multiple drug targets.

Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30

NASA Astrophysics Data System (ADS)

Adidharma, Hertanto; Tan, Sugata P.

2016-07-01

Canonical Monte Carlo simulations on face-centered cubic (FCC) and hexagonal closed packed (HCP) Lennard-Jones (LJ) solids are conducted at very low temperatures (0.10 ≤ T∗ ≤ 1.20) and high densities (0.96 ≤ ρ∗ ≤ 1.30). A simple and robust method is introduced to determine whether or not the cutoff distance used in the simulation is large enough to provide accurate thermodynamic properties, which enables us to distinguish the properties of FCC from that of HCP LJ solids with confidence, despite their close similarities. Free-energy expressions derived from the simulation results are also proposed, not only to describe the properties of those individual structures but also the FCC-liquid, FCC-vapor, and FCC-HCP solid phase equilibria.

Psychophysiological Assessment Methods (Including a Register of Psychophysiologists - on Microfiches) (Methodes d’Evaluation Psychophysiologique (Liste de Psychophysiologues Incluse sur Microfiches)

DTIC Science & Technology

1994-05-01

Aerospace Medicine, 35:365-370. Freeman, L.J, Conway, A., and Nixon, P.G.F. (1986). Physiological responses to psychological challenge 0 under hypnosis ...CFHP 2255 H Street 0 Department of Psychology 172 Wright-Patterson AFB OH 45433-7022 University of North Texas Denton TX 76203 Forensic Research

The Shock and Vibration Digest, Volume 17, Number 8

DTIC Science & Technology

1985-08-01

ate, transmit, and radiate audible sound. dures are based on acoustic power flow, statistical energy analysis (SEA), and modal methods [22-283. A...modified partition area. features of the acoustic field. I.--1 85-1642 Statistical Energy Analysis , Structural Reso- nances, and Beam Networks BUILDING...energy methods, Structural resonance L.J. Lee Heriot-Watt Univ., Chambers St., Edinburgh The statistical energy analysis method is EHI 1HX, Scotland

Object's optical geometry measurements based on Extended Depth of Field (EDoF) approach

NASA Astrophysics Data System (ADS)

Szydłowski, Michał; Powałka, Bartosz; Chady, Tomasz; Waszczuk, Paweł

2017-02-01

The authors propose a method of using EDoF in macro inspections using bi-telecentric lenses and a specially designed experimental machine setup, allowing accurate focal distance changing. Also a software method is presented allowing EDoF image reconstruction using the continuous wavelet transform (CWT). Exploited method results are additionally compared with measurements performed with Keyence's LJ-V Series in-line Profilometer for reference matters.

RHESUS MONKEY - SAM - POSTFLIGHT - LITTLE JOE II (LJ-2) SPACECRAFT

NASA Image and Video Library

1963-10-23

S63-19199 (4 Dec. 1959) --- Sam, the Rhesus monkey, and his handler after his ride in the Little Joe 2 (LJ-2) spacecraft. He is still encased in his contour couch. A U.S. Navy destroyer safely recovered Sam after he experienced three minutes of weightlessness during the flight. Photo credit: NASA

LJ Teaching Award 2007: Rick J. Block

ERIC Educational Resources Information Center

Berry, John N., III

2008-01-01

This article profiles Rick J. Block, the recipient of the 2008 "LJ Teaching Award." Despite his "day job" and a heavy schedule of classroom teaching, Block finds time and intense energy to be the mentor, internship supervisor, and individual advisor to the students who fill every available seat in his classes at two LIS…

From sticky-hard-sphere to Lennard-Jones-type clusters.

PubMed

Trombach, Lukas; Hoy, Robert S; Wales, David J; Schwerdtfeger, Peter

2018-04-01

A relation M_{SHS→LJ} between the set of nonisomorphic sticky-hard-sphere clusters M_{SHS} and the sets of local energy minima M_{LJ} of the (m,n)-Lennard-Jones potential V_{mn}^{LJ}(r)=ɛ/n-m[mr^{-n}-nr^{-m}] is established. The number of nonisomorphic stable clusters depends strongly and nontrivially on both m and n and increases exponentially with increasing cluster size N for N≳10. While the map from M_{SHS}→M_{SHS→LJ} is noninjective and nonsurjective, the number of Lennard-Jones structures missing from the map is relatively small for cluster sizes up to N=13, and most of the missing structures correspond to energetically unfavorable minima even for fairly low (m,n). Furthermore, even the softest Lennard-Jones potential predicts that the coordination of 13 spheres around a central sphere is problematic (the Gregory-Newton problem). A more realistic extended Lennard-Jones potential chosen from coupled-cluster calculations for a rare gas dimer leads to a substantial increase in the number of nonisomorphic clusters, even though the potential curve is very similar to a (6,12)-Lennard-Jones potential.

Evaluation of the Xpert MTB/RIF assay for diagnosis of tuberculosis and rifampin resistance in county-level laboratories in Hunan province, China.

PubMed

Hu, Peilei; Bai, Liqiong; Liu, Fengping; Ou, Xichao; Zhang, Zhiying; Yi, Songlin; Chen, Zhongnan; Gong, Daofang; Liu, Binbin; Guo, Jingwei; Tan, Yunhong

2014-01-01

The Xpert MTB/RIF showed high sensitivity and specificity in previous studies carried out in different epidemiological and geographical settings and patient populations in high-burden tuberculosis (TB) countries. However, there were little data obtained by validation or demonstration study of the assay in China. In this study, the performance of Xpert MTB/RIF was investigated in two county-level laboratories in Hunan Province, China. Consecutive patients with suspected pulmonary tuberculosis (PTB) and suspicion for multidrug-resistant tuberculosis (MDR-TB) were enrolled. For each patient suspected to have PTB, three sputum specimens (one spot sputum, one night sputum, and one morning sputum) were collected and each sputum was tested with smear microscopy, Löwenstein-Jensen (LJ) culture, and Xpert MTB/RIF test. For comparison across subgroups and testing methods, 95% confidence intervals were calculated. All analyses were done with SPSS 16.0, and P < 0.05 was regarded as significant. For case detection, the sensitivity of Xpert MTB/RIF was 100% for smear- and culture-positive TB and 88.6% for smear-negative and culture-positive TB; the overall sensitivity was 94.5% for all culture-positive patients. The specificity was 99.8%. The sensitivity of Xpert MTB/RIF assay was 22.0% in clinical TB patients and the specificity reached 100.0% in the group of patients who are infected with nontuberculous mycobacteria. For the detection of rifampin resistance, the sensitivity of MTB/RIF RIF-resistance detection was 92.9%, and the specificity was 98.7%. Of the 26 Xpert MTB/RIF-positive and RIF-resistant patients confirmed by LJ proportion tests, 20 (76.9%) patients were infected by MDR-TB. The Xpert MTB/RIF assay is a highly sensitive and specific method for diagnosis of TB and RIF resistance, which will enable it to have the potential to be used in county-level laboratories and lead to the reduction of the infectious pool and improvements in TB control in China. Further evaluations in county-level laboratories for implementing the assay are still required.

Stationary temperature profiles in a liquid nanochannel: Comparisons between molecular-dynamics simulation and classical hydrostatics

NASA Astrophysics Data System (ADS)

Okumura, Hisashi; Heyes, David M.

2006-12-01

We compare the results of three-dimensional molecular-dynamics (MD) simulations of a Lennard-Jones (LJ) liquid with a hydrostatic (HS) solution of a high temperature liquid channel which is surrounded by a fluid at lower temperature. The maximum temperature gradient, dT/dx , between the two temperature regions ranged from ∞ (step function) to dT/dx=0.1 (in the usual LJ units). Because the systems were in stationary-nonequilibrium states with no fluid flow, both MD simulation and the HS solution gave flat profiles for the normal pressure in all temperature-gradient cases. However, the other quantities showed differences between the two methods. The MD-derived density was found to oscillate over the length of ca. 8 LJ particle diameters from the boundary plane in the system with the infinite temperature gradient, while the HS-derived density showed simply a stepwise profile. The MD simulation also showed another anomaly near the boundary in potential energy. We have found systems in which the HS treatment works well and those where the HS approach breaks down, and therefore established the minimum length scale for the HS treatment to be valid. We also compare the kinetic temperature and the configurational temperature in these systems, and show that these can differ in the transition zone between the two temperatures.

Stationary temperature profiles in a liquid nanochannel: comparisons between molecular-dynamics simulation and classical hydrostatics.

PubMed

Okumura, Hisashi; Heyes, David M

2006-12-01

We compare the results of three-dimensional molecular-dynamics (MD) simulations of a Lennard-Jones (LJ) liquid with a hydrostatic (HS) solution of a high temperature liquid channel which is surrounded by a fluid at lower temperature. The maximum temperature gradient, dT/dx , between the two temperature regions ranged from infinity (step function) to dT/dx=0.1 (in the usual LJ units). Because the systems were in stationary-nonequilibrium states with no fluid flow, both MD simulation and the HS solution gave flat profiles for the normal pressure in all temperature-gradient cases. However, the other quantities showed differences between the two methods. The MD-derived density was found to oscillate over the length of ca. 8 LJ particle diameters from the boundary plane in the system with the infinite temperature gradient, while the HS-derived density showed simply a stepwise profile. The MD simulation also showed another anomaly near the boundary in potential energy. We have found systems in which the HS treatment works well and those where the HS approach breaks down, and therefore established the minimum length scale for the HS treatment to be valid. We also compare the kinetic temperature and the configurational temperature in these systems, and show that these can differ in the transition zone between the two temperatures.

Tuberculosis patients co-infected with Mycobacterium bovis and Mycobacterium tuberculosis in an urban area of Brazil.

PubMed

Silva, Marcio Roberto; Rocha, Adalgiza da Silva; da Costa, Ronaldo Rodrigues; de Alencar, Andrea Padilha; de Oliveira, Vania Maria; Fonseca Júnior, Antônio Augusto; Sales, Mariana Lázaro; Issa, Marina de Azevedo; Filho, Paulo Martins Soares; Pereira, Omara Tereza Vianello; dos Santos, Eduardo Calazans; Mendes, Rejane Silva; Ferreira, Angela Maria de Jesus; Mota, Pedro Moacyr Pinto Coelho; Suffys, Philip Noel; Guimarães, Mark Drew Crosland

2013-05-01

In this cross-sectional study, mycobacteria specimens from 189 tuberculosis (TB) patients living in an urban area in Brazil were characterised from 2008-2010 using phenotypic and molecular speciation methods (pncA gene and oxyR pseudogene analysis). Of these samples, 174 isolates simultaneously grew on Löwenstein-Jensen (LJ) and Stonebrink (SB)-containing media and presented phenotypic and molecular profiles of Mycobacterium tuberculosis, whereas 12 had molecular profiles of M. tuberculosis based on the DNA analysis of formalin-fixed paraffin wax-embedded tissue samples (paraffin blocks). One patient produced two sputum isolates, the first of which simultaneously grew on LJ and SB media and presented phenotypic and molecular profiles of M. tuberculosis, and the second of which only grew on SB media and presented phenotypic profiles of Mycobacterium bovis. One patient provided a bronchial lavage isolate, which simultaneously grew on LJ and SB media and presented phenotypic and molecular profiles of M. tuberculosis, but had molecular profiles of M. bovis from paraffin block DNA analysis, and one sample had molecular profiles of M. tuberculosis and M. bovis identified from two distinct paraffin blocks. Moreover, we found a low prevalence (1.6%) of M. bovis among these isolates, which suggests that local health service procedures likely underestimate its real frequency and that it deserves more attention from public health officials.

Deriving a Utility Function For the U.S. Economy

DTIC Science & Technology

1988-04-01

Jorgenson, D.W., L.J. Lau, and T.M. Stoker, "The Transcendental Logarithmic Model of Ag- gregate Consumer Behavior ," in R.L. Baseman and G. Rhodes (eds...Jorgenson, D.W., L.J. Lau, and T.M. Stoker, "Aggregate Consumer Behavior and Individual Welfare," Macro Economic Analysis, eds. D. Currie, R. Nabay, D. Peel

Where Are They Now? LJ Revisits a Decade's Worth of Graduates

ERIC Educational Resources Information Center

Kuzyk, Raya

2006-01-01

In this article, the author revisits 11 graduates who were profiled as part of LJ's annual Placements & Salaries issue. Armed with a library science degree from various institutions, they had just secured jobs in librarianship and were off to a good start forging their careers. Since then, they have worked at elementary school, college, and…

Rebecca Knuth: LJ Teaching Award 2009

ERIC Educational Resources Information Center

Berry, John N., III

2009-01-01

This article profiles Rebecca Knuth, winner of the LJ Teaching Award for 2009. The way she plans a class she's teaching illustrates why she was nominated by her students and won the award. The award, which comes with a $5000 honorarium and a celebration at the American Library Association (ALA) Midwinter Meeting, is sponsored by ProQuest. For…

Rapid Identification of Mycobacterial Whole Cells in Solid and Liquid Culture Media by Matrix-Assisted Laser Desorption Ionization-Time of Flight Mass Spectrometry ▿

PubMed Central

Lotz, Aurélie; Ferroni, Agnès; Beretti, Jean-Luc; Dauphin, Brunhilde; Carbonnelle, Etienne; Guet-Revillet, Hélène; Veziris, Nicolas; Heym, Béate; Jarlier, Vincent; Gaillard, Jean-Louis; Pierre-Audigier, Catherine; Frapy, Eric; Berche, Patrick; Nassif, Xavier; Bille, Emmanuelle

2010-01-01

Mycobacterial identification is based on several methods: conventional biochemical tests that require several weeks for accurate identification, and molecular tools that are now routinely used. However, these techniques are expensive and time-consuming. In this study, an alternative method was developed using matrix-assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF MS). This approach allows a characteristic mass spectral fingerprint to be obtained from whole inactivated mycobacterial cells. We engineered a strategy based on specific profiles in order to identify the most clinically relevant species of mycobacteria. To validate the mycobacterial database, a total of 311 strains belonging to 31 distinct species and 4 species complexes grown in Löwenstein-Jensen (LJ) and liquid (mycobacterium growth indicator tube [MGIT]) media were analyzed. No extraction step was required. Correct identifications were obtained for 97% of strains from LJ and 77% from MGIT media. No misidentification was noted. Our results, based on a very simple protocol, suggest that this system may represent a serious alternative for clinical laboratories to identify mycobacterial species. PMID:20943874

Cyclopropanyldehydrocostunolide LJ attenuates high glucose-induced podocyte injury by suppressing RANKL/RANK-mediated NF-κB and MAPK signaling pathways.

PubMed

Chen, Xiao-Wen; Liu, Wen-Ting; Wang, Yu-Xian; Chen, Wen-Jing; Li, Hong-Yu; Chen, Yi-Hua; Du, Xiao-Yan; Peng, Fen-Fen; Zhou, Wei-Dong; Xu, Zhao-Zhong; Long, Hai-Bo

2016-07-01

The aim of this research was to investigate the effects of cyclopropanyldehydrocostunolide (also named LJ), a derivative of sesquiterpene lactones (SLs), on high glucose (HG)-induced podocyte injury and the associated molecular mechanisms. Differentiated mouse podocytes were incubated in different treatments. The migration and albumin filtration of podocytes were examined by Transwell filters. The protein and mRNA levels of MCP-1 were measured using enzyme-linked immunosorbent assay (ELISA) and quantitative real-time PCR (q-PCR). Protein expression and phosphorylation were detected by western blot, and the nuclear translocation of NF-κB was performed with a confocal microscope. The gene expression of the receptor activator for NF-κB (RANK) was silenced by small interfering RNA (siRNA). Our results showed that HG enhanced migration, albumin filtration and MCP-1 expression in podocytes. At the molecular level, HG promoted the phosphorylation of NF-κB/p65, IKKβ, IκBα, mitogen-activated protein kinase (MAPK) and the nuclear translocation of p65. LJ reversed the effects of HG in a dose-dependent manner. Furthermore, our data provided the first demonstration that the receptor activator for NF-κB ligand (RANKL) and its cognate receptor RANK were overexpressed in HG-induced podocytes and were downregulated by LJ. RANK siRNA also attenuated HG-induced podocyte injury and markedly inhibited the activation of NF-κB and MAPK signaling pathways. LJ attenuates HG-induced podocyte injury by suppressing RANKL/RANK-mediated NF-κB and MAPK signaling pathways. Copyright © 2016 Elsevier Inc. All rights reserved.

Long-Term Storage at -80°C: Effect on Rate of Recovery of Mycobacterium tuberculosis From Direct Acid-Fast Bacilli Smear-Positive Sputum Samples.

PubMed

Shinu, Pottathil; AshokKumar Singh, Varsha; Nair, Anroop; Farooq, Rumana; Ishaq, Sheikh

2016-09-01

The aim of this study was to evaluate the difference in the rate of recovery of Mycobacterium tuberculosis (MTB) from routinely cultured sputum and long-term stored sputum specimens (at -80°C) using Löwenstein-Jensen (LJ) media, Mycobacterium Growth Indicator Tube (BBL MGIT(TM) ), and Middlebrook 7H11 (MB 7H11) agar. Direct acid-fast bacilli smear-positive sputum specimens (both before and after storage [n = 136]) were studied (after culturing on LJ media, BBL MGIT(TM) , and MB 7H11 agar) and the performances were compared. For the detection of MTB, BBL MGIT(TM) and MB 7H11 agar (before storage) demonstrated a sensitivity, specificity, positive predictive value (PPV) of 98.28%, 30.77%, 92.68%, 66.67%, and negative predictive value (NPV) of 97.41%, 30.77%, 92.62%, 57.14%, respectively, when compared to LJ media (before storage). Similarly, BBL MGIT(TM) and MB 7H11 agar (after storage) demonstrated a sensitivity, specificity, PPV, and NPV of 95.5%, 38.89%, 90.6%, 58.33%, and 95.5%, 66.67 %, 94.64%, 70.59%, respectively, when compared to LJ media (after storage) for the detection of MTB. None of the culture techniques independently (both before and after storage) detected growth of MTB from all the sputum specimens studied. However, BBL MGIT(TM) system and LJ media combination (both before and after storage) effectively detected the growth of MTB from sputum specimens when compared to other culture technique combinations. © 2015 Wiley Periodicals, Inc.

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

Kadoura, Ahmad, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Sun, Shuyu, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Siripatana, Adil, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa

In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercriticalmore » isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH{sub 4}, N{sub 2}, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO{sub 2} and C{sub 2} H{sub 6}.« less

Heat-Killed Lactobacillus salivarius and Lactobacillus johnsonii Reduce Liver Injury Induced by Alcohol In Vitro and In Vivo.

PubMed

Chuang, Cheng-Hung; Tsai, Cheng-Chih; Lin, En-Shyh; Huang, Chin-Shiu; Lin, Yun-Yu; Lan, Chuan-Ching; Huang, Chun-Chih

2016-10-31

The aim of the present study was to determine whether Lactobacillus salivarius (LS) and Lactobacillus johnsonii (LJ) prevent alcoholic liver damage in HepG2 cells and rat models of acute alcohol exposure. In this study, heat-killed LS and LJ were screened from 50 Lactobacillus strains induced by 100 mM alcohol in HepG2 cells. The severity of alcoholic liver injury was determined by measuring the levels of aspartate transaminase (AST), alanine transaminase (ALT), gamma-glutamyl transferase (γ-GT), lipid peroxidation, triglyceride (TG) and total cholesterol. Our results indicated that heat-killed LS and LJ reduced AST, ALT, γ-GT and malondialdehyde (MDA) levels and outperformed other bacterial strains in cell line studies. We further evaluated these findings by administering these strains to rats. Only LS was able to reduce serum AST levels, which it did by 26.2%. In addition LS significantly inhibited serum TG levels by 39.2%. However, both strains were unable to inhibit ALT levels. In summary, we demonstrated that heat-killed LS and LJ possess hepatoprotective properties induced by alcohol both in vitro and in vivo.

Shear thinning of the Lennard-Jones fluid by molecular dynamics

NASA Astrophysics Data System (ADS)

Heyes, David M.

1985-11-01

Extensive Molecular Dynamics, MD, calculations of the Lennard-Jones, LJ, rheological equation of state have been made. Non-equilibrium MD permits evaluation of shear thinning of the dense LJ liquid which adheres in behaviour quite closely with that of more complex “real molecules”. However, quantitative correspondence with simple analytic formulae for non-Newtonian behaviour used in the treatment of experimental data is hindered by poor prediction of certain key parameters. For example, at low shear rates, the equilibrium Newtonian viscosity and, at high shear rates, a limiting shear stress are often required. Both are difficult to obtain by simulation in the portion of the LJ phase diagram which exhibits significant shear thinning and using present techniques. Suggestions for improving the Eyring model for shear thinning are made.

Independent Control of Grafting Density and Conformation of Single-Stranded DNA Brushes

DTIC Science & Technology

2007-01-02

Abstreiter G, Tornow M (2004) Langmuir 20:10086–10092. 20. Kimura-Suda H, Petrovykh DY, Tarlov MJ, Whitman LJ (2003) J Am Chem Soc 125:9014–9015. 21. Wolf...Tarlov MJ, Himpsel FJ, Whitman LJ (2006) J Am Chem Soc 128:2–3. 25. Rant U, Arinaga K, Fujiwara T, Fujita S, Tornow M, Yokoyama N, Abstreiter G (2003

LOCC indistinguishable orthogonal product quantum states

NASA Astrophysics Data System (ADS)

Zhang, Xiaoqian; Tan, Xiaoqing; Weng, Jian; Li, Yongjun

2016-07-01

We construct two families of orthogonal product quantum states that cannot be exactly distinguished by local operation and classical communication (LOCC) in the quantum system of 2k+i ⊗ 2l+j (i, j ∈ {0, 1} and i ≥ j ) and 3k+i ⊗ 3l+j (i, j ∈ {0, 1, 2}). And we also give the tiling structure of these two families of quantum product states where the quantum states are unextendible in the first family but are extendible in the second family. Our construction in the quantum system of 3k+i ⊗ 3l+j is more generalized than the other construction such as Wang et al.’s construction and Zhang et al.’s construction, because it contains the quantum system of not only 2k ⊗ 2l and 2k+1 ⊗ 2l but also 2k ⊗ 2l+1 and 2k+1 ⊗ 2l+1. We calculate the non-commutativity to quantify the quantumness of a quantum ensemble for judging the local indistinguishability. We give a general method to judge the indistinguishability of orthogonal product states for our two constructions in this paper. We also extend the dimension of the quantum system of 2k ⊗ 2l in Wang et al.’s paper. Our work is a necessary complement to understand the phenomenon of quantum nonlocality without entanglement.

Molecular simulation of thermodynamic and transport properties for the H{sub 2}O+NaCl system

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

Orozco, Gustavo A.; Jiang, Hao; Panagiotopoulos, Athanassios Z., E-mail: azp@princeton.edu

Molecular dynamics and Monte Carlo simulations have been carried out to obtain thermodynamic and transport properties of the binary mixture H{sub 2}O+NaCl at temperatures from T = 298 to 473 K. In particular, vapor pressures, liquid densities, viscosities, and vapor-liquid interfacial tensions have been obtained as functions of pressure and salt concentration. Several previously proposed fixed-point-charge models that include either Lennard-Jones (LJ) 12-6 or exponential-6 (Exp6) functional forms to describe non-Coulombic interactions were studied. In particular, for water we used the SPC and SPC/E (LJ) models in their rigid forms, a semiflexible version of the SPC/E (LJ) model, and themore » Errington-Panagiotopoulos Exp6 model; for NaCl, we used the Smith-Dang and Joung-Cheatham (LJ) parameterizations as well as the Tosi-Fumi (Exp6) model. While none of the model combinations are able to reproduce simultaneously all target properties, vapor pressures are well represented using the SPC plus Joung-Cheathem model combination, and all LJ models do well for the liquid density, with the semiflexible SPC/E plus Joung-Cheatham combination being the most accurate. For viscosities, the combination of rigid SPC/E plus Smith-Dang is the best alternative. For interfacial tensions, the combination of the semiflexible SPC/E plus Smith-Dang or Joung-Cheatham gives the best results. Inclusion of water flexibility improves the mixture densities and interfacial tensions, at the cost of larger deviations for the vapor pressures and viscosities. The Exp6 water plus Tosi-Fumi salt model combination was found to perform poorly for most of the properties of interest, in particular being unable to describe the experimental trend for the vapor pressure as a function of salt concentration.« less

A fermented bean flour extract downregulates LOX-1, CHOP and ICAM-1 in HMEC-1 stimulated by ox-LDL.

PubMed

Gabriele, Morena; Pucci, Laura; La Marca, Margherita; Lucchesi, Daniela; Della Croce, Clara Maria; Longo, Vincenzo; Lubrano, Valter

2016-01-01

This study focused on an extract from fermented flour from the Lady Joy variety of the common bean Phaseolus vulgaris . The extract, Lady Joy lysate (Lys LJ), is enriched in antioxidant compounds during the fermentation. We assessed it for its protective effect on endothelial cells treated with oxidized-LDL (ox-LDL). The oxidative stress was determined by measuring the contents of thiobarbituric acid-reactive substances and reactive oxygen metabolites. ICAM-1, ET-1 and IL-6 concentrations were assessed using ELISA. LOX-1 and CHOP expression were analyzed using both quantitative RT-PCR and ELISA or western blotting. Ox-LDL treatment induced significant oxidative stress, which was strongly reduced by pre-treatment with the extract. The ox-LDL exposure significantly enhanced ICAM-1, IL-6 and ET-1 levels over basal levels. Lys LJ pre-treatment exerted an inhibitory effect on ox-LDL-induced endothelial activation with ICAM-1 levels comparable to those for the untreated cells. IL-6 and ET-1 production, although reduced, was still significantly higher than for the control. Both LOX-1 and CHOP expression were upregulated after ox-LDL exposure, but this effect was significantly decreased after Lys LJ pre-treatment. Lys LJ alone did not alter the ICAM-1, IL-6 and ET-1 concentrations or CHOP expression, but it did significantly lower the LOX-1 protein level. Our data suggest that Lys LJ is an effective antioxidant that is able to inhibit the oxidation process, but that it is only marginally active against inflammation and ET-1 production in HMEC-1 exposed to ox-LDL.

Receptor-mediated chitin perception in legume roots is functionally separable from Nod factor perception.

PubMed

Bozsoki, Zoltan; Cheng, Jeryl; Feng, Feng; Gysel, Kira; Vinther, Maria; Andersen, Kasper R; Oldroyd, Giles; Blaise, Mickael; Radutoiu, Simona; Stougaard, Jens

2017-09-19

The ability of root cells to distinguish mutualistic microbes from pathogens is crucial for plants that allow symbiotic microorganisms to infect and colonize their internal root tissues. Here we show that Lotus japonicus and Medicago truncatula possess very similar LysM pattern-recognition receptors, Lj LYS6/ Mt LYK9 and Mt LYR4, enabling root cells to separate the perception of chitin oligomeric microbe-associated molecular patterns from the perception of lipochitin oligosaccharide by the Lj NFR1/ Mt LYK3 and Lj NFR5/ Mt NFP receptors triggering symbiosis. Inactivation of chitin-receptor genes in Ljlys6 , Mtlyk9 , and Mtlyr4 mutants eliminates early reactive oxygen species responses and induction of defense-response genes in roots. Ljlys6 , Mtlyk9 , and Mtlyr4 mutants were also more susceptible to fungal and bacterial pathogens, while infection and colonization by rhizobia and arbuscular mycorrhizal fungi was maintained. Biochemical binding studies with purified Lj LYS6 ectodomains further showed that at least six GlcNAc moieties (CO6) are required for optimal binding efficiency. The 2.3-Å crystal structure of the Lj LYS6 ectodomain reveals three LysM βααβ motifs similar to other LysM proteins and a conserved chitin-binding site. These results show that distinct receptor sets in legume roots respond to chitin and lipochitin oligosaccharides found in the heterogeneous mixture of chitinaceous compounds originating from soil microbes. This establishes a foundation for genetic and biochemical dissection of the perception and the downstream responses separating defense from symbiosis in the roots of the 80-90% of land plants able to develop rhizobial and/or mycorrhizal endosymbiosis.

H2O2 production rate in Lactobacillus johnsonii is modulated via the interplay of a heterodimeric flavin oxidoreductase with a soluble 28 Kd PAS domain containing protein

PubMed Central

Valladares, Ricardo B.; Graves, Christina; Wright, Kaitlyn; Gardner, Christopher L.; Lorca, Graciela L.; Gonzalez, Claudio F.

2015-01-01

Host and commensals crosstalk, mediated by reactive oxygen species (ROS), has triggered a growing scientific interest to understand the mechanisms governing such interaction. However, the majority of the scientific studies published do not evaluate the ROS production by commensals bacteria. In this context we recently showed that Lactobacillus johnsonii N6.2, a strain of probiotic value, modulates the activity of the critical enzymes 2,3-indoleamine dioxygenase via H2O2 production. L. johnsonii N6.2 by decreasing IDO activity, is able to modify the tryptophan/kynurenine ratio in the host blood with further systemic consequences. Understanding the mechanisms of H2O2 production is critical to predict the probiotic value of these strains and to optimize bacterial biomass production in industrial processes. We performed a transcriptome analysis to identify genes differentially expressed in L. johnsonii N6.2 cells collected from cultures grown under different aeration conditions. Herein we described the biochemical characteristics of a heterodimeric FMN reductase (FRedA/B) whose in vitro activity is controlled by LjPAS protein with a typical Per-Arnst-Sim (PAS) sensor domain. Interestingly, LjPAS is fused to the FMN reductase domains in other lactobacillaceae. In L. johnsonii, LjPAS is encoded by an independent gene which expression is repressed under anaerobic conditions (>3 fold). Purified LjPAS was able to slow down the FRedA/B initial activity rate when the holoenzyme precursors (FredA, FredB, and FMN) were mixed in vitro. Altogether the results obtained suggest that LjPAS module regulates the H2O2 production helping the cells to minimize oxidative stress in response to environmental conditions. PMID:26236298

An Inserted α/β Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase

PubMed Central

Vu, Clara; Xu, Xiaohui; Cui, Hong; Molloy, Sara; Savchenko, Alexei; Yakunin, Alexander; Gonzalez, Claudio F.

2011-01-01

Background Microbial enzymes produced in the gastrointestinal tract are primarily responsible for the release and biochemical transformation of absorbable bioactive monophenols. In the present work we described the crystal structure of LJ0536, a serine cinnamoyl esterase produced by the probiotic bacterium Lactobacillus johnsonii N6.2. Methodology/Principal Findings We crystallized LJ0536 in the apo form and in three substrate-bound complexes. The structure showed a canonical α/β fold characteristic of esterases, and the enzyme is dimeric. Two classical serine esterase motifs (GlyXSerXGly) can be recognized from the amino acid sequence, and the structure revealed that the catalytic triad of the enzyme is formed by Ser106, His225, and Asp197, while the other motif is non-functional. In all substrate-bound complexes, the aromatic acyl group of the ester compound was bound in the deepest part of the catalytic pocket. The binding pocket also contained an unoccupied area that could accommodate larger ligands. The structure revealed a prominent inserted α/β subdomain of 54 amino acids, from which multiple contacts to the aromatic acyl groups of the substrates are made. Inserts of this size are seen in other esterases, but the secondary structure topology of this subdomain of LJ0536 is unique to this enzyme and its closest homolog (Est1E) in the Protein Databank. Conclusions The binding mechanism characterized (involving the inserted α/β subdomain) clearly differentiates LJ0536 from enzymes with similar activity of a fungal origin. The structural features herein described together with the activity profile of LJ0536 suggest that this enzyme should be clustered in a new group of bacterial cinnamoyl esterases. PMID:21876742

H2O2 production rate in Lactobacillus johnsonii is modulated via the interplay of a heterodimeric flavin oxidoreductase with a soluble 28 Kd PAS domain containing protein.

PubMed

Valladares, Ricardo B; Graves, Christina; Wright, Kaitlyn; Gardner, Christopher L; Lorca, Graciela L; Gonzalez, Claudio F

2015-01-01

Host and commensals crosstalk, mediated by reactive oxygen species (ROS), has triggered a growing scientific interest to understand the mechanisms governing such interaction. However, the majority of the scientific studies published do not evaluate the ROS production by commensals bacteria. In this context we recently showed that Lactobacillus johnsonii N6.2, a strain of probiotic value, modulates the activity of the critical enzymes 2,3-indoleamine dioxygenase via H2O2 production. L. johnsonii N6.2 by decreasing IDO activity, is able to modify the tryptophan/kynurenine ratio in the host blood with further systemic consequences. Understanding the mechanisms of H2O2 production is critical to predict the probiotic value of these strains and to optimize bacterial biomass production in industrial processes. We performed a transcriptome analysis to identify genes differentially expressed in L. johnsonii N6.2 cells collected from cultures grown under different aeration conditions. Herein we described the biochemical characteristics of a heterodimeric FMN reductase (FRedA/B) whose in vitro activity is controlled by LjPAS protein with a typical Per-Arnst-Sim (PAS) sensor domain. Interestingly, LjPAS is fused to the FMN reductase domains in other lactobacillaceae. In L. johnsonii, LjPAS is encoded by an independent gene which expression is repressed under anaerobic conditions (>3 fold). Purified LjPAS was able to slow down the FRedA/B initial activity rate when the holoenzyme precursors (FredA, FredB, and FMN) were mixed in vitro. Altogether the results obtained suggest that LjPAS module regulates the H2O2 production helping the cells to minimize oxidative stress in response to environmental conditions.

An inserted α/β subdomain shapes the catalytic pocket of Lactobacillus johnsonii cinnamoyl esterase.

PubMed

Lai, Kin-Kwan; Stogios, Peter J; Vu, Clara; Xu, Xiaohui; Cui, Hong; Molloy, Sara; Savchenko, Alexei; Yakunin, Alexander; Gonzalez, Claudio F

2011-01-01

Microbial enzymes produced in the gastrointestinal tract are primarily responsible for the release and biochemical transformation of absorbable bioactive monophenols. In the present work we described the crystal structure of LJ0536, a serine cinnamoyl esterase produced by the probiotic bacterium Lactobacillus johnsonii N6.2. We crystallized LJ0536 in the apo form and in three substrate-bound complexes. The structure showed a canonical α/β fold characteristic of esterases, and the enzyme is dimeric. Two classical serine esterase motifs (GlyXSerXGly) can be recognized from the amino acid sequence, and the structure revealed that the catalytic triad of the enzyme is formed by Ser(106), His(225), and Asp(197), while the other motif is non-functional. In all substrate-bound complexes, the aromatic acyl group of the ester compound was bound in the deepest part of the catalytic pocket. The binding pocket also contained an unoccupied area that could accommodate larger ligands. The structure revealed a prominent inserted α/β subdomain of 54 amino acids, from which multiple contacts to the aromatic acyl groups of the substrates are made. Inserts of this size are seen in other esterases, but the secondary structure topology of this subdomain of LJ0536 is unique to this enzyme and its closest homolog (Est1E) in the Protein Databank. The binding mechanism characterized (involving the inserted α/β subdomain) clearly differentiates LJ0536 from enzymes with similar activity of a fungal origin. The structural features herein described together with the activity profile of LJ0536 suggest that this enzyme should be clustered in a new group of bacterial cinnamoyl esterases.

Equation of state and some structural and dynamical properties of the confined Lennard-Jones fluid into carbon nanotube: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Abbaspour, Mohsen; Akbarzadeh, Hamed; Salemi, Sirous; Abroodi, Mousarreza

2016-11-01

By considering the anisotropic pressure tensor, two separate equations of state (EoS) as functions of the density, temperature, and carbon nanotube (CNT) diameter have been proposed for the radial and axial directions for the confined Lennard-Jones (LJ) fluid into (11,11), (12,10), and (19,0) CNTs from 120 to 600 K using molecular dynamics (MD) simulations. We have also investigated the effects of the pore size, pore loading, chirality, and temperature on some of the structural and dynamical properties of the confined LJ fluid into (11,11), (12,10), (19,0), and (19,19) CNTs such as the radial density profile and self-diffusion coefficient. We have also determined the EoS for the confined LJ fluid into double and triple walled CNTs.

Water nucleation in helium, methane, and argon: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Dumitrescu, Lucia R.; Huinink, Henk; Smeulders, David M. J.; Dam, Jacques A. M.; Gaastra-Nedea, Silvia V.

2018-05-01

Nucleation of highly supersaturated water vapor in helium, methane, and argon carrier gases at 350 K was investigated using molecular dynamics simulations. Nucleation rates obtained from the mean first passage time (MFPT) method are typically one order of magnitude lower than those from the Yasuoka and Matsumoto method, which can be attributed to the overestimation of the critical cluster size in the MFPT method. It was found that faster nucleation will occur in carrier gases that have better thermalization properties such that latent heat is removed more efficiently. These thermalization properties are shown to be strongly dependent on the molecular mass and Lennard-Jones (LJ) parameters. By varying the molecular mass, for unaltered LJ parameters, it was found that a heavier carrier gas removes less heat although it has a higher collision rate with water than a lighter carrier. Thus, it was shown that a clear distinction between water vapor-carrier gas collisions and water cluster-carrier gas collisions is indispensable for understanding the effect of collision rates on thermalization. It was also found that higher concentration of carrier gas leads to higher nucleation rate. The nucleation rates increased by a factor of 1.3 for a doubled concentration and by almost a factor of two for a tripled concentration.

JPRS Report, East Europe.

DTIC Science & Technology

1992-11-19

interesting and frequently ironic-sounding, not to say cynical, leader of the League for Democracy, Gjorgi Marjanovic , has been able to retain his rating...Crvenkovski 642.5 V. Tupurkovski 520 J. Andonov 505 P. Gosev 502.5 Lj. Frckovski 452.5 G. Marjanovic 345 J. Miljovski 157.5 A. Popovski 142.5...Andov 9.72% Lj. Georgievski 5.69% A. Popovski 3.12% G. Marjanovic 2.57% Other 5.87% Personality or Party? Personality regardless of party

Coexistence and interfacial properties of a triangle-well mimicking the Lennard-Jones fluid and a comparison with noble gases.

PubMed

Bárcenas, M; Reyes, Y; Romero-Martínez, A; Odriozola, G; Orea, P

2015-02-21

Coexistence and interfacial properties of a triangle-well (TW) fluid are obtained with the aim of mimicking the Lennard-Jones (LJ) potential and approach the properties of noble gases. For this purpose, the scope of the TW is varied to match vapor-liquid densities and surface tension. Surface tension and coexistence curves of TW systems with different ranges were calculated with replica exchange Monte Carlo and compared to those data previously reported in the literature for truncated and shifted (STS), truncated (ST), and full Lennard-Jones (full-LJ) potentials. We observed that the scope of the TW potential must be increased to approach the STS, ST, and full-LJ properties. In spite of the simplicity of TW expression, a remarkable agreement is found. Furthermore, the variable scope of the TW allows for a good match of the experimental data of argon and xenon.

Manufacturing Methods and Technology Project Execution Report.

DTIC Science & Technology

1984-10-01

PRODUCTION OF ALUMINUM AIRFRAME COMPONENTS LURRENT METHODS OF MACHINING ALUMINIUM FORGINGS ARE EXPENSIVE AND REQUIRE AN EXCESSIVE NUMBER OF PARTS. 1 84...3l.4-0 0~..00a..~2 IIL8-S. U~ 8--11 4- 2IAU00’-0 .m0443. 0.0.0.-0IA A4 2 0 304 11.4UI - 8011 11-L 8- 42 I4I - .A 00 40 a..- J Wj Lj 4C t o~3.9. .44

Picosecond Laser Pulse Interactions with Metallic and Semiconducting Surfaces

DTIC Science & Technology

1990-01-31

Few Picoseconds," Nonlinear Opics and Ultrafast Phenomena, eds. R.R. Alfano and L.J. Rothberg, (Nova Publishers, NY 1990). J.K. Wang, P. Saeta, M...Etching," Materials Science and Engineering 97:325-328 (1988). Nonlinear Opics & Ultrafast Phenomena Eds. R.R. Alfano and L.J. Rothberg Publ. Nova, NY...Progress in Materials Science, ed. by J.W. Christian , P. Haasen and T.B. Massalski, Chalmers Anniversay Volume, 269, Pergamon (1981). 13. F. Spaepen

Simple, direct drug susceptibility testing technique for diagnosis of drug-resistant tuberculosis in resource-poor settings.

PubMed

Kim, C-K; Joo, Y-T; Lee, E P; Park, Y K; Kim, H-J; Kim, S J

2013-09-01

The Korean Institute of Tuberculosis, Seoul, Republic of Korea. To develop a simple, direct drug susceptibility testing (DST) technique using Kudoh-modified Ogawa (KMO) medium. The critical concentrations of isoniazid (INH), rifampicin (RMP), kanamycin (KM) and ofloxacin (OFX) for KMO medium were calibrated by comparing the minimal inhibitory concentrations (MICs) against clinical isolates of Mycobacterium tuberculosis on KMO with those on Löwenstein-Jensen (LJ). The performance of the direct KMO DST technique was evaluated on 186 smear-positive sputum specimens and compared with indirect LJ DST. Agreement of MICs on direct vs. indirect DST was high for INH, RMP and OFX. KM MICs on KMO were ∼10 g/ml higher than those on LJ. The critical concentrations of INH, RMP, OFX and KM for KMO were therefore set at 0.2, 40.0, 2.0, and 40.0 g/ml. The evaluation of direct DST of smear-positive sputum specimens showed 100% agreement with indirect LJ DST for INH and RMP. However, the respective susceptible and resistant predictive values were 98.8% and 100% for OFX, and 100% and 80% for KM. Direct DST using KMO is useful, with clear advantages of a shorter turnaround time, procedural simplicity and low cost compared to indirect DST. It may be most indicated in resource-poor settings for programmatic management of drug-resistant tuberculosis.

Predictors of delayed culture conversion among Ugandan patients.

PubMed

Atwine, Daniel; Orikiriza, Patrick; Taremwa, Ivan; Ayebare, Arnold; Logoose, Suzan; Mwanga-Amumpaire, Juliet; Jindani, Amina; Bonnet, Maryline

2017-04-24

Estimates of month-2 culture conversion, a proxy indicator of tuberculosis (TB) treatment efficacy in phase-2 trials can vary by culture-type and geographically with lower rates reported among African sites. The sub-study aimed at comparing TB detection rates of different culture media, within and across rifampicin-based regimens (R10, 15 and 20 mg/Kg) over a 6-month treatment follow-up period, and to establish predictors of month-2 culture non-conversion among HIV-negative TB patients enrolled at RIFATOX trial site in Uganda. Unlike in other Rifatox Trial sites, it is only in Uganda were Lowenstein-Jensen (LJ) and Mycobacteria growth indicator tube (MGIT) were used throughout 6-months for treatment monitoring. Conversion rates were compared at month-2, 4 and 6 across cultures and treatment-type. Binomial regression analysis performed for predictors of month-2 non-conversion. Of the 100 enrolled patients, 45% had converted based on combined LJ and MGIT by month-2, with no significant differences across treatment arms, p = 0.721. LJ exhibited higher conversion rates than MGIT at month-2 (58.4% vs 56.0%, p = 0.0707) and month-4 (98.9% vs 88.4%, p = 0.0391) respectively, more so within the high-dose rifampicin arms. All patients had converted by month-6. Time-to-TB detection (TTD) on MGIT and social service jobs independently predict month-2 non-conversion. The month-2 culture conversion used in phase 2 clinical trials as surrogate marker of treatment efficacy is influenced by the culture method used for monitoring mycobacterial response to TB treatment. Therefore, multi-centric TB therapeutic trials using early efficacy endpoint should use the same culture method across sites. The Time-to-detection of MTB on MGIT prior to treatment and working in Social service jobs bear an increased risk of culture non-conversion at month-2. ISRCTN ISRCTN55670677 . Registered 09th November 2010. Retrospectively registered.

Singularity Avoidance Strategies For Satellite Mounted Manipulators Using Attitude Control

DTIC Science & Technology

1998-05-01

raised concerns about these methods by noting the existence of dynamic singularities—SMM configura- tions where the GJM is rank deficient . They showed...form as, V = ejKi 9 T J- TK2J~ l lj-J~ TK2 j L \\J T - K2J~ l K2 Kiei 9 -xTBx (210) (211) The definiteness of the symmetric matrix B in

Construction of Synthetic Immunogens in View of Developing Orally-Active Anti-Enterotoxigenic E. coli Vaccines

DTIC Science & Technology

1989-05-31

toxin lj-chain Adjuvant materials MOP-Lys - aminocaproic murabutide 6-O-succinyl murabutide Experimental Methods and Results 5 HPLC Analysis Dosage of...containing other E.coli antigens as suggested by Ahren and Svennerholm. (49). The amino acid sequence of CFA1 is now available (50) as well as the...MOP. The method of Reissig (56) has been used. It allows to evaluate specifically the N-acetyl group substituted in the 2-position of the muramic acid

A Diagnostic Accuracy Study of Xpert®MTB/RIF in HIV-Positive Patients with High Clinical Suspicion of Pulmonary Tuberculosis in Lima, Peru

PubMed Central

Carriquiry, Gabriela; Otero, Larissa; González-Lagos, Elsa; Zamudio, Carlos; Sánchez, Eduardo; Nabeta, Pamela; Campos, Miguel; Echevarría, Juan; Seas, Carlos; Gotuzzo, Eduardo

2012-01-01

Background Diagnosis of pulmonary tuberculosis (TB) among human immunodeficiency virus (HIV) patients remains complex and demands easy to perform and accurate tests. Xpert®MTB/RIF (MTB/RIF) is a molecular TB diagnostic test which is rapid and convenient; the test requires minimal human resources and reports results within two hours. The majority of performance studies of MTB/RIF have been performed in high HIV burden settings, thus TB diagnostic studies among HIV patients in low HIV prevalence settings such as Peru are still needed. Methodology/Principal Findings From April 2010 to May 2011, HIV-positive patients with high clinical suspicion of TB were enrolled from two tertiary hospitals in Lima, Peru. Detection of TB by MTB/RIF was compared to a composite reference standard Löwenstein-Jensen (LJ) and liquid culture. Detection of rifampicin resistance was compared to the LJ proportion method. We included 131 patients, the median CD4 cell count was 154.5 cells/mm3 and 45 (34.4%) had TB. For TB detection among HIV patients, sensitivity of MTB/RIF was 97.8% (95% CI 88.4–99.6) (44/45); specificity was 97.7% (95% CI 91.9–99.4) (84/86); the positive predictive value was 95.7% (95% CI 85.5–98.8) (44/46); and the negative predictive value, 98.8% (95% CI 93.6–99.8) (84/85). MTB/RIF detected 13/14 smear-negative TB cases, outperforming smear microscopy [97.8% (44/45) vs. 68.9% (31/45); p = 0.0002]. For rifampicin resistance detection, sensitivity of MTB/RIF was 100% (95% CI 61.0–100.0) (6/6); specificity was 91.0% (95% CI 76.4–96.9) (30/33); the positive predictive value was 66.7% (95% CI 35.4–87.9) (6/9); and the negative predictive value was 100% (95% CI 88.7 –100.0) (30/30). Conclusions/Significance In HIV patients in our population with a high clinical suspicion of TB, MTB/RIF performed well for TB diagnosis and outperformed smear microscopy. PMID:22970271

Approaches to Learning or Levels of Processing: What Did Marton and Säljö (1976a) Really Say? the Legacy of the Work of the Göteborg Group in the 1970s

ERIC Educational Resources Information Center

Richardson, John T.

2015-01-01

Marton and Säljö ("Br J Educ Psychol" 46:4-11, 1976a) described deep-level and surface-level processing in experiments in which students read and recalled academic texts. They did not discuss whether levels of processing had any counterparts in students' everyday studies. However, their article is often credited as the source of the…

Efficient chemical potential evaluation with kinetic Monte Carlo method and non-uniform external potential: Lennard-Jones fluid, liquid, and solid

NASA Astrophysics Data System (ADS)

Ustinov, E. A.

2017-07-01

The aim of this paper is to present a method of a direct evaluation of the chemical potential of fluid, liquid, and solid with kinetic Monte Carlo simulation. The method is illustrated with the 12-6 Lennard-Jones (LJ) system over a wide range of density and temperature. A distinctive feature of the methodology used in the present study is imposing an external potential on the elongated simulation box to split the system into two equilibrium phases, one of which is substantially diluted. This technique provides a reliable direct evaluation of the chemical potential of the whole non-uniform system (including that of the uniformly distributed dense phase in the central zone of the box), which, for example, is impossible in simulation of the uniform crystalline phase. The parameters of the vapor-liquid, liquid-solid, and fluid-solid transitions have been reliably determined. The chemical potential and the pressure are defined as thermodynamically consistent functions of density and temperature separately for the liquid and the solid (FCC) phases. It has been shown that in two-phase systems separated by a flat interface, the crystal melting always occurs at equilibrium conditions. It is also proved that in the limit of zero temperature, the specific heat capacity of an LJ crystal at constant volume is exactly 3Rg (where Rg is the gas constant) without resorting to harmonic oscillators.

Global and critical test of the perturbation density-functional theory based on extensive simulation of Lennard-Jones fluid near an interface and in confined systems.

PubMed

Zhou, Shiqi; Jamnik, Andrej

2005-09-22

The structure of a Lennard-Jones (LJ) fluid subjected to diverse external fields maintaining the equilibrium with the bulk LJ fluid is studied on the basis of the third-order+second-order perturbation density-functional approximation (DFA). The chosen density and potential parameters for the bulk fluid correspond to the conditions situated at "dangerous" regions of the phase diagram, i.e., near the critical temperature or close to the gas-liquid coexistence curve. The accuracy of DFA predictions is tested against the results of a grand canonical ensemble Monte Carlo simulation. It is found that the DFA theory presented in this work performs successfully for the nonuniform LJ fluid only on the condition of high accuracy of the required bulk second-order direct correlation function. The present report further indicates that the proposed perturbation DFA is efficient and suitable for both supercritical and subcritical temperatures.

The Recent Evolution of a Symbiotic Ion Channel in the Legume Family Altered Ion Conductance and Improved Functionality in Calcium Signaling[C][W

PubMed Central

Venkateshwaran, Muthusubramanian; Cosme, Ana; Han, Lu; Banba, Mari; Satyshur, Kenneth A.; Schleiff, Enrico; Parniske, Martin; Imaizumi-Anraku, Haruko; Ané, Jean-Michel

2012-01-01

Arbuscular mycorrhiza and the rhizobia-legume symbiosis are two major root endosymbioses that facilitate plant nutrition. In Lotus japonicus, two symbiotic cation channels, CASTOR and POLLUX, are indispensable for the induction of nuclear calcium spiking, one of the earliest plant responses to symbiotic partner recognition. During recent evolution, a single amino acid substitution in DOES NOT MAKE INFECTIONS1 (DMI1), the POLLUX putative ortholog in the closely related Medicago truncatula, rendered the channel solo sufficient for symbiosis; castor, pollux, and castor pollux double mutants of L. japonicus were rescued by DMI1 alone, while both Lj-CASTOR and Lj-POLLUX were required for rescuing a dmi1 mutant of M. truncatula. Experimental replacement of the critical serine by an alanine in the selectivity filter of Lj-POLLUX conferred a symbiotic performance indistinguishable from DMI1. Electrophysiological characterization of DMI1 and Lj-CASTOR (wild-type and mutants) by planar lipid bilayer experiments combined with calcium imaging in Human Embryonic Kidney-293 cells expressing DMI1 (the wild type and mutants) suggest that the serine-to-alanine substitution conferred reduced conductance with a long open state to DMI1 and improved its efficiency in mediating calcium oscillations. We propose that this single amino acid replacement in the selectivity filter made DMI1 solo sufficient for symbiosis, thus explaining the selective advantage of this allele at the mechanistic level. PMID:22706284

Wetting properties of molecularly rough surfaces

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

Svoboda, Martin; Lísal, Martin, E-mail: lisal@icpf.cas.cz; Department of Physics, Institute of Science, J. E. Purkinje University, 400 96 Ústí n. Lab.

2015-09-14

We employ molecular dynamics simulations to study the wettability of nanoscale rough surfaces in systems governed by Lennard-Jones (LJ) interactions. We consider both smooth and molecularly rough planar surfaces. Solid substrates are modeled as a static collection of LJ particles arranged in a face-centered cubic lattice with the (100) surface exposed to the LJ fluid. Molecularly rough solid surfaces are prepared by removing several strips of LJ atoms from the external layers of the substrate, i.e., forming parallel nanogrooves on the surface. We vary the solid-fluid interactions to investigate strongly and weakly wettable surfaces. We determine the wetting properties bymore » measuring the equilibrium droplet profiles that are in turn used to evaluate the contact angles. Macroscopic arguments, such as those leading to Wenzel’s law, suggest that surface roughness always amplifies the wetting properties of a lyophilic surface. However, our results indicate the opposite effect from roughness for microscopically corrugated surfaces, i.e., surface roughness deteriorates the substrate wettability. Adding the roughness to a strongly wettable surface shrinks the surface area wet with the liquid, and it either increases or only marginally affects the contact angle, depending on the degree of liquid adsorption into the nanogrooves. For a weakly wettable surface, the roughness changes the surface character from lyophilic to lyophobic due to a weakening of the solid-fluid interactions by the presence of the nanogrooves and the weaker adsorption of the liquid into the nanogrooves.« less

Investigation of OMNIgene·SPUTUM performance in delayed tuberculosis testing by smear, culture, and Xpert MTB/RIF assays in Uganda.

PubMed

Kelly-Cirino, C D; Musisi, E; Byanyima, P; Kaswabuli, S; Andama, A; Sessolo, A; Sanyu, I; Zawedde, J; Curry, P S; Huang, L

2017-06-01

OMNIgene·SPUTUM (OM-S) is a sample transport reagent designed to work with all tuberculosis diagnostics while eliminating the need for cold chain. OM-S-treated sputum samples were assayed in several tests after multiday holds. Raw sputa from 100 patients underwent direct smear microscopy, were manually split and assigned to the OM-S group [OM-S added at collection (no other processing required) and tested after 0- to 5-day holds at room temperature] or standard-of-care (SOC) group (NaOH/N-acetyl l-cysteine decontamination, all tested on day of collection). Concentrated smear microscopy, Lowenstein Jensen (LJ) culture, and mycobacteria growth indicator tube (MGIT) culture were performed. For patients with negative direct smear, a second sample was split, with SOC (raw sputum) and OM-S portions (sediment) tested in the Xpert MTB/RIF (Xpert) assay. OM-S group and SOC group results were strongly concordant on all four tests [range, 89% (MGIT)-97% (Xpert)]. OM-S MGIT, LJ, and Xpert tests were in statistical agreement with SOC MGIT as reference. OM-S specimens had lower culture contamination rates (3% vs. 10% LJ; 2% vs. 5% MGIT) but required, on average, 5.6 additional days to become MGIT-positive. The findings suggest that samples held/transported in OM-S are compatible with smear microscopy, LJ or MGIT culture, and Xpert, and perform comparably to fresh sputum samples. Larger feasibility studies are warranted. Copyright © 2017. Published by Elsevier Ltd.

Reconciling the understanding of 'hydrophobicity' with physics-based models of proteins.

PubMed

Harris, Robert C; Pettitt, B Montgomery

2016-03-02

The idea that a 'hydrophobic energy' drives protein folding, aggregation, and binding by favoring the sequestration of bulky residues from water into the protein interior is widespread. The solvation free energies (ΔGsolv) of small nonpolar solutes increase with surface area (A), and the free energies of creating macroscopic cavities in water increase linearly with A. These observations seem to imply that there is a hydrophobic component (ΔGhyd) of ΔGsolv that increases linearly with A, and this assumption is widely used in implicit solvent models. However, some explicit-solvent molecular dynamics studies appear to contradict these ideas. For example, one definition (ΔG(LJ)) of ΔGhyd is that it is the free energy of turning on the Lennard-Jones (LJ) interactions between the solute and solvent. However, ΔG(LJ) decreases with A for alanine and glycine peptides. Here we argue that these apparent contradictions can be reconciled by defining ΔGhyd to be a near hard core insertion energy (ΔGrep), as in the partitioning proposed by Weeks, Chandler, and Andersen. However, recent results have shown that ΔGrep is not a simple function of geometric properties of the molecule, such as A and the molecular volume, and that the free energy of turning on the attractive part of the LJ potential cannot be computed from first-order perturbation theory for proteins. The theories that have been developed from these assumptions to predict ΔGhyd are therefore inadequate for proteins.

Charge-dependent many-body exchange and dispersion interactions in combined QM/MM simulations

NASA Astrophysics Data System (ADS)

Kuechler, Erich R.; Giese, Timothy J.; York, Darrin M.

2015-12-01

Accurate modeling of the molecular environment is critical in condensed phase simulations of chemical reactions. Conventional quantum mechanical/molecular mechanical (QM/MM) simulations traditionally model non-electrostatic non-bonded interactions through an empirical Lennard-Jones (LJ) potential which, in violation of intuitive chemical principles, is bereft of any explicit coupling to an atom's local electronic structure. This oversight results in a model whereby short-ranged exchange-repulsion and long-ranged dispersion interactions are invariant to changes in the local atomic charge, leading to accuracy limitations for chemical reactions where significant atomic charge transfer can occur along the reaction coordinate. The present work presents a variational, charge-dependent exchange-repulsion and dispersion model, referred to as the charge-dependent exchange and dispersion (QXD) model, for hybrid QM/MM simulations. Analytic expressions for the energy and gradients are provided, as well as a description of the integration of the model into existing QM/MM frameworks, allowing QXD to replace traditional LJ interactions in simulations of reactive condensed phase systems. After initial validation against QM data, the method is demonstrated by capturing the solvation free energies of a series of small, chlorine-containing compounds that have varying charge on the chlorine atom. The model is further tested on the SN2 attack of a chloride anion on methylchloride. Results suggest that the QXD model, unlike the traditional LJ model, is able to simultaneously obtain accurate solvation free energies for a range of compounds while at the same time closely reproducing the experimental reaction free energy barrier. The QXD interaction model allows explicit coupling of atomic charge with many-body exchange and dispersion interactions that are related to atomic size and provides a more accurate and robust representation of non-electrostatic non-bonded QM/MM interactions.

The Efficacy of LY293558 in Blocking Seizures and Associated Morphological, and Behavioral Alterations Induced by Soman in Immature Male Rats and the Role of the M1 Muscarinic Acetylcholine Receptor in Organophosphate Induced Seizures

DTIC Science & Technology

2015-01-30

Neurology 48:1363-7 140. Koliatsos VE, Martin LJ, Walker LC, Richardson RT, DeLong MR, Price DL. 1988. Topographic, non-collateralized basal...297-323 169. Martin LJ, Doebler JA, Shih TM, Anthony A. 1985. Protective effect of diazepam pretreatment on soman-induced brain lesion formation...G, Watson C. 2005. The rat brain in stereotaxic coordinates. Amsterdam ; Boston: Elsevier Academic Press 216. Petras JM. 1994. Neurology and

The Human Operator Simulator. Volume IX. HOS Study Guide.

DTIC Science & Technology

1978-09-01

Ad - 969*91 - 0 0 0 0 0 0 C L.J0 L.J0 - L.i0 LAdO - L~0 wO 0In dJO LAd0 16 1.dQ -WO I ~ PW0 U ~ ~. 46W 4~(.J .* - 4~~Ad 414 4’~ 4~J - 2 ~ ~ T - 4 6J0...only developed from a specific need, but it also grew out of what I consider to be an unusual and fortuitous series of experi- ences to which I had been

Internal Energy Transfer and Dissociation Model Development using Accelerated First-Principles Simulations of Hypersonic Flow Features

DTIC Science & Technology

2013-07-09

through a potential energy surface (PES), such as the simple Lennard - Jones (LJ) PES [23] shown in the inset of Fig. 3, which is given by the following...a  normal  shock  wave.  Inset  shows  a   simple   Lennard -­‐ Jones  (LJ)   potential  energy  surface  (PES)  dictating...model input into such simulations is the potential energy surface (PES) that governs individual atomic interaction forces, developed by chemists and

Electrochemistry of Anilines. II. Oxidation to Dications, Electrochemical and uv/vis Spectroelectrochemical Investigation.

DTIC Science & Technology

1984-01-06

NO-1 ARCUASSII 004-3K-40F /G74N L 2874 Lj6l 1.0= = aM22 1.2 1.1 1. 1. MICROCOP ’ RP’-OLLI’ION liT[* CHART %".NA. H~.Nt I -’AN, All - ,- A t$ CUeavr...The cyclic voltammogram of the methoxy compound -has been simulated by the orthogonal collocation method. Products of bulk electrolysis have been...spectroelectrochemical means. The cyclic volta-mocra. of the methoxy compound has been simulated by the orthoccna. collocation method. Products of bulk

Journey length and high temperatures: effects on rabbit welfare and meat quality.

PubMed

Liste, G; María, G A; Buil, T; García-Belenguer, S; Chacón, G; Olleta, J L; Sañudo, C; Villarroel, M

2006-02-01

The transport of domestic animals by road can increase levels of stress and decrease meat quality, especially in unfavourable climates. The purpose of this study was to investigate the effect of journey duration and vertical position on the transport truck on some physiological indicators of stress and on instrumental meat quality parameters in commercial rabbits. In the summer months (June and July, 2003), 78 rabbits were subjected to either long (7 h) (LJ) or short (1 h) (SJ) journeys (3 replicates each, n = 6) between the farm and an abattoir in northern Spain. The position (top, middle, or bottom) occupied by the rabbits on the Multi-Floor cage Rolling Stand (MFRS) of the transport truck was recorded. Blood samples were collected at sticking and meat pH was measured at 24 h post-mortem (pH24). At 48 h post-mortem, samples of the M. longissimus dorsi were used to determine water-holding capacity (WHC) and instrumental tenderness using an INSTRON machine. The levels of corticosterone, glucose, lactate, and creatine kinase were slightly higher in LJ than in SJ samples, but the difference was not statistically significant (p < or = 0.10). Independent of journey length, rabbits in the middle and bottom of the MFRS showed higher levels (p < or = 0.05) of glucose and creatine kinase (middle), and corticosterone (bottom) than the rabbits located at the top floor. The pH 24 and WHC values of the SJ and LJ rabbits did not differ significantly. Journey length had a significant effect (p < or = 0.01) on meat tenderness. The meat from rabbits subjected to LJ had higher values of maximum stress and total toughness than did the SJ rabbits (p < or = 0.05). There were similar differences (p < or = 0.05) between LJ and SJ rabbits in their stress values of compression at 20% and 40% (measures of the tenderness of raw meat). In hot weather, the position on the transport truck appeared to have a greater effect on rabbit welfare than the duration of the journey.

Measurement Methods and Metrics for Aircrew Assessment during Close-in Air-to-Air Combat

DTIC Science & Technology

1985-09-01

with respect to a group average). -. 9 V__ NAVAIRSYSCOM N00019-81-C-0098 0) WJ a. 0 . z ~~ C,) >QZ~a wI 0. 00 Oz w ZWI w .2D c <L (Ow W - z <<Mmz W wl...Education. Cronbach, L.J., and Meehl, P.E. (1955). Construct validity in psychological tests. Psycholoikical Bulletin, 92, 281 -302. 78 I I - .&A-. & 1

Average Run Lengths of an Optimal Method of Detecting a Change in Distribution.

DTIC Science & Technology

1983-09-01

Lemna 5 and Theorem 2(i)) P0(Hj < -) is of the order of magnitude of i/CA, choosing A, CA large enough will cause Po(Lj+I< Hj< )/Po(Hj< -) to be...1982) Section 6.3. With minor modifications, the proof is the same. One difference is that Woodroofe’s u n(Y n ) now has (ds) replaced by Wn ’ s W(ds

An Empirical Analysis of Life Jacket Effectiveness in Recreational Boating.

PubMed

Viauroux, Christelle; Gungor, Ali

2016-02-01

This article gives a measure of life jacket (LJ) effectiveness in U.S. recreational boating. Using the U.S. Coast Guard's Boating Accident Report Database from 2008 to 2011, we find that LJ wear is one of the most important determinants influencing the number of recreational boating fatalities, together with the number of vessels involved, and the type and engine of the vessel(s). We estimate a decrease in the number of deceased per vessel of about 80% when the operator wears their LJs compared to when they do not. The odds of dying are 86% higher than average if the accident involves a canoe or kayak, but 80% lower than average when more than one vessel is involved in the accident and 34% lower than average when the operator involved in the accident has more than 100 hours of boating experience. Interestingly, we find that LJ effectiveness decreases significantly as the length of the boat increases and decreases slightly as water temperature increases. However, it increases slightly as the operator's age increases. We find that between 2008 and 2011, an LJ regulation that requires all operators to wear their LJs-representing a 20% increase in wear rate-would have saved 1,721 (out of 3,047) boaters or 1,234 out of 2,185 drowning victims. The same policy restricted to boats 16-30 feet in length would have saved approximately 778 victims. Finally, we find that such a policy would reduce the percentage of drowning victims compared to other causes of death. © 2015 Society for Risk Analysis.

From sticky-hard-sphere to Lennard-Jones-type clusters

NASA Astrophysics Data System (ADS)

Trombach, Lukas; Hoy, Robert S.; Wales, David J.; Schwerdtfeger, Peter

2018-04-01

A relation MSHS →LJ between the set of nonisomorphic sticky-hard-sphere clusters MSHS and the sets of local energy minima ML J of the (m ,n ) -Lennard-Jones potential Vmn LJ(r ) =ɛ/n -m [m r-n-n r-m] is established. The number of nonisomorphic stable clusters depends strongly and nontrivially on both m and n and increases exponentially with increasing cluster size N for N ≳10 . While the map from MSHS→MSHS →LJ is noninjective and nonsurjective, the number of Lennard-Jones structures missing from the map is relatively small for cluster sizes up to N =13 , and most of the missing structures correspond to energetically unfavorable minima even for fairly low (m ,n ) . Furthermore, even the softest Lennard-Jones potential predicts that the coordination of 13 spheres around a central sphere is problematic (the Gregory-Newton problem). A more realistic extended Lennard-Jones potential chosen from coupled-cluster calculations for a rare gas dimer leads to a substantial increase in the number of nonisomorphic clusters, even though the potential curve is very similar to a (6,12)-Lennard-Jones potential.

Molecular dynamics simulation of real-fluid mutual diffusion coefficients with the Lennard-Jones potential model

NASA Astrophysics Data System (ADS)

Stoker, J. M.; Rowley, R. L.

1989-09-01

Mutual diffusion coefficients for selected alkanes in carbon tetrachloride were calculated using molecular dynamics and Lennard-Jones (LJ) potentials. Use of effective spherical LJ parameters is desirable when possible for two reasons: (i) computer time is saved due to the simplicity of the model and (ii) the number of parameters in the model is kept to a minimum. Results of this study indicate that mutual diffusivity is particularly sensitive to the molecular size cross parameter, σ12, and that the commonly used Lorentz-Berthelot rules are inadequate for mixtures in which the component structures differ significantly. Good agreement between simulated and experimental mutual diffusivities is obtained with a combining rule for σ12 which better represents these asymmetric mixtures using pure component LJ parameters obtained from self-diffusion coefficient data. The effect of alkane chain length on the mutual diffusion coefficient is correctly predicted. While the effects of alkane branching upon the diffusion coefficient are comparable in size to the uncertainty of these calculations, the qualitative trend due to branching is also correctly predicted by the MD results.

The importance of accurate interaction potentials in the melting of argon nanoclusters

NASA Astrophysics Data System (ADS)

Pahl, E.; Calvo, F.; Schwerdtfeger, P.

The melting temperatures of argon clusters ArN (N = 13, 55, 147, 309, 561, and 923) and of bulk argon have been obtained from exchange Monte Carlo simulations and are compared using different two-body interaction potentials, namely the standard Lennard-Jones (LJ), Aziz and extended Lennard-Jones (ELJ) potentials. The latter potential has many advantages: while maintaining the computational efficiency of the commonly used LJ potential, it is as accurate as the Aziz potential but the computer time scales more favorably with increasing cluster size. By applying the ELJ form and extrapolating the cluster data to the infinite system, we are able to extract the melting point of argon already in good agreement with experimental measurements. By considering the additional Axilrod-Teller three-body contribution as well, we calculate a melting temperature of T meltELJ = 84.7 K compared to the experimental value of T meltexp = 83.85 K, whereas the LJ potential underestimates the melting point by more than 7 K. Thus melting temperatures within 1 K accuracy are now feasible.

Exploring radar and lightning variables associated with the Lightning Jump. Can we predict the size of the hail?

NASA Astrophysics Data System (ADS)

Farnell, C.; Rigo, T.; Pineda, N.

2018-04-01

Severe weather regularly hits the Lleida Plain (western part of Catalonia, NE of Iberian Peninsula), causing important damage to the local agriculture. In order to help severe weather surveillance tasks, the Meteorological Service of Catalonia (SMC) implemented in 2016 the Lightning Jump (LJ) algorithm as operative warning tool after an exhaustive validation phase of several months. The present study delves into the analysis of the relationship between Lightning Jump alerts and hail occurrence, through the analysis of lightning and radar variables in the moment when the warning is issued. Overall, the study has consisted of the analysis of 149 cases, grouping them into two categories according to hail size: small and large hail, with a threshold of 2 cm of diameter. The thunderstorms related to big sized hail presented remarkable differences in some of the variables analysed that could help forecast the size of hail when the LJ alert is triggered. Moreover, other variables have been allowed to observe and to corroborate how the LJ algorithm works during the 13 min before the warning is triggered.

A test of systematic coarse-graining of molecular dynamics simulations: Thermodynamic properties

NASA Astrophysics Data System (ADS)

Fu, Chia-Chun; Kulkarni, Pandurang M.; Scott Shell, M.; Gary Leal, L.

2012-10-01

Coarse-graining (CG) techniques have recently attracted great interest for providing descriptions at a mesoscopic level of resolution that preserve fluid thermodynamic and transport behaviors with a reduced number of degrees of freedom and hence less computational effort. One fundamental question arises: how well and to what extent can a "bottom-up" developed mesoscale model recover the physical properties of a molecular scale system? To answer this question, we explore systematically the properties of a CG model that is developed to represent an intermediate mesoscale model between the atomistic and continuum scales. This CG model aims to reduce the computational cost relative to a full atomistic simulation, and we assess to what extent it is possible to preserve both the thermodynamic and transport properties of an underlying reference all-atom Lennard-Jones (LJ) system. In this paper, only the thermodynamic properties are considered in detail. The transport properties will be examined in subsequent work. To coarse-grain, we first use the iterative Boltzmann inversion (IBI) to determine a CG potential for a (1-ϕ)N mesoscale particle system, where ϕ is the degree of coarse-graining, so as to reproduce the radial distribution function (RDF) of an N atomic particle system. Even though the uniqueness theorem guarantees a one to one relationship between the RDF and an effective pairwise potential, we find that RDFs are insensitive to the long-range part of the IBI-determined potentials, which provides some significant flexibility in further matching other properties. We then propose a reformulation of IBI as a robust minimization procedure that enables simultaneous matching of the RDF and the fluid pressure. We find that this new method mainly changes the attractive tail region of the CG potentials, and it improves the isothermal compressibility relative to pure IBI. We also find that there are optimal interaction cutoff lengths for the CG system, as a function of ϕ, that are required to attain an adequate potential while maintaining computational speedup. To demonstrate the universality of the method, we test a range of state points for the LJ liquid as well as several LJ chain fluids.

On the equilibrium contact angle of sessile liquid drops from molecular dynamics simulations.

PubMed

Ravipati, Srikanth; Aymard, Benjamin; Kalliadasis, Serafim; Galindo, Amparo

2018-04-28

We present a new methodology to estimate the contact angles of sessile drops from molecular simulations by using the Gaussian convolution method of Willard and Chandler [J. Phys. Chem. B 114, 1954-1958 (2010)] to calculate the coarse-grained density from atomic coordinates. The iso-density contour with average coarse-grained density value equal to half of the bulk liquid density is identified as the average liquid-vapor (LV) interface. Angles between the unit normal vectors to the average LV interface and unit normal vector to the solid surface, as a function of the distance normal to the solid surface, are calculated. The cosines of these angles are extrapolated to the three-phase contact line to estimate the sessile drop contact angle. The proposed methodology, which is relatively easy to implement, is systematically applied to three systems: (i) a Lennard-Jones (LJ) drop on a featureless LJ 9-3 surface; (ii) an SPC/E water drop on a featureless LJ 9-3 surface; and (iii) an SPC/E water drop on a graphite surface. The sessile drop contact angles estimated with our methodology for the first two systems are shown to be in good agreement with the angles predicted from Young's equation. The interfacial tensions required for this equation are computed by employing the test-area perturbation method for the corresponding planar interfaces. Our findings suggest that the widely adopted spherical-cap approximation should be used with caution, as it could take a long time for a sessile drop to relax to a spherical shape, of the order of 100 ns, especially for water molecules initiated in a lattice configuration on a solid surface. But even though a water drop can take a long time to reach the spherical shape, we find that the contact angle is well established much faster and the drop evolves toward the spherical shape following a constant-contact-angle relaxation dynamics. Making use of this observation, our methodology allows a good estimation of the sessile drop contact angle values even for moderate system sizes (with, e.g., 4000 molecules), without the need for long simulation times to reach the spherical shape.

On the equilibrium contact angle of sessile liquid drops from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Ravipati, Srikanth; Aymard, Benjamin; Kalliadasis, Serafim; Galindo, Amparo

2018-04-01

We present a new methodology to estimate the contact angles of sessile drops from molecular simulations by using the Gaussian convolution method of Willard and Chandler [J. Phys. Chem. B 114, 1954-1958 (2010)] to calculate the coarse-grained density from atomic coordinates. The iso-density contour with average coarse-grained density value equal to half of the bulk liquid density is identified as the average liquid-vapor (LV) interface. Angles between the unit normal vectors to the average LV interface and unit normal vector to the solid surface, as a function of the distance normal to the solid surface, are calculated. The cosines of these angles are extrapolated to the three-phase contact line to estimate the sessile drop contact angle. The proposed methodology, which is relatively easy to implement, is systematically applied to three systems: (i) a Lennard-Jones (LJ) drop on a featureless LJ 9-3 surface; (ii) an SPC/E water drop on a featureless LJ 9-3 surface; and (iii) an SPC/E water drop on a graphite surface. The sessile drop contact angles estimated with our methodology for the first two systems are shown to be in good agreement with the angles predicted from Young's equation. The interfacial tensions required for this equation are computed by employing the test-area perturbation method for the corresponding planar interfaces. Our findings suggest that the widely adopted spherical-cap approximation should be used with caution, as it could take a long time for a sessile drop to relax to a spherical shape, of the order of 100 ns, especially for water molecules initiated in a lattice configuration on a solid surface. But even though a water drop can take a long time to reach the spherical shape, we find that the contact angle is well established much faster and the drop evolves toward the spherical shape following a constant-contact-angle relaxation dynamics. Making use of this observation, our methodology allows a good estimation of the sessile drop contact angle values even for moderate system sizes (with, e.g., 4000 molecules), without the need for long simulation times to reach the spherical shape.

The United States Army Medical Department Journal. October - December 2010

DTIC Science & Technology

2010-12-01

Fail, Just Ask Them 65 Carita DeVilbiss, PhD; Valerie J. Rice, PhD; Linda Laws; Petra Alfred Understanding the Leadership and Cultural Dimensions...educators prepared to affect the affective domain? Natl Forum Teach Educ J [serial online], 2006;16(3E):2005-2006. 17. Martin BL, Briggs LJ. The...J. Rice, PhD Linda Laws Petra Alfred ABSTRACT One method to discover possible reasons why individuals fail academic training is to ask them

Technical Report for the Period 1 January 1963 to 30 June 1963

DTIC Science & Technology

1963-08-23

mixed mononitrates with periodic acid to remove glycerol 1 -nitrate; glycerol 2-nitrate di-4-nitrobenzoate, m.p. 1520C, has been prepared. Nitration of...Based on Phenazine Preparation of polymers from dibasic acids (e.g. adipic and terephthalic) and dihydrophenazine by various methods was attempted but...L.J. Hydrogen Bonding in WAC and Pace, R.J. Carboxylic Acids - 142/031 I. Oxalic Acids Spectrochim. Acta, 1963, 19, 435 Bellamy, L.J., - ditto - Luke

Literature Search for New Physical Methods of Biological Aerosol Detection

DTIC Science & Technology

1985-04-01

alkaline medium were first tried) to give absorption maxima close to the wavelength of the laser. Pesticides in natural water were also derivatized and...10, p313-318: Identification of Infrared Spectra by Correlation- Based File Searching. 146 19 8 Ferraro J.R. and Basile L.J., Editors; Fourier...D.G. and Vldrine D.W., Analy. Chem., v.54, p546-548: Photoacoustic TR Spectra in the Investigation of Bonding Effects in Formulated Pesticides . [Used

A reference-modified density functional theory: An application to solvation free-energy calculations for a Lennard-Jones solution.

PubMed

Sumi, Tomonari; Maruyama, Yutaka; Mitsutake, Ayori; Koga, Kenichiro

2016-06-14

In the conventional classical density functional theory (DFT) for simple fluids, an ideal gas is usually chosen as the reference system because there is a one-to-one correspondence between the external field and the density distribution function, and the exact intrinsic free-energy functional is available for the ideal gas. In this case, the second-order density functional Taylor series expansion of the excess intrinsic free-energy functional provides the hypernetted-chain (HNC) approximation. Recently, it has been shown that the HNC approximation significantly overestimates the solvation free energy (SFE) for an infinitely dilute Lennard-Jones (LJ) solution, especially when the solute particles are several times larger than the solvent particles [T. Miyata and J. Thapa, Chem. Phys. Lett. 604, 122 (2014)]. In the present study, we propose a reference-modified density functional theory as a systematic approach to improve the SFE functional as well as the pair distribution functions. The second-order density functional Taylor series expansion for the excess part of the intrinsic free-energy functional in which a hard-sphere fluid is introduced as the reference system instead of an ideal gas is applied to the LJ pure and infinitely dilute solution systems and is proved to remarkably improve the drawbacks of the HNC approximation. Furthermore, the third-order density functional expansion approximation in which a factorization approximation is applied to the triplet direct correlation function is examined for the LJ systems. We also show that the third-order contribution can yield further refinements for both the pair distribution function and the excess chemical potential for the pure LJ liquids.

Computational studies of the glass-forming ability of model bulk metallic glasses

NASA Astrophysics Data System (ADS)

Zhang, Kai; Wang, Minglei; Papanikolaou, Stefanos; Liu, Yanhui; Schroers, Jan; Shattuck, Mark D.; O'Hern, Corey S.

2013-09-01

Bulk metallic glasses (BMGs) are produced by rapidly thermally quenching supercooled liquid metal alloys below the glass transition temperature at rates much faster than the critical cooling rate Rc below which crystallization occurs. The glass-forming ability of BMGs increases with decreasing Rc, and thus good glass-formers possess small values of Rc. We perform molecular dynamics simulations of binary Lennard-Jones (LJ) mixtures to quantify how key parameters, such as the stoichiometry, particle size difference, attraction strength, and heat of mixing, influence the glass-formability of model BMGs. For binary LJ mixtures, we find that the best glass-forming mixtures possess atomic size ratios (small to large) less than 0.92 and stoichiometries near 50:50 by number. In addition, weaker attractive interactions between the smaller atoms facilitate glass formation, whereas negative heats of mixing (in the experimentally relevant regime) do not change Rc significantly. These results are tempered by the fact that the slowest cooling rates achieved in our simulations correspond to ˜1011 K/s, which is several orders of magnitude higher than Rc for typical BMGs. Despite this, our studies represent a first step in the development of computational methods for quantitatively predicting glass-formability.

Photoionization of the beryllium isoelectronic sequence: Relativistic and nonrelativistic R-matrix calculations

NASA Astrophysics Data System (ADS)

Chu, Wei-Chun

The photoionization of the beryllium-like isoelectronic series has been studied. The bound state wave functions of the target ions were built with CIV3 program. The relativistic Breit-Pauli R-matrix method was used to calculate the cross sections in the photon energy range between the ionization threshold and 1s24 f7/2 threshold for each ion. For the total cross sections of Be, B+, C+2, N+3, and O +4, our results match experiment well. The comparison between the present work and other theoretical works are also discussed. We show the comparison with our LS results as it indicates the importance of relativistic effects on different ions. In the analysis, the resonances converging to 1 s22lj and 1s 23lj were identified and characterized with quantum defects, energies and widths using the eigenphase sum methodology. We summarize the general appearance of resonances along the resonance series and along the isoelectronic sequence. Partial cross sections are also reported systematically along the sequence. All calculations were performed on the NERSC system. INDEX WORDS: Photoionization, R-matrix, Cross section, Beryllium-like ion, Resonance

Modified-hypernetted-chain determination of the phase diagram of rigid C60 molecules

NASA Astrophysics Data System (ADS)

Caccamo, C.

1995-02-01

The modified-hypernetted-chain theory is applied to the determination of the phase diagram of the Lennard-Jones (LJ) fluid, and of a model of C60 previously investigated [Phys. Rev. Lett. 71, 1200 (1993)] through molecular-dynamics (MD) simulation and a different theoretical approach. In the LJ case the agreement with available MD data is quantitative and superior to other theories. For C60, the phase diagram obtained is in quite good agreement with previous MD results: in particular, the theory confirms the existence of a liquid phase between 1600 and 1920 K, the estimated triple point and critical temperature, respectively.

American River Watershed Investigation, California. Volume 2. Appendixes F-L

DTIC Science & Technology

1991-12-01

j ) 0 U~ - T a< a:a LUi -LJ > Wr 0 ww o I - o w zo 00 ww z. L~ cc 6...At 40.’ U . * J ." 466.00_~I IEA A 432. 601111 CAN a t 417.96 4800 0--:-- -f 10"~tfl _ _ _ W O N d ~ i e -w $ SC 1 I N ) T HR U F PL P SC el. 183.00...500 450 SPILLWAY CREST ELEVATION 418.0 FT 400 - J 15- - .. 00 P o --lJ 300 , 0 100 200 300 400 500 CAF/1 AREA, in thousand acres 5 6 7 t 9 10 It 12 I

Molecular-dynamics simulation of mutual diffusion in nonideal liquid mixtures

NASA Astrophysics Data System (ADS)

Rowley, R. L.; Stoker, J. M.; Giles, N. F.

1991-05-01

The mutual-diffusion coefficients, D 12, of n-hexane, n-heptane, and n-octane in chloroform were modeled using equilibrium molecular-dynamics (MD) simulations of simple Lennard-Jones (LJ) fluids. Pure-component LJ parameters were obtained by comparison of simulations to experimental self-diffusion coefficients. While values of “effective” LJ parameters are not expected to simulate accurately diverse thermophysical properties over a wide range of conditions, it was recently shown that effective parameters obtained from pure self-diffusion coefficients can accurately model mutual diffusion in ideal, liquid mixtures. In this work, similar simulations are used to model diffusion in nonideal mixtures. The same combining rules used in the previous study for the cross-interaction parameters were found to be adequate to represent the composition dependence of D 12. The effect of alkane chain length on D 12 is also correctly predicted by the simulations. A commonly used assumption in empirical correlations of D 12, that its kinetic portion is a simple, compositional average of the intradiffusion coefficients, is inconsistent with the simulation results. In fact, the value of the kinetic portion of D 12 was often outside the range of values bracketed by the two intradiffusion coefficients for the nonideal system modeled here.

Transcriptome Analysis of an Anthracnose-Resistant Tea Plant Cultivar Reveals Genes Associated with Resistance to Colletotrichum camelliae

PubMed Central

Wang, Lu; Wang, Yuchun; Cao, Hongli; Hao, Xinyuan; Zeng, Jianming; Yang, Yajun; Wang, Xinchao

2016-01-01

Tea plant breeding is a topic of great economic importance. However, disease remains a major cause of yield and quality losses. In this study, an anthracnose-resistant cultivar, ZC108, was developed. An infection assay revealed different responses to Colletotrichum sp. infection between ZC108 and its parent cultivar LJ43. ZC108 had greater resistance than LJ43 to Colletotrichum camelliae. Additionally, ZC108 exhibited earlier sprouting in the spring, as well as different leaf shape and plant architecture. Microarray data revealed that the genes that are differentially expressed between LJ43 and ZC108 mapped to secondary metabolism-related pathways, including phenylpropanoid biosynthesis, phenylalanine metabolism, and flavonoid biosynthesis pathways. In addition, genes involved in plant hormone biosynthesis and signaling as well as plant-pathogen interaction pathways were also changed. Quantitative real-time PCR was used to examine the expression of 27 selected genes in infected and uninfected tea plant leaves. Genes encoding a MADS-box transcription factor, NBS-LRR disease-resistance protein, and phenylpropanoid metabolism pathway components (CAD, CCR, POD, beta-glucosidase, ALDH and PAL) were among those differentially expressed in ZC108. PMID:26849553

Big Bang Cosmic Titanic: Cause for Concern?

NASA Astrophysics Data System (ADS)

Gentry, Robert

2013-04-01

This abstract alerts physicists to a situation that, unless soon addressed, may yet affect PRL integrity. I refer to Stanley Brown's and DAE Robert Caldwell's rejection of PRL submission LJ12135, A Cosmic Titanic: Big Bang Cosmology Unravels Upon Discovery of Serious Flaws in Its Foundational Expansion Redshift Assumption, by their claim that BB is an established theory while ignoring our paper's Titanic, namely, that BB's foundational spacetime expansion redshifts assumption has now been proven to be irrefutably false because it is contradicted by our seminal discovery that GPS operation unequivocally proves that GR effects do not produce in-flight photon wavelength changes demanded by this central assumption. This discovery causes the big bang to collapse as quickly as did Ptolemaic cosmology when Copernicus discovered its foundational assumption was heliocentric, not geocentric. Additional evidence that something is amiss in PRL's treatment of LJ12135 comes from both Brown and EiC Gene Spouse agreeing to meet at my exhibit during last year's Atlanta APS to discuss this cover-up issue. Sprouse kept his commitment; Brown didn't. Question: If Brown could have refuted my claim of a cover-up, why didn't he come to present it before Gene Sprouse? I am appealing LJ12135's rejection.

Common fixed points in best approximation for Banach operator pairs with Ciric type I-contractions

NASA Astrophysics Data System (ADS)

Hussain, N.

2008-02-01

The common fixed point theorems, similar to those of Ciric [Lj.B. Ciric, On a common fixed point theorem of a Gregus type, Publ. Inst. Math. (Beograd) (N.S.) 49 (1991) 174-178; Lj.B. Ciric, On Diviccaro, Fisher and Sessa open questions, Arch. Math. (Brno) 29 (1993) 145-152; Lj.B. Ciric, On a generalization of Gregus fixed point theorem, Czechoslovak Math. J. 50 (2000) 449-458], Fisher and Sessa [B. Fisher, S. Sessa, On a fixed point theorem of Gregus, Internat. J. Math. Math. Sci. 9 (1986) 23-28], Jungck [G. Jungck, On a fixed point theorem of Fisher and Sessa, Internat. J. Math. Math. Sci. 13 (1990) 497-500] and Mukherjee and Verma [R.N. Mukherjee, V. Verma, A note on fixed point theorem of Gregus, Math. Japon. 33 (1988) 745-749], are proved for a Banach operator pair. As applications, common fixed point and approximation results for Banach operator pair satisfying Ciric type contractive conditions are obtained without the assumption of linearity or affinity of either T or I. Our results unify and generalize various known results to a more general class of noncommuting mappings.

Enhanced Albumin Synthesis in Severely Burned Adults

DTIC Science & Technology

2010-10-01

changes in albumin syn- thesis in relation to changes in albumin levels. MATERIALS AND METHODS Sterile stable isotope ring-d5- phenylalanine (d5... phenylalanine ) and 5,5,5- d3-ketoisocaproic acid (d3-KIC, potassium salt) were purchased from Cam- bridge Isotope Laboratories (Andover, Mass). Sterile...hypermetabolic state. Stable isotope solutions of d5- phenylalanine (80 2mol I mL j1) and d3-KIC (120 2mol I mLj1) were prepared at the Pharmacy

[Evaluation of mycobacterial microscopy and culture results of Sureyyapasa Chest Diseases and Chest Surgery Training and Research Hospital: A 3-year analysis].

PubMed

Akduman Alaşehir, Elçin; Balıkçı, Ahmet; Partal, Mualla; Çatmabacak, Gülay; Yaman, Görkem

2016-09-01

Effective diagnosis of tuberculosis is of great importance for transmission control and treatment success. The purpose of this study is to evaluate microscopic examination results of Ehrlich-Ziehl Neelsen (EZN) and Auramine-Rhodamine staining methods and automated BACTEC MGIT 960™ system and Löwenstein-Jensen (L-J) culture results of various clinical samples in the light of recent data from the world and Turkey. Specimens that were sent from various clinics to Sureyyapasa Chest Diseases and Chest Surgery Training and Research Hospital Microbiology Laboratory from January 2012 to December 2015 were evaluated retrospectively. From a total of 62456 samples; 60923 (97.5%) were pulmonary and 1533 (2.5%) were non-pulmonary samples, especially pleura. 2853 (4.6%) Acid-resistant bacilli (ARB) positivity was detected and mycobacterial culture positivity was in total 12.2%. 7076 (93%) and 535 (7%) mycobacteria other than tuberculosis (MOTT) strains were isolated. In 356 specimens the cultures were negative in despite the positive ARB results. Considering mycobacterial culture as the gold standard; the sensitivity, specificity, positive and negative predictive values of ARB microscopy were 32.8%, 99.4%, 87.5% and 91.4%, respectively. The contamination rates in total were within acceptable limits being 2.7% for L-J and 3.8% for MGIT. Analysis of our data indicated that the sensitivity of microscopy is low and it should be evaluated together with the mycobacterial culture to rule out tuberculosis infection. With the use of fluorescent staining and also L-J and MGIT broth together for routine culture since 2013; ARB false negativity rate was observed to fall to 51.7% from 74.1% compared to the years. The follow-up of data such as the sensitivity of microscopy, culture positivity, false-positivity and false-negativity rates and contamination values is of great importance in terms of assessing compliance with laboratory quality standards and contributing to the surveillance studies.

Charge-dependent many-body exchange and dispersion interactions in combined QM/MM simulations

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

Kuechler, Erich R.; Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431; Giese, Timothy J.

2015-12-21

Accurate modeling of the molecular environment is critical in condensed phase simulations of chemical reactions. Conventional quantum mechanical/molecular mechanical (QM/MM) simulations traditionally model non-electrostatic non-bonded interactions through an empirical Lennard-Jones (LJ) potential which, in violation of intuitive chemical principles, is bereft of any explicit coupling to an atom’s local electronic structure. This oversight results in a model whereby short-ranged exchange-repulsion and long-ranged dispersion interactions are invariant to changes in the local atomic charge, leading to accuracy limitations for chemical reactions where significant atomic charge transfer can occur along the reaction coordinate. The present work presents a variational, charge-dependent exchange-repulsion andmore » dispersion model, referred to as the charge-dependent exchange and dispersion (QXD) model, for hybrid QM/MM simulations. Analytic expressions for the energy and gradients are provided, as well as a description of the integration of the model into existing QM/MM frameworks, allowing QXD to replace traditional LJ interactions in simulations of reactive condensed phase systems. After initial validation against QM data, the method is demonstrated by capturing the solvation free energies of a series of small, chlorine-containing compounds that have varying charge on the chlorine atom. The model is further tested on the S{sub N}2 attack of a chloride anion on methylchloride. Results suggest that the QXD model, unlike the traditional LJ model, is able to simultaneously obtain accurate solvation free energies for a range of compounds while at the same time closely reproducing the experimental reaction free energy barrier. The QXD interaction model allows explicit coupling of atomic charge with many-body exchange and dispersion interactions that are related to atomic size and provides a more accurate and robust representation of non-electrostatic non-bonded QM/MM interactions.« less

Gas-liquid nucleation in a two dimensional system

NASA Astrophysics Data System (ADS)

Santra, Mantu; Chakrabarty, Suman; Bagchi, Biman

2008-12-01

We study the nucleation of liquid phase from a supersaturated vapor in two dimensions, where the particles interact through Lennard-Jones (LJ) pairwise potential. Using different Monte Carlo simulation methods, we calculate the free energy barrier for nucleation, the line tension, and bulk densities of equilibrium liquid and vapor phases, and also investigate the size and shape of the critical nucleus. The study is carried out at an intermediate level of supersaturation (away from the spinodal limit). In two dimensions, a surprisingly large cutoff (rc≥7.0σ, σ is the diameter of LJ particles) in the truncation of the LJ potential is required to obtain converged results. A lower cutoff [typically 2.5σ which is generally sufficient in three dimensional (3D) studies] leads to a substantial error in the values of the line tension, nucleation barrier, and characteristics of the critical cluster. It is found that in two dimensions, the classical nucleation theory (CNT) fails to provide a reliable estimate of the free energy barrier. It underestimates the barrier by as much as 50% at the saturation ratio S =1.1 (defined as S =P/PC, where PC is the coexistence pressure) and at the reduced temperature T∗=0.427 (defined as T∗=kBT/ɛ, where ɛ is the depth of the potential well). Interestingly, CNT has been found to overestimate the nucleation free energy barrier in 3D systems near the triple point. In fact, the agreement of the calculated nucleation rate with CNT is much worse in two dimensions than in three dimensions. The reason for the inadequacy of the CNT can be attributed to the noncircular nature of the critical clusters. Although the shape becomes increasingly circular and the clusters become more compact with increase in cutoff radius, an appreciable noncircular nature remains even without any cutoff to make the simple CNT inaccurate.

The Voronoi volume and molecular representation of molar volume: equilibrium simple fluids.

PubMed

Hunjan, Jagtar Singh; Eu, Byung Chan

2010-04-07

The Voronoi volume of simple fluids was previously made use of in connection with volume transport phenomena in nonequilibrium simple fluids. To investigate volume transport phenomena, it is important to develop a method to compute the Voronoi volume of fluids in nonequilibrium. In this work, as a first step to this goal, we investigate the equilibrium limit of the nonequilibrium Voronoi volume together with its attendant related molar (molal) and specific volumes. It is proved that the equilibrium Voronoi volume is equivalent to the molar (molal) volume. The latter, in turn, is proved equivalent to the specific volume. This chain of equivalences provides an alternative procedure of computing the equilibrium Voronoi volume from the molar volume/specific volume. We also show approximate methods of computing the Voronoi and molar volumes from the information on the pair correlation function. These methods may be employed for their quick estimation, but also provide some aspects of the fluid structure and its relation to the Voronoi volume. The Voronoi volume obtained from computer simulations is fitted to a function of temperature and pressure in the region above the triple point but below the critical point. Since the fitting function is given in terms of reduced variables for the Lennard-Jones (LJ) model and the kindred volumes (i.e., specific and molar volumes) are in essence equivalent to the equation of state, the formula obtained is a reduced equation state for simple fluids obeying the LJ model potential in the range of temperature and pressure examined and hence can be used for other simple fluids.

Towards the Irving-Kirkwood limit of the mechanical stress tensor

NASA Astrophysics Data System (ADS)

Smith, E. R.; Heyes, D. M.; Dini, D.

2017-06-01

The probability density functions (PDFs) of the local measure of pressure as a function of the sampling volume are computed for a model Lennard-Jones (LJ) fluid using the Method of Planes (MOP) and Volume Averaging (VA) techniques. This builds on the study of Heyes, Dini, and Smith [J. Chem. Phys. 145, 104504 (2016)] which only considered the VA method for larger subvolumes. The focus here is typically on much smaller subvolumes than considered previously, which tend to the Irving-Kirkwood limit where the pressure tensor is defined at a point. The PDFs from the MOP and VA routes are compared for cubic subvolumes, V =ℓ3. Using very high grid-resolution and box-counting analysis, we also show that any measurement of pressure in a molecular system will fail to exactly capture the molecular configuration. This suggests that it is impossible to obtain the pressure in the Irving-Kirkwood limit using the commonly employed grid based averaging techniques. More importantly, below ℓ ≈3 in LJ reduced units, the PDFs depart from Gaussian statistics, and for ℓ =1.0 , a double peaked PDF is observed in the MOP but not VA pressure distributions. This departure from a Gaussian shape means that the average pressure is not the most representative or common value to arise. In addition to contributing to our understanding of local pressure formulas, this work shows a clear lower limit on the validity of simply taking the average value when coarse graining pressure from molecular (and colloidal) systems.

Towards the Irving-Kirkwood limit of the mechanical stress tensor.

PubMed

Smith, E R; Heyes, D M; Dini, D

2017-06-14

The probability density functions (PDFs) of the local measure of pressure as a function of the sampling volume are computed for a model Lennard-Jones (LJ) fluid using the Method of Planes (MOP) and Volume Averaging (VA) techniques. This builds on the study of Heyes, Dini, and Smith [J. Chem. Phys. 145, 104504 (2016)] which only considered the VA method for larger subvolumes. The focus here is typically on much smaller subvolumes than considered previously, which tend to the Irving-Kirkwood limit where the pressure tensor is defined at a point. The PDFs from the MOP and VA routes are compared for cubic subvolumes, V=ℓ 3 . Using very high grid-resolution and box-counting analysis, we also show that any measurement of pressure in a molecular system will fail to exactly capture the molecular configuration. This suggests that it is impossible to obtain the pressure in the Irving-Kirkwood limit using the commonly employed grid based averaging techniques. More importantly, below ℓ≈3 in LJ reduced units, the PDFs depart from Gaussian statistics, and for ℓ=1.0, a double peaked PDF is observed in the MOP but not VA pressure distributions. This departure from a Gaussian shape means that the average pressure is not the most representative or common value to arise. In addition to contributing to our understanding of local pressure formulas, this work shows a clear lower limit on the validity of simply taking the average value when coarse graining pressure from molecular (and colloidal) systems.

Towards the Irving-Kirkwood limit of the mechanical stress tensor

PubMed Central

Heyes, D. M.; Dini, D.

2017-01-01

The probability density functions (PDFs) of the local measure of pressure as a function of the sampling volume are computed for a model Lennard-Jones (LJ) fluid using the Method of Planes (MOP) and Volume Averaging (VA) techniques. This builds on the study of Heyes, Dini, and Smith [J. Chem. Phys. 145, 104504 (2016)] which only considered the VA method for larger subvolumes. The focus here is typically on much smaller subvolumes than considered previously, which tend to the Irving-Kirkwood limit where the pressure tensor is defined at a point. The PDFs from the MOP and VA routes are compared for cubic subvolumes, V=ℓ3. Using very high grid-resolution and box-counting analysis, we also show that any measurement of pressure in a molecular system will fail to exactly capture the molecular configuration. This suggests that it is impossible to obtain the pressure in the Irving-Kirkwood limit using the commonly employed grid based averaging techniques. More importantly, below ℓ≈3 in LJ reduced units, the PDFs depart from Gaussian statistics, and for ℓ=1.0, a double peaked PDF is observed in the MOP but not VA pressure distributions. This departure from a Gaussian shape means that the average pressure is not the most representative or common value to arise. In addition to contributing to our understanding of local pressure formulas, this work shows a clear lower limit on the validity of simply taking the average value when coarse graining pressure from molecular (and colloidal) systems. PMID:29166053

Development of an Automated Micro-Computer Knowledge-Based Integrated Configuration Management System for the Stock Point Logistics Integrated Communications Environment (SPLICE) Project Management Staff.

DTIC Science & Technology

1986-03-01

Installation Cost Real Basic Monthly Maintenance Cost Real -" . I 2 ! UU LU uj ~~ LA . ~z LU J LLU 151 APPENDIX B: MAINTENANCE MANUAL Page 15 -LJ uLA- u’Il -LJ...bl 59748.0 9 09 NARDAC JACKSONVILLE, FL, 2 2 VIII A S 188471.0 10 10 NARDAC NEW ORLEANS, LA 2 2 P A S 73918.0 11 11 NARDAC NORFOLK, VA 2 2 VIII A S...1366 Beqin 1367 FOR Row =0 to 5 LWJ 1368 FOR Col 1 to 3 DO 1369 Beqin 1370 Subtotals [Row, Coll := 0; 1371 IF Col ( 3 TIEN Totals

Esophageal atresia

MedlinePlus

Madanick R, Orlando RC. Anatomy, histology, embryology, and developmental anomalies of the esophagus. In: Feldman M, Friedman LS, Brandt LJ, eds. Sleisenger and Fordtran's Gastrointestinal and Liver ...

On the kinetics of the capillary imbibition of a simple fluid through a designed nanochannel using the molecular dynamics simulation approach.

PubMed

Ahadian, Samad; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

2010-12-15

A molecular dynamics (MD) approach was employed to simulate the imbibition of a designed nanopore by a simple fluid (i.e., a Lennard-Jones (LJ) fluid). The length of imbibition as a function of time for various interactions between the LJ fluid and the pore wall was recorded for this system (i.e., the LJ fluid and the nanopore). By and large, the kinetics of imbibition was successfully described by the Lucas-Washburn (LW) equation, although deviation from it was observed in some cases. This lack of agreement is due to the neglect of the dynamic contact angle (DCA) in the LW equation. Two commonly used models (i.e., hydrodynamic and molecular-kinetic (MK) models) were thus employed to calculate the DCA. It is demonstrated that the MK model is able to justify the simulation results in which are not in good agreement with the simple LW equation. However, the hydrodynamic model is not capable of doing that. Further investigation of the MD simulation data revealed an interesting fact that there is a direct relationship between the wall-fluid interaction and the speed of the capillary imbibition. More evidence to support this claim is presented. Copyright © 2010 Elsevier Inc. All rights reserved.

A methodological approach for the biomechanical cause analysis of golf-related lumbar spine injuries.

PubMed

Sim, Taeyong; Jang, Dong-Jin; Oh, Euichaul

2014-01-01

A new methodological approach employing mechanical work (MW) determination and relative portion of its elemental analysis was applied to investigate the biomechanical causes of golf-related lumbar spine injuries. Kinematic and kinetic parameters at the lumbar and lower limb joints were measured during downswing in 18 golfers. The MW at the lumbar joint (LJ) was smaller than at the right hip but larger than the MWs at other joints. The contribution of joint angular velocity (JAV) to MW was much greater than that of net muscle moment (NMM) at the LJ, whereas the contribution of NMM to MW was greater rather than or similar to that of JAV at other joints. Thus, the contribution of JAV to MW is likely more critical in terms of the probability of golf-related injury than that of NMM. The MW-based golf-related injury index (MWGII), proposed as the ratio of the contribution of JAV to MW to that of NMM, at the LJ (1.55) was significantly greater than those at other joints ( < 1.05). This generally corresponds to the most frequent occurrence of golf-related injuries around the lumbar spine. Therefore, both MW and MWGII should be considered when investigating the biomechanical causes of lumbar spine injuries.

Analysis of two potential long-distance signaling molecules, LjCLE-RS1/2 and jasmonic acid, in a hypernodulating mutant too much love.

PubMed

Magori, Shimpei; Kawaguchi, Masayoshi

2010-04-01

Legume plants tightly control the number and development of root nodules. This is partly regulated by a long-distance signaling known as auto-regulation of nodulation (AON). AON signaling involves at least two potential long-distance signals: root-derived signal and shoot-derived signal. However, their molecular characteristics and the mode of action remain unclear. In our recent study, we isolated a novel Lotus japonicus hypernodulating mutant too much love (tml). Based on several grafting experiments, we concluded that its causative gene TML functions as a receptor of the shoot-derived signal. This finding prompted us to ask how the candidates of the long-distance signal molecules, LjCLE-RS1/2 and jasmonic acid (JA), are affected in tml mutants. Expression analysis revealed that rapid induction of LjCLE-RS1/2 upon rhizobial inoculation is still intact in tml, supporting that TML plays a role in reception of the shoot-derived signal but not in generation of the root-derived signal. Furthermore, physiological analysis showed that JA, a candidate of the shoot-derived signal, can suppress tml hypernodulation. Therefore, contrary to the previous report, JA might not be a component of AON signaling.

Surface free energy and some other properties of a crystal-vapor interface: Molecular dynamics simulation of a Lennard-Jones system

NASA Astrophysics Data System (ADS)

Baidakov, V. G.; Tipeev, A. O.; Protsenko, K. R.

2017-07-01

The surface tension γ and surface energy u bar have been calculated in molecular dynamics simulation of an FCC crystal-vapor equilibrium in systems containing from 54000 to 108000 Lennard-Jones (LJ) particles with a cutoff radius of the potential rc = 6.78 d . The surface entropy s bar and the surface free energy σ along the sublimation line have been determined by the method of thermodynamic integration from the zero of temperature, where the classical entropy has been obtained from the dynamical theory of crystal lattice by data on γ (T) and u bar (T) . Calculations were made on the planes (1 0 0), (1 1 0) and (1 1 1) of an LJ crystal. The anisotropy of surface properties is considerable at low temperatures and smooths over at the approach of the triple point. At a temperature 1/3 lower than the melting temperature of the bulk phase changes are observed in the character of temperature dependences of the properties of a crystal-vapor interface, which are connected with surface premelting. The temperature of the beginning of surface premelting correlates with that at which the metastable extension of the melting line meets the spinodal of a stretched liquid.

How we determined the most reliable solid medium for studying treatment of tuberculosis

PubMed Central

Heilig, Charles M.; Feng, Pei-Jean I.; Joloba, Moses L.; Johnson, John L.; Morgan, Karen; Gitta, Phineas; Boom, W. Henry; Mayanja-Kizza, Harriet; Eisenach, Kathleen D.; Bozeman, Lorna; Goldberg, Stefan V.

2014-01-01

Phase 2 clinical trials for tuberculosis (TB) treatment require reliable culture methods to determine presence or absence of Mycobacterium tuberculosis (Mtb) over the course of therapy, as these trials are based primarily on bacteriological endpoints. We evaluate which of 5 solid media is most reliable: Lowenstein-Jensen (LJ) egg-based medium and 4 Middlebrook agar media (nonselective 7H10 and 7H11 and selective 7H10 and 7H11). We analyze 393 specimens from 50 HIV-negative Ugandan adults with newly-diagnosed, pulmonary TB and high acid-fast bacillus smear grade. Specimens were collected every 2–4 weeks during the first 12 weeks of therapy. We compare the results for each culture to 2 composite reference standards—one that was deemed positive if any solid culture was positive for Mtb and another based on latent class analysis. Both reference standards established that the 2 selective Middlebrook media most reliably determine the presence or absence of Mtb (P<0.003), largely because of their lower contamination rates. We also showed that results on Middlebrook media were similar to each other, while LJ was most frequently discordant. Contaminated results appeared more likely to be truly negative than to harbor undetected Mtb. PMID:24661816

How we determined the most reliable solid medium for studying treatment of tuberculosis.

PubMed

Heilig, Charles M; Feng, Pei-Jean I; Joloba, Moses L; Johnson, John L; Morgan, Karen; Gitta, Phineas; Boom, W Henry; Mayanja-Kizza, Harriet; Eisenach, Kathleen D; Bozeman, Lorna; Goldberg, Stefan V

2014-05-01

Phase 2 clinical trials for tuberculosis (TB) treatment require reliable culture methods to determine presence or absence of Mycobacterium tuberculosis (Mtb) over the course of therapy, as these trials are based primarily on bacteriological endpoints. We evaluate which of 5 solid media is most reliable: Lowenstein-Jensen (LJ) egg-base medium and 4 Middlebrook agar media (nonselective 7H10 and 7H11 and selective 7H10 and 7H11). We analyze 393 specimens from 50 HIV-negative Ugandan adults with newly-diagnosed, pulmonary TB and high acid-fast bacillus smear grade. Specimens were collected every 2-4 weeks during the first 12 weeks of therapy. We compare the results for each culture to 2 composite reference standards--one that was deemed positive if any solid culture was positive for Mtb and another based on latent-class analysis. Both reference standards established that the 2 selective Middlebrook media most reliably determine the presence or absence of Mtb (P < 0.003), largely because of their lower contamination rates. We also showed that results on Middlebrook media were similar to each other, while LJ was most frequently discordant. Contaminated results appeared more likely to be truly negative than to harbor undetected Mtb. Published by Elsevier Ltd.

Two dimensional imaging of the virtual source of a supersonic beam: helium at 125 K.

PubMed

Eder, S D; Bracco, G; Kaltenbacher, T; Holst, B

2014-01-09

Here we present the first two-dimensional images of the virtual source of a supersonic helium expansion. The images were obtained using a free-standing Fresnel zone plate with an outermost zone width of 50 nm as imaging lens and a beam cooled to around 125 K. The nozzle diameter was 10 μm. The virtual source diameter was found to increase with stagnation pressure from 140 ± 30 μm at po = 21 bar up to 270 ± 25 μm at po = 101 bar. The experimental results are compared to a theoretical model based on the solution of the Boltzmann equation by the method of moments. The quantum mechanical cross sections used in the model have been calculated for the Lennard-Jones (LJ) and the Hurly-Moldover (HM) potentials. By using a scaling of the perpendicular temperature that parametrizes the perpendicular velocity distribution based on a continuum expansion approach, the LJ potential shows a good overall agreement with the experiment. However, at higher pressures the data points lie in between the two theoretical curves and the slope of the trend is more similar to the HM curve. Real gas corrections to enthalpy are considered but they affect the results less than the experimental errors.

Interlayer interaction and mechanical properties in multi-layer graphene, Boron-Nitride, Aluminum-Nitride and Gallium-Nitride graphene-like structure: A quantum-mechanical DFT study

NASA Astrophysics Data System (ADS)

Ghorbanzadeh Ahangari, Morteza; Fereidoon, A.; Hamed Mashhadzadeh, Amin

2017-12-01

In present study, we investigated mechanical, electronic and interlayer properties of mono, bi and 3layer of Boron-Nitride (B-N), Aluminum-Nitride (Al-N) and Gallium-Nitride (Ga-N) graphene sheets and compared these results with results obtained from carbonic graphenes (C-graphenes). For reaching this purpose, first we optimized the geometrical parameters of these graphenes by using density functional theory (DFT) method. Then we calculated Young's modulus of graphene sheet by compressing and then elongating these sheets in small increment. Our results indicates that Young's modulus of graphenes didn't changed obviously by increasing the number of layer sheet. We also found that carbonic graphene has greatest Young's modulus among another mentioned sheets because of smallest equilibrium distance between its elements. Next we modeled the van der Waals interfacial interaction exist between two sheets with classical spring model by using general form of Lennard-Jones (L-J) potential for all of mentioned graphenes. For calculating L-J parameters (ε and σ), the potential energy between layers of mentioned graphene as a function of the separation distance was plotted. Moreover, the density of states (DOS) are calculated to understand the electronic properties of these systems better.

An analytical equation of state for describing isotropic-nematic phase equilibria of Lennard-Jones chain fluids with variable degree of molecular flexibility

NASA Astrophysics Data System (ADS)

van Westen, Thijs; Oyarzún, Bernardo; Vlugt, Thijs J. H.; Gross, Joachim

2015-06-01

We develop an equation of state (EoS) for describing isotropic-nematic (IN) phase equilibria of Lennard-Jones (LJ) chain fluids. The EoS is developed by applying a second order Barker-Henderson perturbation theory to a reference fluid of hard chain molecules. The chain molecules consist of tangentially bonded spherical segments and are allowed to be fully flexible, partially flexible (rod-coil), or rigid linear. The hard-chain reference contribution to the EoS is obtained from a Vega-Lago rescaled Onsager theory. For the description of the (attractive) dispersion interactions between molecules, we adopt a segment-segment approach. We show that the perturbation contribution for describing these interactions can be divided into an "isotropic" part, which depends only implicitly on orientational ordering of molecules (through density), and an "anisotropic" part, for which an explicit dependence on orientational ordering is included (through an expansion in the nematic order parameter). The perturbation theory is used to study the effect of chain length, molecular flexibility, and attractive interactions on IN phase equilibria of pure LJ chain fluids. Theoretical results for the IN phase equilibrium of rigid linear LJ 10-mers are compared to results obtained from Monte Carlo simulations in the isobaric-isothermal (NPT) ensemble, and an expanded formulation of the Gibbs-ensemble. Our results show that the anisotropic contribution to the dispersion attractions is irrelevant for LJ chain fluids. Using the isotropic (density-dependent) contribution only (i.e., using a zeroth order expansion of the attractive Helmholtz energy contribution in the nematic order parameter), excellent agreement between theory and simulations is observed. These results suggest that an EoS contribution for describing the attractive part of the dispersion interactions in real LCs can be obtained from conventional theoretical approaches designed for isotropic fluids, such as a Perturbed-Chain Statistical Associating Fluid Theory approach.

A reassessment of substrate specificity and activation of phytochelatin synthases from model plants by physiologically relevant metals.

PubMed

Loscos, Jorge; Naya, Loreto; Ramos, Javier; Clemente, Maria R; Matamoros, Manuel A; Becana, Manuel

2006-04-01

Phytochelatin synthases (PCS) catalyze phytochelatin (PC) synthesis from glutathione (GSH) in the presence of certain metals. The resulting PC-metal complexes are transported into the vacuole, avoiding toxic effects on metabolism. Legumes have the unique capacity to partially or completely replace GSH by homoglutathione (hGSH) and PCs by homophytochelatins (hPCs). However, the synthesis of hPCs has received little attention. A search for PCS genes in the model legume Lotus (Lotus japonicus) resulted in the isolation of a cDNA clone encoding a protein (LjPCS1) highly homologous to a previously reported homophytochelatin synthase (hPCS) of Glycine max (GmhPCS1). Recombinant LjPCS1 and Arabidopsis (Arabidopsis thaliana) PCS1 (AtPCS1) were affinity purified and their polyhistidine-tags removed. AtPCS1 catalyzed hPC synthesis from hGSH alone at even higher rates than did LjPCS1, indicating that GmhPCS1 is not a genuine hPCS and that a low ratio of hPC to PC synthesis is an inherent feature of PCS1 enzymes. For both enzymes, hGSH is a good acceptor, but a poor donor, of gamma-glutamylcysteine units. Purified AtPCS1 and LjPCS1 were activated (in decreasing order) by Cd2+, Zn2+, Cu2+, and Fe3+, but not by Co2+ or Ni2+, in the presence of 5 mm GSH and 50 microm metal ions. Activation of both enzymes by Fe3+ was proven by the complete inhibition of PC synthesis by the iron-specific chelator desferrioxamine. Plants of Arabidopsis and Lotus accumulated (h)PCs only in response to a large excess of Cu2+ and Zn2+, but to a much lower extent than did with Cd2+, indicating that (h)PC synthesis does not significantly contribute in vivo to copper, zinc, and iron detoxification.

Diverticulitis

MedlinePlus

Bhuket TP, Stollman NH. Diverticular disease of the colon. In: Feldman M, Friedman LS, Brandt LJ, eds. Sleisenger and Fordtran's Gastrointestinal and Liver Disease . 10th ed. Philadelphia, PA: Elsevier ...

Diverticulosis

MedlinePlus

Bhuket TP, Stollman NH. Diverticular disease of the colon. In: Feldman M, Friedman LS, Brandt LJ, eds. Sleisenger and Fordtran's Gastrointestinal and Liver Disease . 10th ed. Philadelphia, PA: Elsevier ...

Metallographic Methods. Polishing Procedure for Metallographic Examination of Cemented Carbides

DTIC Science & Technology

1949-01-31

were flnatlv oolished oj) i ool1 sh- in’? fllak covered with the finpst erote of brondrloth, Wühler "Spl^rt" 156!! ».T<,, or Fisher ’"Xivl...not-sslxim fprrlcv nidr. In thp ohotomicrogr"ohs, Fi-ra. 3, 6, 9, 12, 15, 18 , 21 "nd.2lj, " tvpic"! tunestpn crbide ^r".in is lndic"tpd...b Pig. 18 . Btehed. X1500. Fairly larg« tun««ten oarblda (1), Solid solution phass (2), cobalt binder (whita). Etchant-Hot alkaline

Belching

MedlinePlus

... by the unconscious swallowing of air (aerophagia) Acid reflux disease (GERD) and heartburn ... 2016:chap 132. Richter JE, Friedenberg FK. Gastroesophageal reflux disease. In: Feldman M, Friedman LS, Brandt LJ, eds. ...

Status Report of Environmental Evaluations Trinity River Project Texas. Appendix B. Biological Inventory with Effect Evaluation

DTIC Science & Technology

1975-06-01

wet depressions and sloughs present on the floodplain; heavy black clay soil ; no Spanish moss. Transect No. 4 Location: Henderson County, Bruce Smith...cattle except when too wet; sticky black clay soil ; the transect parallels the river for most of its length, touching the bank at one point. Transect No. 5...4 414 4 4-4. ’ 41-M na USC CA’ 0 nS : N41~ rmO O n4o 1 0’O 1* CC M 0 0a V)S Lj LA LJ USL . a) W WUS >5 0 C) i C n -0- ’D ’A a) __ fig- C tn ’a 0 O

Evaluation of BacT/Alert 3D Liquid Culture System for Recovery of Mycobacteria from Clinical Specimens Using Sodium Dodecyl (Lauryl) Sulfate-NaOH Decontamination

PubMed Central

Carricajo, A.; Fonsale, N.; Vautrin, A. C.; Aubert, G.

2001-01-01

A total of 52 mycobacterial isolates were recovered from 1,197 clinical specimens decontaminated by a sodium dodecyl (lauryl) sulfate (SDS)-NaOH protocol. Of these, 94% were recovered with the BacT/Alert 3D system (Organon Teknika, Durham, N.C.) and 79% were recovered on Löwenstein-Jensen (LJ) medium. Mean times to detection of organisms of the Mycobacterium tuberculosis complex (n = 47) were 22.8 days with LJ medium and 16.2 days with the system. The BacT/Alert 3D system is a rapid and efficient detection system which can be used with an SDS-NaOH decontamination procedure. PMID:11574623

Design of a Modular Test Loop for Study of Two-Phase Flow and Heat Transfer in Low and High Accelerations

DTIC Science & Technology

1990-07-01

probably cannot afford to have such a large pressure drop (orifice or throttling valve ) in the loop to stabilize the flow. For a given flow rate, the...rate was set by a calibrated valve and the water flow rate was set by the pump speed. The loop was not equipped with flowmeters and it was assumed that...Configuration. 3-28 jCk z < [D - a~ - Z Li-c I Li CL- a ow L~j Z 4) ,,l C0 0 Q.(-C - CL Li Ln LJ r o~C:) Z CC Ck LLj ZJ LOL Li Ln ( 3-2 ~ Tf1 FFFFF ~< L~iK

Case Study, California Black Rail (Laterallus jamaicensis corturniculus): Science Foundation Chapter 5, Appendix 5.1 in The Baylands and climate change: What can we do?

USGS Publications Warehouse

Evens, Jules G.; Thorne, Karen M.

2015-01-01

The Black Rail is the smallest member of the avian family Rallidae and has a wide-ranging but highly scattered distribution throughout the New World. Of five subspecies, two occur in North America—the Eastern Black Rail (L.j. jamaicensis) and the California Black Rail (L.j. coturniculus). Throughout its range, the Black Rail is a secretive inhabitant of tidal and freshwater wetlands and rarely ventures out from the cover of dense marsh vegetation. It is more likely to be heard than seen; spontaneous vocalizations tend to be concentrated in the nesting season and are much less common during the rest of the year.

An Investigation of a Design for a Finite-Difference Time Domain (FDTD) Hardware Accelerator

DTIC Science & Technology

1991-12-01

D PTR), accumulators A and B ( ACCA & ACCB), and the third fixed incrementer (IN3). The stack file in the floating-point unit is untouched. The first...of data. REGISTERS: R1, R2, R4, R5, R7, R8, R9, R11, R12, R13, ACCA , ACCB, MBR. MAR, STAT POINTERS: APT, BPT, CPT, DPT, AIN, BIN, CIN, DIN, IN3 LINES...BBUS MARh-2 READ BACTL, 12 R2 =En(lj) R2=D MAR+2 READ BAACT; 13 MBR = En+I(1j) ACCA = En(0,j-1) + En(lj-1) BU=R2 BL=R2 CD C=R1 MBR=D FP++ a=CBUS b=BBUS

Evaporation of liquid droplets of nano- and micro-meter size as a function of molecular mass and intermolecular interactions: experiments and molecular dynamics simulations.

PubMed

Hołyst, Robert; Litniewski, Marek; Jakubczyk, Daniel

2017-09-13

Transport of heat to the surface of a liquid is a limiting step in the evaporation of liquids into an inert gas. Molecular dynamics (MD) simulations of a two component Lennard-Jones (LJ) fluid revealed two modes of energy transport from a vapour to an interface of an evaporating droplet of liquid. Heat is transported according to the equation of temperature diffusion, far from the droplet of radius R. The heat flux, in this region, is proportional to temperature gradient and heat conductivity in the vapour. However at some distance from the interface, Aλ, (where λ is the mean free path in the gas), the temperature has a discontinuity and heat is transported ballistically i.e. by direct individual collisions of gas molecules with the interface. This ballistic transport reduces the heat flux (and consequently the mass flux) by the factor R/(R + Aλ) in comparison to the flux obtained from temperature diffusion. Thus it slows down the evaporation of droplets of sizes R ∼ Aλ and smaller (practically for sizes from 10 3 nm down to 1 nm). We analyzed parameter A as a function of interactions between molecules and their masses. The rescaled parameter, A(k B T b /ε 11 ) 1/2 , is a linear function of the ratio of the molecular mass of the liquid molecules to the molecular mass of the gas molecules, m 1 /m 2 (for a series of chemically similar compounds). Here ε 11 is the interaction parameter between molecules in the liquid (proportional to the enthalpy of evaporation) and T b is the temperature of the gas in the bulk. We tested the predictions of MD simulations in experiments performed on droplets of ethylene glycol, diethylene glycol, triethylene glycol and tetraethylene glycol. They were suspended in an electrodynamic trap and evaporated into dry nitrogen gas. A changes from ∼1 (for ethylene glycol) to approximately 10 (for tetraethylene glycol) and has the same dependence on molecular parameters as obtained for the LJ fluid in MD simulations. The value of x = A(k B T b /ε 11 ) 1/2 is of the order of 1 (for water x = 1.8, glycerol x = 1, ethylene glycol x = 0.4, tetraethylene glycol x = 2.1 evaporating into dry nitrogen at room temperature and for Lennard-Jones fluids x = 2 for m 1 /m 2 = 1 and low temperature).

Tracheoesophageal fistula and esophageal atresia repair

MedlinePlus

Madanick R, Orlando RC. Anatomy, histology, embryology, and developmental anomalies of the esophagus. In: Feldman M, Friedman LS, Brandt LJ, eds. Sleisenger and Fordtran's Gastrointestinal and Liver ...

Diverticulitis and diverticulosis - discharge

MedlinePlus

Bhuket TP, Stollman NH. Diverticular disease of the colon. In: Feldman M, Friedman LS, Brandt LJ, eds. Sleisenger and Fordtran's Gastrointestinal and Liver Disease . 10th ed. Philadelphia, PA: Elsevier ...

Influence of chamber type integrated with computer-assisted semen analysis (CASA) system on the results of boar semen evaluation.

PubMed

Gączarzewicz, D

2015-01-01

The objective of the study was to evaluate the effect of different types of chambers used in computer-assisted semen analysis (CASA) on boar sperm concentration and motility parameters. CASA measurements were performed on 45 ejaculates by comparing three commonly used chambers: Leja chamber (LJ), Makler chamber (MK) and microscopic slide-coverslip (SL). Concentration results obtained with CASA were verified by manual counting on a Bürker hemocytometer (BH). No significant differences were found between the concentrations determined with BH vs. LJ and SL, whereas higher (p<0.01) values of this parameter were obtained with MK. Compared to MK and SL, significantly higher values were recorded in LJ for velocity (VCL and VAP) as well as amplitude of the lateral head displacement (ALH) and beat cross frequency (BCF), which was associated with significantly higher percentages of motile, progressively motile and rapidly progressive motile spermatozoa. Higher values for the linearity (LIN) and straightness (STR) of sperm movement were obtained for the analysis performed in MK and SL. In both these chambers, the results of all the linearity and kinetic parameters of sperm were similar (p>0.05). The results obtained show that CASA assessment of boar semen should account for the effect of counting chamber on the results of sperm motility and concentration, which confirms the need for further study on standardizing the automatic analysis of boar semen.

Femoral hernia repair

MedlinePlus

Dunbar KB, Jeyarajah DR. Abdominal hernias and gastric volvulus. In: Feldman M, Friedman LS, Brandt LJ, eds. Sleisenger and Fordtran's Gastrointestinal and Liver Disease . 10th ed. Philadelphia, PA: Elsevier Saunders; 2016:chap ...

Diverticulitis - what to ask your doctor

MedlinePlus

Bhuket TP, Stollman NH. Diverticular disease of the colon. In: Feldman M, Friedman LS, Brandt LJ, eds. Sleisenger & Fordtran's Gastrointestinal and Liver Disease . 10th ed. Philadelphia, PA: Elsevier Saunders; ...

The Frequency Response and Operating Characteristics of the XR-3 Loads and Motions Program

DTIC Science & Technology

1976-06-01

TD -t- M - \\ \\ t:5Tt \\ ’X ^pl 1 \\ \\\\ 1 1 1 r ^ ’ 1 ^ ;f<i^^ ’ 1:^’ ’ 1 ’ 1 \\ J ) i ! r ;i 1 MM III I’MrMr^m 1 1 ’ 1 111’ 1 : ; 11 I ! i ; ! i...Operating Characteristics V=30 kts, A=0.3 ft, Ahead Seas 92 + 1 i h +- .... ^ _|_ „ . . , 1 , . . . , .,_ . , 1 J _lJ 1 i I .. ._ ., . td ii ! ! 1 1 1 T 1...rrPP I 1 1 i-j-K -w III -r-f-j-^- 1 1 i 1 --i*i- -r-HJ-U+f u**—^—^ .^ -« td ^:ii:=niri;: -^ H-r— -j-O* *- " LjS : ; 1 h i ! ’ 1 ’ i 1 ^ AJ —

Automatic Detection and Recognition of the First Arrival Phase of Seismic Event Signals Contaminated by Noise. The Curious Case of the Missing Explosion

DTIC Science & Technology

1987-06-29

LIJ LJ LJ x j 0 3 % 311’ ~% S ~ *5* -... . *~: ~ ’~ % V~%..\\- V CN 0 Q t.4 0 0Ct) r" : 4 It (n- --n M~ 0g0 i t0>-100 k C -0 -W U -1 14 s -3 Z ID v to...studied; i.e., teleseismic events with a high signal to noise ( S /N) ratio. I. making it difficult to determine the correct spectral bandwidth for the...1 = NUMBE8R OF OBSERVATION4SINIl EeD C SEGII,41 z REOUJ-t OIFFMNCE SETWE~ s C 11ADI SEGME~NT AMILfl’VES C C SEG( It .51 PAWLJTE DIFFERENCE BErflI C 1-1

A comparison of liquid and solid culture for determining relapse and durable cure in phase III TB trials for new regimens.

PubMed

Phillips, Patrick P J; Mendel, Carl M; Nunn, Andrew J; McHugh, Timothy D; Crook, Angela M; Hunt, Robert; Bateson, Anna; Gillespie, Stephen H

2017-11-24

Tuberculosis kills more people than any other infectious disease, and new regimens are essential. The primary endpoint for confirmatory phase III trials for new regimens is a composite outcome that includes bacteriological treatment failure and relapse. Culture methodology is critical to the primary trial outcome. Patients in clinical trials can have positive cultures after treatment ends that may not necessarily indicate relapse, which was ascribed previously to laboratory cross-contamination or breakdown of old lesions. Löwenstein-Jensen (LJ) medium was the previous standard in clinical trials, but almost all current and future trials will use the Mycobacteria Growth Indicator Tube (MGIT) system due to its simplicity and consistency of use, which will affect phase III trial results. LJ was used for the definition of the primary endpoint in the REMoxTB trial, but every culture was also inoculated in parallel into the MGIT system. The data from this trial, therefore, provide a unique opportunity to investigate and compare the incidence of false 'isolated positives' in liquid and solid media and their potential impact on the primary efficacy results. All post-treatment positive cultures were reviewed in the REMoxTB clinical trial. Logistic regression models were used to model the incidence of isolated positive cultures on MGIT and LJ. A total of 12,209 sputum samples were available from 1652 patients; cultures were more often positive on MGIT than LJ. In 1322 patients with a favourable trial outcome, 126 (9.5%) had cultures that were positive in MGIT compared to 34 (2.6%) patients with positive cultures on LJ. Among patients with a favourable outcome, the incidence of isolated positives on MGIT differed by study laboratory (p < 0.0001) with 21.9% of these coming from one laboratory investigating only 4.9% of patients. No other baseline factors predicted isolated positives on MGIT after adjusting for laboratory. There was evidence of clustering of isolated positive cultures in some patients even after adjusting for laboratory, p < 0.0001. The incidence of isolated positives on MGIT did not differ by treatment arm (p = 0.845, unadjusted). Compared to negative MGIT cultures, positive MGIT cultures were more likely to be associated with higher grade TB symptoms reported within 7 days either side of sputum collection in patients with an unfavourable primary outcome (p < 0.0001) but not in patients with a favourable outcome (p = 0.481). Laboratory cross-contamination was a likely cause of isolated positive MGIT cultures which were clustered in some laboratories. Certain patients had repeated positive MGIT cultures that did not meet the definition of a relapse. This pattern was too common to be explained by cross-contamination only, suggesting that host factors were also responsible. We conclude that MGIT can replace LJ in phase III TB trials, but there are implications for the definition of the primary outcome and patient management in trials in such settings. Most importantly, the methodologies differ in the incidence of isolated positives and in their capacity for capturing non-tuberculosis mycobacteria. It emphasises the importance of effective medical monitoring after treatment ends and consideration of clinical signs and symptoms for determining treatment failure and relapse.

What Is a Simple Liquid?

NASA Astrophysics Data System (ADS)

Ingebrigtsen, Trond S.; Schrøder, Thomas B.; Dyre, Jeppe C.

2012-01-01

This paper is an attempt to identify the real essence of simplicity of liquids in John Locke’s understanding of the term. Simple liquids are traditionally defined as many-body systems of classical particles interacting via radially symmetric pair potentials. We suggest that a simple liquid should be defined instead by the property of having strong correlations between virial and potential-energy equilibrium fluctuations in the NVT ensemble. There is considerable overlap between the two definitions, but also some notable differences. For instance, in the new definition simplicity is not a direct property of the intermolecular potential because a liquid is usually only strongly correlating in part of its phase diagram. Moreover, not all simple liquids are atomic (i.e., with radially symmetric pair potentials) and not all atomic liquids are simple. The main part of the paper motivates the new definition of liquid simplicity by presenting evidence that a liquid is strongly correlating if and only if its intermolecular interactions may be ignored beyond the first coordination shell (FCS). This is demonstrated by NVT simulations of the structure and dynamics of several atomic and three molecular model liquids with a shifted-forces cutoff placed at the first minimum of the radial distribution function. The liquids studied are inverse power-law systems (r-n pair potentials with n=18,6,4), Lennard-Jones (LJ) models (the standard LJ model, two generalized Kob-Andersen binary LJ mixtures, and the Wahnstrom binary LJ mixture), the Buckingham model, the Dzugutov model, the LJ Gaussian model, the Gaussian core model, the Hansen-McDonald molten salt model, the Lewis-Wahnstrom ortho-terphenyl model, the asymmetric dumbbell model, and the single-point charge water model. The final part of the paper summarizes properties of strongly correlating liquids, emphasizing that these are simpler than liquids in general. Simple liquids, as defined here, may be characterized in three quite different ways: (1) chemically by the fact that the liquid’s properties are fully determined by interactions from the molecules within the FCS, (2) physically by the fact that there are isomorphs in the phase diagram, i.e., curves along which several properties like excess entropy, structure, and dynamics, are invariant in reduced units, and (3) mathematically by the fact that throughout the phase diagram the reduced-coordinate constant-potential-energy hypersurfaces define a one-parameter family of compact Riemannian manifolds. No proof is given that the chemical characterization follows from the strong correlation property, but we show that this FCS characterization is consistent with the existence of isomorphs in strongly correlating liquids’ phase diagram. Finally, we note that the FCS characterization of simple liquids calls into question the physical basis of standard perturbation theory, according to which the repulsive and attractive forces play fundamentally different roles for the physics of liquids.

Laryngoscopy

MedlinePlus

... Otolaryngology: Head & Neck Surgery . 6th ed. Philadelphia, PA: Elsevier Saunders; 2015:chap 106. Hoffman HT, Gailey MPO, ... Otolaryngology: Head & Neck Surgery . 6th ed. Philadelphia, PA: Elsevier Saunders; 2015:chap 107. Mark LJ, Hillel AT, ...

Hyperthyroidism

MedlinePlus

... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 12. ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Osteomalacia

MedlinePlus

... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 28. ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Goiter - simple

MedlinePlus

... In: Jameson JL, De Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier Saunders; 2016:chap 90. Kim M, Ladenson PW. Thyroid. In: Goldman L, Schafer ...

The value of microscopic-observation drug susceptibility assay in the diagnosis of tuberculosis and detection of multidrug resistance.

PubMed

Sertel Şelale, Denİz; Uzun, Meltem

2018-01-01

Inexpensive, rapid, and reliable tests for detecting the presence and drug susceptibility of Mycobacterium tuberculosis complex (MTBC) are urgently needed to control the transmission of tuberculosis. In this study, we aimed to assess the accuracy and speed of the microscopic-observation drug susceptibility (MODS) assay in the identification of MTBC and detection of multidrug resistance. Sputum samples from patients suspected to have tuberculosis were simultaneously tested with MODS and conventional culture [Löwenstein-Jensen (LJ) culture, BACTEC MGIT™ 960 (MGIT) system], and drug susceptibility testing (MGIT system) methods. A total of 331 sputum samples were analyzed. Sensitivity and specificity of MODS assay for detection of MTBC strains were 96% and 98.8%, respectively. MODS assay detected multidrug resistant MTBC isolates with 92.3% sensitivity and 96.6% specificity. Median time to culture positivity was similar for MGIT (8 days) and MODS culture (8 days), but was significantly longer with LJ culture (20 days) (p < 0.0001 for both comparisons). Median time to availability of the susceptibility results was significantly (p < 0.0001) shorter with MODS assay (8 days) than MGIT system (20 days). In conclusion, MODS is an inexpensive and rapid test with good performance characteristics for direct diagnosis of tuberculosis and detection of multidrug resistance. © 2017 APMIS. Published by John Wiley & Sons Ltd.

Transactions of the Conference of Army Mathematicians (23rd), held at U. S. Army Mobility Research and Development Laboratory, Langley Research Center, Hampton, Virginia, 11-13 May 1977

DTIC Science & Technology

1978-02-01

Trans. ASME, Vol. 81, 1959, pp. 259- 264 . 112 0 C> 0 LJj 0 CD 0 D ~) . [") r "-’ . 1’ n -- 1 . 2 0 1 . lj 0 1. :iO 1 • 13 0 ? . (JO p;a...n ntout Compute determinant elements forb n, Comoute and write backsc~tter cross-section\\ (Figure 2.2-1) 264 J. BACKSCATTER CROSS-SECTION FOR A...Overrelaxation Iteration Methods," Report WAPD -TM-1038, Bettis Atomic Power Laboratory, Westinghouse Electric Corp., Pittsburgh, Pennsylvania. 10

Interaction Potentials for Br(2P) + Ar, Kr, Xe (1S) by the Crossed Molecular Beams Method.

DTIC Science & Technology

1981-03-01

recombination was significantly affected by eBr-RG" In their study, the interaction potential between Br and RG was assumed to be of the Lennard ... Jones (L-J) form with the following parameters: RG=Ar, c=1.0 kcal/mole, a=3.0 A; RG=Xe, e-1.0 kcal/mole, a=3.5 A. A slightly shallower Br-Ar potential ...AOA-A00 002 CALIFORNIA UNIV BERKELEY LAWRENCE BERKELEY LAB F/6 20/7 INTERACTION POTENTIALS FOR BR2P) + AR. KR. XE (IS) BY THE CROS--ETCfIU MAR 81 P

Comparison of iterative inverse coarse-graining methods

NASA Astrophysics Data System (ADS)

Rosenberger, David; Hanke, Martin; van der Vegt, Nico F. A.

2016-10-01

Deriving potentials for coarse-grained Molecular Dynamics (MD) simulations is frequently done by solving an inverse problem. Methods like Iterative Boltzmann Inversion (IBI) or Inverse Monte Carlo (IMC) have been widely used to solve this problem. The solution obtained by application of these methods guarantees a match in the radial distribution function (RDF) between the underlying fine-grained system and the derived coarse-grained system. However, these methods often fail in reproducing thermodynamic properties. To overcome this deficiency, additional thermodynamic constraints such as pressure or Kirkwood-Buff integrals (KBI) may be added to these methods. In this communication we test the ability of these methods to converge to a known solution of the inverse problem. With this goal in mind we have studied a binary mixture of two simple Lennard-Jones (LJ) fluids, in which no actual coarse-graining is performed. We further discuss whether full convergence is actually needed to achieve thermodynamic representability.

News of the Year.

ERIC Educational Resources Information Center

St. Lifer, Evan; Olson, Renee; Margolis, Rick; Glick, Andrea; Milliot, Jim

1999-01-01

Includes the following reports: "'LJ' (Library Journal) News Report: Libraries Success at Funding Books and Bytes"; "'SLJ' (School Library Journal) News Report: We're in the Money!"; and "'PW' (Publishers Weekly) News Reports". (AEF)

Thyroid ultrasound

MedlinePlus

... imaging. In: Jameson JL, De Groot LJ, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 11. ...

Vomiting blood

MedlinePlus

... in the vomit References Goralnick E, Meguerdichian DA. Gastrointestinal bleeding. In: Marx JA, Hockberger RS, Walls RM, et ... Saunders; 2016:chap 135. Savides TJ, Jensen DM. Gastrointestinal bleeding. In: Feldman M, Friedman LS, Brandt LJ, eds. ...

Osteitis fibrosa

MedlinePlus

... LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier Saunders; 2016:chap 63. Thakker RV. The parathyroid glands, hypercalcemia and hypocalcemia. In: Goldman L, Schafer AI, eds. Goldman's Cecil ...

Hyperkalemic periodic paralysis

MedlinePlus

... Neurology in Clinical Practice . 7th ed. Philadelphia, PA: Elsevier; 2016:chap 110. Kerchner GA, Ptacek LJ. Channelopathies: ... Neurology in Clinical Practice . 7th ed. Philadelphia, PA: Elsevier; 2016:chap 99. Moxley RT, Heatwole C. Channelopathies: ...

Type 1 diabetes

MedlinePlus

... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 32. ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Calcitonin blood test

MedlinePlus

... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 28. ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Type 2 diabetes

MedlinePlus

... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric. 7th ed. Philadelphia, PA: Elsevier ... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 31. ...

Radioactive iodine uptake

MedlinePlus

... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 11. ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

T4 test

MedlinePlus

... Larsen PR, et al, eds. Williams Textbook of Endocrinology . 12th ed. Philadelphia, PA: Elsevier Saunders; 2011:chap ... testing. In: Jameson JL, De Groot LJ, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Managing menopause at home

MedlinePlus

... RA. Menopause and care of the mature woman: endocrinology, consequences of estrogen deficiency, effects of hormone therapy, ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Antithyroid microsomal antibody

MedlinePlus

... Larsen PR, et al, eds. Williams Textbook of Endocrinology . 12th ed. Philadelphia, PA: Elsevier; 2016:chap 11. ... testing. In: Jameson JL, De Groot LJ, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

TBG - blood test

MedlinePlus

... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 11. ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

T3 test

MedlinePlus

... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 11. ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Intrauterine devices (IUD)

MedlinePlus

... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ... Strauss JF, Barbieri RL, eds. Yen & Jaffe's Reproductive Endocrinology . 7th ed. Philadelphia, PA: Elsevier Saunders; 2014:chap ...

Gastrostomy feeding tube - pump - child

MedlinePlus

... at home. In: O'Keefe SJD, ed. The Principles and Practice of Nutritional Support . New York, NY: Springer; 2015:chap 10. Schattner MA, Grossman EB. Nutritional management. In: Feldman M, Friedman LS, Brandt LJ, eds. ...

Deciding about an IUD

MedlinePlus

... Groot LJ, de Krester DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ... Strauss JF, Barbieri RL, eds. Yen & Jaffe's Reproductive Endocrinology . 7th ed. Philadelphia, PA: Elsevier Saunders; 2014:chap ...

Could you have low testosterone?

MedlinePlus

... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ... MD, Associate Professor of Medicine, Division of Metabolism, Endocrinology & Nutrition, University of Washington School of Medicine, Seattle, ...

T3RU test

MedlinePlus

... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 11. ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Type 2 diabetes - self-care

MedlinePlus

... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 33. ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

ACTH (cosyntropin) stimulation test

MedlinePlus

... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 15. ...

Women and sexual problems

MedlinePlus

... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 20. ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

What causes bone loss?

MedlinePlus

... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 29. ... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ...

Chronic thyroiditis (Hashimoto disease)

MedlinePlus

... Groot LJ, de Kretser DM, et al, eds. Endocrinology: Adult and Pediatric . 7th ed. Philadelphia, PA: Elsevier ... Larsen PR, Kronenberg HM, eds. Williams Textbook of Endocrinology . 13th ed. Philadelphia, PA: Elsevier; 2016:chap 13. ...

Crigler-Najjar syndrome

MedlinePlus

... Najjar); Arias syndrome (type II Crigler-Najjar) Images Liver anatomy References Lidofsky SD. Jaundice. In: Feldman M, Friedman LS, Brandt LJ, eds. Sleisenger and Fordtran's Gastrointestinal and Liver Disease . 10th ed. Philadelphia, PA: Elsevier Saunders; 2016: ...

Stools - floating

MedlinePlus

... diagnosis. Alternative Names Floating stools Images Lower digestive anatomy References Schiller LR, Sellin JH. Diarrhea. In: Feldman M, Friedman LS, Brandt LJ, eds. Sleisenger and Fordtran's Gastrointestinal and Liver Disease . 10th ed. Philadelphia, PA: Elsevier Saunders; 2016: ...

Genetics Home Reference: phosphoglycerate dehydrogenase deficiency

MedlinePlus

... on PubMed Tabatabaie L, Klomp LW, Berger R, de Koning TJ. L-serine synthesis in the central ... Gozalbo ME, Spaapen LJ, Haagen AA, Dorland L, de Koning TJ. Expanding the clinical spectrum of 3- ...

Molecular Dynamics Simulation of the Thermophysical Properties of Quantum Liquid Helium Using the Feynman-Hibbs Potential

NASA Astrophysics Data System (ADS)

Liu, J.; Lu, W. Q.

2010-03-01

This paper presents the detailed MD simulation on the properties including the thermal conductivities and viscosities of the quantum fluid helium at different state points. The molecular interactions are represented by the Lennard-Jones pair potentials supplemented by quantum corrections following the Feynman-Hibbs approach and the properties are calculated using the Green-Kubo equations. A comparison is made among the numerical results using LJ and QFH potentials and the existing database and shows that the LJ model is not quantitatively correct for the supercritical liquid helium, thereby the quantum effect must be taken into account when the quantum fluid helium is studied. The comparison of the thermal conductivity is also made as a function of temperatures and pressure and the results show quantum effect correction is an efficient tool to get the thermal conductivities.

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

Sehgal, Ray M.; Maroudas, Dimitrios, E-mail: maroudas@ecs.umass.edu, E-mail: ford@ecs.umass.edu; Ford, David M., E-mail: maroudas@ecs.umass.edu, E-mail: ford@ecs.umass.edu

We have developed a coarse-grained description of the phase behavior of the isolated 38-atom Lennard-Jones cluster (LJ{sub 38}). The model captures both the solid-solid polymorphic transitions at low temperatures and the complex cluster breakup and melting transitions at higher temperatures. For this coarse model development, we employ the manifold learning technique of diffusion mapping. The outcome of the diffusion mapping analysis over a broad temperature range indicates that two order parameters are sufficient to describe the cluster's phase behavior; we have chosen two such appropriate order parameters that are metrics of condensation and overall crystallinity. In this well-justified coarse-variable space,more » we calculate the cluster's free energy landscape (FEL) as a function of temperature, employing Monte Carlo umbrella sampling. These FELs are used to quantify the phase behavior and onsets of phase transitions of the LJ{sub 38} cluster.« less

Three-Dimensional Propagation and Scattering Around a Conical Seamount

DTIC Science & Technology

2007-06-01

s) Td . I or, 71 IT +~ f E [ai’D+l + 153j n 1JDJ+Iil (rj) r7 1 ql(Z)Xpij+l[, = ZL ,i2nH1., (,)+ 1, ,, )1 k --f , 1(z) Mll qjk)I,p4z)d1. (4.45) 102...F,t )-I (DH-ljC,,,+’. flj + Ihj ,Cb+’DfIIlj ) f + (Fj) -’ (DIlh,,C a+ lj 7’+1 -, !/,.-fI/’jiC+1lDjJ I) b-’,,+ REJ+ 1 anj+ 1 + Jl R3r, ’ 1,(4|.55...80 , li ,c൓ 400 400 ; :l 200 I/10 0 0 200 -400 -400 -00fO d00 50 50 (a) Td Los, dg) C-SNAP J 0 7 - os s (M), C-SNAP Jx 33 12012 600 110 600 110 400

Evaporation of Lennard-Jones fluids.

PubMed

Cheng, Shengfeng; Lechman, Jeremy B; Plimpton, Steven J; Grest, Gary S

2011-06-14

Evaporation and condensation at a liquid/vapor interface are ubiquitous interphase mass and energy transfer phenomena that are still not well understood. We have carried out large scale molecular dynamics simulations of Lennard-Jones (LJ) fluids composed of monomers, dimers, or trimers to investigate these processes with molecular detail. For LJ monomers in contact with a vacuum, the evaporation rate is found to be very high with significant evaporative cooling and an accompanying density gradient in the liquid domain near the liquid/vapor interface. Increasing the chain length to just dimers significantly reduces the evaporation rate. We confirm that mechanical equilibrium plays a key role in determining the evaporation rate and the density and temperature profiles across the liquid/vapor interface. The velocity distributions of evaporated molecules and the evaporation and condensation coefficients are measured and compared to the predictions of an existing model based on kinetic theory of gases. Our results indicate that for both monatomic and polyatomic molecules, the evaporation and condensation coefficients are equal when systems are not far from equilibrium and smaller than one, and decrease with increasing temperature. For the same reduced temperature T/T(c), where T(c) is the critical temperature, these two coefficients are higher for LJ dimers and trimers than for monomers, in contrast to the traditional viewpoint that they are close to unity for monatomic molecules and decrease for polyatomic molecules. Furthermore, data for the two coefficients collapse onto a master curve when plotted against a translational length ratio between the liquid and vapor phase.

Lactobacillus johnsonii glycolipids, their structure and immunoreactivity with sera from inflammatory bowel disease patients.

PubMed

Paściak, Mariola; Górska, Sabina; Jawiarczyk, Natalia; Gamian, Andrzej

2017-03-01

Structural studies of the major glycolipids produced by two Lactobacillus johnsonii (LJ) strains, LJ 151 isolated from intestinal tract of healthy mice and LJ 142 isolated from mice with experimentally induced inflammatory bowel disease (IBD), were performed. Two major glycolipids, GL1 and GL2, were present in lipid extracts from L. johnsonii 142 and 151 strains. Glycolipid GL1 has been identified as β-D-Glcp-(1→6)-α-D-Galp-(1→2)-α-D-Glcp-diglyceride and GL2 as α-D-Galp-(1→2)-α-D-Glcp-diglyceride. The main fatty acid residues identified by gas-liquid chromatography-mass spectrometry were palmitic, stearic and lactobacillic acids. Besides structural elucidation of the major glycolipids, the aim of this study was to determine the immunochemical properties of these glycolipids and to compare their immunoreactivity to that of polysaccharides obtained from the same strains. Sera from rabbits immunized with bacterial cells possessed much higher serological reactivity with polysaccharides than with glycolipids. Inversely, reactivity of the glycolipids with human sera from patients with IBD was much higher than that determined for the polysaccharides, while reactivity of glycolipids with human sera from healthy individuals was much lower than one measured for the polysaccharides. Results indicate that glycoconjugates from Lactobacillus cell wall act as antigens and may represent new IBD diagnostic biomarkers. © 2016 The Authors. Microbial Biotechnology published by John Wiley & Sons Ltd and Society for Applied Microbiology.

Immunocytochemical detection of Mycobacterium Tuberculosis complex specific antigen, MPT64, improves diagnosis of tuberculous lymphadenitis and tuberculous pleuritis.

PubMed

Tadele, Agerie; Beyene, Demissew; Hussein, Jemal; Gemechu, Tuffa; Birhanu, Asaye; Mustafa, Tehmina; Tsegaye, Aster; Aseffa, Abraham; Sviland, Lisbet

2014-11-25

A rapid, sensitive and accurate laboratory diagnosis is of prime importance in suspected extrapulmonary tuberculosis (EPTB) cases. However, traditional techniques for the detection of acid-fast bacilli have limitations. The aim of the study was to evaluate the diagnostic value of immunocytochemical staining for detection of Mycobacterium tuberculosis complex specific antigen, MPT64, in aspirates from pleural effusions and lymph nodes, the most common presentations of EPTB. A cross-sectional study was conducted by including patients at Tikur Anbessa Specialized Hospital and the United Vision Medical Services from December 2011 to June 2012. Lymph node aspirates and pleural fluid samples were collected and analyzed from a total of 51 cases (26 tuberculous (TB) pleuritis and 25 TB lymphadenitis) and 67 non-TB controls. Each specimen was subjected to Ziehl-Neelsen (ZN) staining, culture on Lowenstein- Jensen (LJ) medium, cytological examination, Polymerase Chain Reaction (PCR) using IS1081gene sequence as a primer and immunocytochemistry (ICC) with polyclonal anti-MPT64 antibody. All patients were screened for HIV. ICC was positive in 38 of 51 cases and in the 7 of 67 controls giving an overall sensitivity and specificity of 74.5% and 89.5%, respectively. Using IS1081-PCR as a reference method, the sensitivity and specificity, positive and negative predictive value of ICC was 88.1%, 89.5%, 82.2% and 93.2%, respectively. The case detection rate increased from 13.7% by ZN stain to 19.6% by LJ culture, to 66.7% by cytology and 74.5% by ICC. Immunocytochemistry with anti-MPT64 antigen improved detection of TB in pleural effusion and lymph node aspirates. Further studies using monoclonal antibodies on samples from other sites of EPTB is recommended to validate this relatively simple diagnostic method for EPTB.

Satyen K. Deb | NREL

Science.gov Websites

. Deb, P.R. Hageman, A.R. Bavhis, and L.J. Ailing (1996). "Interface-induced Conversion of Infrared . Lee, B.P. Nelson, A. Mascarenhas, and S.K. Deb (2000). "Light-Induced Long Range Hydrogen Motion

Updated Principle of Corresponding States

ERIC Educational Resources Information Center

Ben-Amotz, Dor; Gift, Alan D.; Levine, R. D.

2004-01-01

The rule of corresponding states, which shows the connection between the thermodynamic properties of various liquids is re-examined. The overall likeness is observed by using an updated scaling technique of Lennard-Jones corresponding states (LJ-CS).

Genetics Home Reference: rapid-onset dystonia parkinsonism

MedlinePlus

... 9. Citation on PubMed Brashear A, Dobyns WB, de Carvalho Aguiar P, Borg M, Frijns CJ, Gollamudi S, ... Kabakci K, Isbruch K, Schilling K, Hedrich K, de Carvalho Aguiar P, Ozelius LJ, Kramer PL, Schwarz ...

Cataloging in Publication; An LJ Mini-Symposium

ERIC Educational Resources Information Center

Dunlap, Connie R.; And Others

1974-01-01

A report, including statistics, on the status of the Library of Congress Cataloging in Publication (CIP) program is presented followed by commentaries by Maurice Freedman, Herbert S. Bailey, Jr., Lois Hacker, and Marvin H. Scilken. (PF)

Networks & Cooperation: An LJ Mini-Symposium

ERIC Educational Resources Information Center

Trezza, Alphonse F.; And Others

1974-01-01

A collection of short essays by Alphonse Trezza, Edwin Beckerman, Albert De Caprio, Marilyn Gell, Ed Sayre, Elizabeth Hage, and Shirley Echelman on the development of library networks and the possible implications of the establishment of metropolitan library authorities.

How Many Cancers Are Linked with HPV Each Year?

MedlinePlus

... 24:1548–1556. 3 Viens LJ, Henley SJ, Watson M, Markowitz LE, Thomas CC, Thompson TD, Razzaghi ... Lynch CF, Hernandez BY, Lyu CW, Steinau M, Watson M, Wilkinson EJ, Hopenhayn C, Copeland G, Cozen ...

Anaplastic thyroid cancer

MedlinePlus

... M, Ladenson P. Thyroid. In: Goldman L, Schafer AI, eds. Goldman's Cecil Medicine . 25th ed. Philadelphia, PA: Elsevier Saunders; 2016:chap 226. Lai SY, Mandel SJ, Weber RS. Management of thyroid neoplasms. In: Flint PW, Haughey BH, Lund LJ, et ...

Thermal and elastic properties of solid neon

NASA Astrophysics Data System (ADS)

Acocella, Dominic; Horton, George K.; Cowley, E. Roger

2000-04-01

We apply the improved effective potential Monte Carlo (IEP) and the improved self-consistent (ISC) theories to study the thermal and elastic properties of natural solid Ne. As a first orientation, we use the (12-6) Lennard-Jones (LJ) potential for first-neighbor forces only. The two parameters in the potential are determined from the 0 K lattice spacing and the sublimation energy of the crystal. We also create a realistic interatomic potential for the Ne dimer based on our study of the existing literature. When supplemented by many-body contributions, this potential is also used with ISC and IEP. The results are then compared with the experimental data in the literature. We conclude that our realistic potential which we regard as the best currently available is not significantly superior in accounting for the experimental data to the LJ potential, though both give a decent account of the experimental data.

Heat transfer from nanoparticles: a corresponding state analysis.

PubMed

Merabia, Samy; Shenogin, Sergei; Joly, Laurent; Keblinski, Pawel; Barrat, Jean-Louis

2009-09-08

In this contribution, we study situations in which nanoparticles in a fluid are strongly heated, generating high heat fluxes. This situation is relevant to experiments in which a fluid is locally heated by using selective absorption of radiation by solid particles. We first study this situation for different types of molecular interactions, using models for gold particles suspended in octane and in water. As already reported in experiments, very high heat fluxes and temperature elevations (leading eventually to particle destruction) can be observed in such situations. We show that a very simple modeling based on Lennard-Jones (LJ) interactions captures the essential features of such experiments and that the results for various liquids can be mapped onto the LJ case, provided a physically justified (corresponding state) choice of parameters is made. Physically, the possibility of sustaining very high heat fluxes is related to the strong curvature of the interface that inhibits the formation of an insulating vapor film.

Final Remedial Investigation/Baseline Risk Assessment for the Ravines and Beach Area Study of the Surplus Operable Unit, Fort Sheridan, Illinois. Volume 1: RI Text and RI Appendices A-I.

DTIC Science & Technology

1998-04-13

f73o* ^V^^- l^-J&4-g>- «Ajjv»^*^Y gvrg-ft^i Q^r-^vj-eJl -^TVYN ffa 3c 4*> lඑ^=> -£=r~. cgyjv-p f...fvvo H’fefat. l°3> A 13,o — £.3’ fW=> {vfi- ffa ^ os-iC 6 lza/1 *2- r^5^ to/»e(%L C83’ ISTR/METHOD: 8 jPS-g- |17^ I a«, IT N^T K... BBP -Beplieatt MST-bsmmeat

Effective particle size from molecular dynamics simulations in fluids

NASA Astrophysics Data System (ADS)

Ju, Jianwei; Welch, Paul M.; Rasmussen, Kim Ø.; Redondo, Antonio; Vorobieff, Peter; Kober, Edward M.

2018-04-01

We report molecular dynamics simulations designed to investigate the effective size of colloidal particles suspended in a fluid in the vicinity of a rigid wall where all interactions are defined by smooth atomic potential functions. These simulations are used to assess how the behavior of this system at the atomistic length scale compares to continuum mechanics models. In order to determine the effective size of the particles, we calculate the solvent forces on spherical particles of different radii as a function of different positions near and overlapping with the atomistically defined wall and compare them to continuum models. This procedure also then determines the effective position of the wall. Our analysis is based solely on forces that the particles sense, ensuring self-consistency of the method. The simulations were carried out using both Weeks-Chandler-Andersen and modified Lennard-Jones (LJ) potentials to identify the different contributions of simple repulsion and van der Waals attractive forces. Upon correction for behavior arising the discreteness of the atomic system, the underlying continuum physics analysis appeared to be correct down to much less than the particle radius. For both particle types, the effective radius was found to be ˜ 0.75σ , where σ defines the length scale of the force interaction (the LJ diameter). The effective "hydrodynamic" radii determined by this means are distinct from commonly assumed values of 0.5σ and 1.0σ , but agree with a value developed from the atomistic analysis of the viscosity of such systems.

Effective particle size from molecular dynamics simulations in fluids

NASA Astrophysics Data System (ADS)

Ju, Jianwei; Welch, Paul M.; Rasmussen, Kim Ø.; Redondo, Antonio; Vorobieff, Peter; Kober, Edward M.

2017-12-01

We report molecular dynamics simulations designed to investigate the effective size of colloidal particles suspended in a fluid in the vicinity of a rigid wall where all interactions are defined by smooth atomic potential functions. These simulations are used to assess how the behavior of this system at the atomistic length scale compares to continuum mechanics models. In order to determine the effective size of the particles, we calculate the solvent forces on spherical particles of different radii as a function of different positions near and overlapping with the atomistically defined wall and compare them to continuum models. This procedure also then determines the effective position of the wall. Our analysis is based solely on forces that the particles sense, ensuring self-consistency of the method. The simulations were carried out using both Weeks-Chandler-Andersen and modified Lennard-Jones (LJ) potentials to identify the different contributions of simple repulsion and van der Waals attractive forces. Upon correction for behavior arising the discreteness of the atomic system, the underlying continuum physics analysis appeared to be correct down to much less than the particle radius. For both particle types, the effective radius was found to be ˜ 0.75σ , where σ defines the length scale of the force interaction (the LJ diameter). The effective "hydrodynamic" radii determined by this means are distinct from commonly assumed values of 0.5σ and 1.0σ , but agree with a value developed from the atomistic analysis of the viscosity of such systems.

Accuracy of different Xpert MTB/Rif implementation strategies in programmatic settings at the regional referral hospitals in Uganda: Evidence for country wide roll out

PubMed Central

Sekibira, Rogers; Kirenga, Bruce; Katamba, Achilles; Joloba, Moses

2018-01-01

Background Xpert MTB/RIF assay is a highly sensitive test for TB diagnosis, but still costly to most low-income countries. Several implementation strategies instead of frontline have been suggested; however with scarce data. We assessed accuracy of different Xpert MTB/RIF implementation strategies to inform national roll-out. Methods This was a cross-sectional study of 1,924 adult presumptive TB patients in five regional referral hospitals of Uganda. Two sputum samples were collected, one for fluorescent microscopy (FM) and Xpert MTB/RIF examined at the study site laboratories. The second sample was sent to the Uganda Supra National TB reference laboratory for culture using both Lowenstein Jensen (LJ) and liquid culture (MGIT). We compared the sensitivities of FM, Xpert MTB/RIF and the incremental sensitivity of Xpert MTB/RIF among patients negative on FM using LJ and/or MGIT as a reference standard. Results A total 1924 patients were enrolled of which 1596 (83%) patients had at least one laboratory result and 1083 respondents had a complete set of all the laboratory results. A total of 328 (30%) were TB positive on LJ and /or MGIT culture. The sensitivity of FM was n (%; 95% confidence interval) 246 (63.5%; 57.9–68.7) overall compared to 52 (55.4%; 44.1–66.3) among HIV positive individuals, while the sensitivity of Xpert MTB/RIF was 300 (76.2%; 71.7–80.7) and 69 (71.6%; 60.5–81.1) overall and among HIV positive individuals respectively. Overall incremental sensitivity of Xpert MTB/RIF was 60 (36.5%; 27.7–46.0) and 20 (41.7%; 25.5–59.2) among HIV positive individuals. Conclusion Xpert MTB/RIF has a higher sensitivity than FM both in general population and HIV positive population. Xpert MTB/RIF offers a significant increase in terms of diagnostic sensitivity even when it is deployed selectively i.e. among smear negative presumptive TB patients. Our results support frontline use of Xpert MTB/RIF assay in high HIV/TB prevalent countries. In settings with limited access, mechanisms to refer smear negative sputum samples to Xpert MTB/RIF hubs are recommended. PMID:29566056

The impact of surface area, volume, curvature, and Lennard-Jones potential to solvation modeling.

PubMed

Nguyen, Duc D; Wei, Guo-Wei

2017-01-05

This article explores the impact of surface area, volume, curvature, and Lennard-Jones (LJ) potential on solvation free energy predictions. Rigidity surfaces are utilized to generate robust analytical expressions for maximum, minimum, mean, and Gaussian curvatures of solvent-solute interfaces, and define a generalized Poisson-Boltzmann (GPB) equation with a smooth dielectric profile. Extensive correlation analysis is performed to examine the linear dependence of surface area, surface enclosed volume, maximum curvature, minimum curvature, mean curvature, and Gaussian curvature for solvation modeling. It is found that surface area and surfaces enclosed volumes are highly correlated to each other's, and poorly correlated to various curvatures for six test sets of molecules. Different curvatures are weakly correlated to each other for six test sets of molecules, but are strongly correlated to each other within each test set of molecules. Based on correlation analysis, we construct twenty six nontrivial nonpolar solvation models. Our numerical results reveal that the LJ potential plays a vital role in nonpolar solvation modeling, especially for molecules involving strong van der Waals interactions. It is found that curvatures are at least as important as surface area or surface enclosed volume in nonpolar solvation modeling. In conjugation with the GPB model, various curvature-based nonpolar solvation models are shown to offer some of the best solvation free energy predictions for a wide range of test sets. For example, root mean square errors from a model constituting surface area, volume, mean curvature, and LJ potential are less than 0.42 kcal/mol for all test sets. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

IPDO-2007: Inverse Problems, Design and Optimization Symposium

DTIC Science & Technology

2007-08-01

Kanevce, G. H., Kanevce, Lj. P., and Mitrevski , V. B.), International Symposium on Inverse Problems, Design and Optimization (IPDO-2007), (eds...107 Gligor Kanevce Ljubica Kanevce Vangelce Mitrevski George Dulikravich 108 Gligor Kanevce Ljubica Kanevce Igor Andreevski George Dulikravich

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model

PubMed Central

Bauer, Brad A.; Patel, Sandeep

2009-01-01

We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly on properties along the liquid-vapor coexistence curve of pure water. Parametrized to reproduce condensed-phase liquid water properties at 298 K, the TIP4P-QDP-LJ model predicts density, enthalpy of vaporization, self-diffusion constant, and the dielectric constant at ambient conditions to about the same accuracy as TIP4P-QDP but shows remarkable improvement in reproducing the liquid-vapor coexistence curve. TIP4P-QDP-LJ predicts critical constants of Tc=623 K, ρc=0.351 g∕cm3, and Pc=250.9 atm, which are in good agreement with experimental values of Tc=647.1 K, ρc=0.322 g∕cm3, and Pc=218 atm, respectively. Applying a scaling factor correction (obtained by fitting the experimental vapor-liquid equilibrium data to the law of rectilinear diameters using a three-term Wegner expansion) the model predicts critical constants (Tc=631 K and ρc=0.308 g∕cm3). Dependence of enthalpy of vaporization, self-diffusion constant, surface tension, and dielectric constant on temperature are shown to reproduce experimental trends. We also explore the interfacial potential drop across the liquid-vapor interface for the temperatures studied. The interfacial potential demonstrates little temperature dependence at lower temperatures (300–450 K) and significantly enhanced (exponential) dependence at elevated temperatures. Terms arising from the decomposition of the interfacial potential into dipole and quadrupole contributions are shown to monotonically approach zero as the temperature approaches the critical temperature. Results of this study suggest that self-consistently treating the coupling of phase-dependent polarizability with dispersion interactions in classical water force fields may be an important effect for the extension of polarizable water force fields to reproduce properties along the liquid-vapor coexistence envelope as well as near critical conditions. More importantly, the present study demonstrates the rather remarkable transferability of a water model parametrized to a single state point to other thermodynamic states. Further studies are recommended. PMID:19725623

Variability of the Intestinal Uptake of Lipids Is Genetically Determined in Mice

PubMed Central

Keelan, M.; Hui, D.Y.; Wild, G.; Clandinin, M.T.

2008-01-01

The response of the plasma cholesterol concentration to changes in dietary lipids varies widely in humans and animals. There are variations in the in vivo absorption of cholesterol between different strains of mice. This study was undertaken in three strains of inbred mice to test the hypotheses that: (i) there are strain differences in the in vitro uptake of fatty acids and cholesterol and (ii) the adaptability of the intestine to respond to variations in dietary lipids is genetically determined. An in vitro intestinal ring technique was used to assess the uptake of medium- and long-chain fatty acids and cholesterol into jejunum and ileum of adult DBA/2, C57BL6, and C57L/J mice. The jejunal uptake of cholesterol was similar in C57L/J, DBA/2, or C57BL6 fed ad libitum a low-fat (5.7% fat, no cholesterol) chow diet. This is in contrast to a previous demonstration that in vivo cholesterol absorption was lower in C57L/J than in the other murine strains. The jejunal uptake of several long-chain fatty acids was greater in DBA/2 fed for 4 wk the high-fat (15.8% fat and 1.25% cholesterol) as compared with the low-fat diet. Furthermore, on the high-fat diet, the uptake of many long-chain fatty acids was higher in DBA/2 than in C57BL6 or C57L/J. The differences in cholesterol and fatty acid uptake were not explained by variations in food uptake, body weight gain, or the weight of the intestine. In summary: (i) there are strain differences in the in vitro intestinal uptake of fatty acids but not of cholesterol; (ii) a high-fat diet enhances the uptake of long-chain fatty acids in only one of the three strains examined in this study; and (iii) the pattern of strain- and diet-associated alterations in the in vivo absorption of cholesterol differs from the pattern of changes observed in vitro. We speculate that genetic differences in cholesterol and fatty acid uptake are explained by variations in the expression of protein-mediated components of lipid uptake. PMID:10984106

Effects of Unloaded vs. Loaded Plyometrics on Speed and Power Performance of Elite Young Soccer Players.

PubMed

Kobal, Ronaldo; Pereira, Lucas A; Zanetti, Vinicius; Ramirez-Campillo, Rodrigo; Loturco, Irineu

2017-01-01

The purpose of this study was to investigate the effects of loaded and unloaded plyometric training strategies on speed and power performance of elite young soccer players. Twenty-three under-17 male soccer players (age: 15.9 ± 1.2 years, height: 178.3 ± 8.1 cm, body-mass (BM): 68.1 ± 9.3 kg) from the same club took part in this study. The athletes were pair-matched in two training groups: loaded vertical and horizontal jumps using an haltere type handheld with a load of 8% of the athletes' body mass (LJ; n = 12) and unloaded vertical and horizontal plyometrics (UJ; n = 11). Sprinting speeds at 5-, 10-, and 20-m, mean propulsive power (MPP) relative to the players' BM in the jump squat exercise, and performance in the squat jump (SJ) and countermovement jump (CMJ) were assessed pre- and post-training period. During the experimental period, soccer players performed 12 plyometric training sessions across a 6-week preseason period. Magnitude based inferences and standardized differences were used for statistical analysis. A very likely increase in the vertical jumps was observed for the LJ group (99/01/00 and 98/02/00 for SJ and CMJ, respectively). In the UJ group a likely increase was observed for both vertical jumps (83/16/01 and 90/10/00, for SJ and CMJ, respectively). An almost certainly decrease in the sprinting velocities along the 20-m course were found in the LJ group (00/00/100 for all split distances tested). Meanwhile, in the UJ likely to very likely decreases were observed for all sprinting velocities tested (03/18/79, 01/13/86, and 00/04/96, for velocities in 5-, 10-, and 20-m, respectively). No meaningful differences were observed for the MPP in either training group (11/85/04 and 37/55/08 for LJ and UJ, respectively). In summary, under-17 professional soccer players increased jumping ability after a 6-week preseason training program, using loaded or unloaded jumps. Despite these positive adaptations, both plyometric strategies failed to produce worthwhile improvements in maximal speed and power performances, which is possible related to the interference of concurrent training effects. New training strategies should be developed to ensure adequate balance between power and endurance loads throughout short (and high-volume) soccer preseasons.

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model.

PubMed

Bauer, Brad A; Patel, Sandeep

2009-08-28

We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly on properties along the liquid-vapor coexistence curve of pure water. Parametrized to reproduce condensed-phase liquid water properties at 298 K, the TIP4P-QDP-LJ model predicts density, enthalpy of vaporization, self-diffusion constant, and the dielectric constant at ambient conditions to about the same accuracy as TIP4P-QDP but shows remarkable improvement in reproducing the liquid-vapor coexistence curve. TIP4P-QDP-LJ predicts critical constants of T(c)=623 K, rho(c)=0.351 g/cm(3), and P(c)=250.9 atm, which are in good agreement with experimental values of T(c)=647.1 K, rho(c)=0.322 g/cm(3), and P(c)=218 atm, respectively. Applying a scaling factor correction (obtained by fitting the experimental vapor-liquid equilibrium data to the law of rectilinear diameters using a three-term Wegner expansion) the model predicts critical constants (T(c)=631 K and rho(c)=0.308 g/cm(3)). Dependence of enthalpy of vaporization, self-diffusion constant, surface tension, and dielectric constant on temperature are shown to reproduce experimental trends. We also explore the interfacial potential drop across the liquid-vapor interface for the temperatures studied. The interfacial potential demonstrates little temperature dependence at lower temperatures (300-450 K) and significantly enhanced (exponential) dependence at elevated temperatures. Terms arising from the decomposition of the interfacial potential into dipole and quadrupole contributions are shown to monotonically approach zero as the temperature approaches the critical temperature. Results of this study suggest that self-consistently treating the coupling of phase-dependent polarizability with dispersion interactions in classical water force fields may be an important effect for the extension of polarizable water force fields to reproduce properties along the liquid-vapor coexistence envelope as well as near critical conditions. More importantly, the present study demonstrates the rather remarkable transferability of a water model parametrized to a single state point to other thermodynamic states. Further studies are recommended.

Free energy landscape from path-sampling: application to the structural transition in LJ38

NASA Astrophysics Data System (ADS)

Adjanor, G.; Athènes, M.; Calvo, F.

2006-09-01

We introduce a path-sampling scheme that allows equilibrium state-ensemble averages to be computed by means of a biased distribution of non-equilibrium paths. This non-equilibrium method is applied to the case of the 38-atom Lennard-Jones atomic cluster, which has a double-funnel energy landscape. We calculate the free energy profile along the Q4 bond orientational order parameter. At high or moderate temperature the results obtained using the non-equilibrium approach are consistent with those obtained using conventional equilibrium methods, including parallel tempering and Wang-Landau Monte Carlo simulations. At lower temperatures, the non-equilibrium approach becomes more efficient in exploring the relevant inherent structures. In particular, the free energy agrees with the predictions of the harmonic superposition approximation.

77 FR 6945 - Special Conditions: Learjet Inc., Learjet Model LJ-200-1A10; Interaction of Systems and Structures

Federal Register 2010, 2011, 2012, 2013, 2014

2012-02-10

... the system responses and performances. They cannot be considered in isolation but should be included... maintained. (iv) Failures of the system that result in forced structural vibrations (oscillatory failures...

Genetics Home Reference: hypokalemic periodic paralysis

MedlinePlus

... C, Alderson K, Griggs RC, Tawil R, Gregg R, Hogan K, Powers PA, Weinberg N, Malonee W, Ptácek LJ. ... Citation on PubMed Lehmann-Horn F, Jurkat-Rott K, Rüdel R. Periodic paralysis: understanding channelopathies. Curr Neurol Neurosci Rep. ...

Characterization of Mycobacterium tuberculosis isolates from Hebei, China: genotypes and drug susceptibility phenotypes.

PubMed

Li, Yanan; Cao, Xinrui; Li, Shiming; Wang, Hao; Wei, Jianlin; Liu, Peng; Wang, Jing; Zhang, Zhi; Gao, Huixia; Li, Machao; Wan, Kanglin; Dai, Erhei

2016-03-03

Tuberculosis remains a major public health problem in China. The Hebei province is located in the Beijing-Tianjin-Hebei integration region; however little information about the genetic diversity of Mycobacterium tuberculosis was available in this area. This study describes the first attempt to map the molecular epidemiology of MTB strains isolated from Hebei. Spoligotyping and 15-locus MIRU-VNTR were performed in combination to yield specific genetic profiles of 1017 MTB strains isolated from ten cities in the Hebei province in China during 2014. Susceptibility testing to first line anti-TB drugs was also conducted for all strains using the L-J proportion method. Based on the SpolDB4.0 database, the predominant spoligotype belonged to the Beijing family (90.5%), followed by T family (6.3%). Using 15-locus MIRU-VNTR clustering analysis, 846 different patterns were identified, including 84 clusters (2-17 strains per cluster) and 764 individual types. Drug susceptibility pattern showed that 347 strains (34.1%) were resistant to at least one of the first line drugs, including 134 (13.2%) multi-drug resistance strains. Statistical analysis indicated that drug resistance was associated with treatment history. The Beijing family was associated with genetic clustering. However, no significant difference was observed between the Beijing and non-Beijing family in gender, age, treatment history and drug resistance. The Mycobacterium tuberculosis strains in Hebei exhibit high genetic diversity. The Beijing family is the most prevalent lineage in this area. Spoligotyping in combination with 15-locus MIRU-VNTR is a useful tool to study the molecular epidemiology of the MTB strains in Hebei.

Longitudinal Joint Repair Best Practices for the Ohio Department of Transportation

DOT National Transportation Integrated Search

2017-07-01

The Ohio Department of Transportation (ODOT) has identified longitudinal joint (LJ) failure of existing hot-mix asphalt (HMA) paving as a systemic weakness in the structure of some asphalt surfaces. In the past, these joint failures were treated as i...

U.S. EPA, Pesticide Product Label, DUPONT REQUIRE Q HERBICIDE, 10/07/2008

EPA Pesticide Factsheets

2011-04-14

... t~~t~~a~:t!!~lj~~~" . sterner ence.a licationsof REQU1RE® Q;:asweU;: . ~~fi~~, appljs~,~i~(s)~"gfp~qd~tslips,~~~,i;/, .DuPont. .•. ...

Mercury Project

NASA Image and Video Library

1960-01-21

The Little Joe launch vehicle for the LJ1 mission on the launch pad at the wallops Flight Facility, Wallops Island, Virginia, on January 21, 1960. This mission achieved the suborbital Mercury cupsule test, testing of the escape system, and biomedical tests by using a monkey, named Miss Sam.

Explicit expressions of self-diffusion coefficient, shear viscosity, and the Stokes-Einstein relation for binary mixtures of Lennard-Jones liquids

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

Ohtori, Norikazu, E-mail: ohtori@chem.sc.niigata-u.ac.jp; Ishii, Yoshiki

Explicit expressions of the self-diffusion coefficient, D{sub i}, and shear viscosity, η{sub sv}, are presented for Lennard-Jones (LJ) binary mixtures in the liquid states along the saturated vapor line. The variables necessary for the expressions were derived from dimensional analysis of the properties: atomic mass, number density, packing fraction, temperature, and the size and energy parameters used in the LJ potential. The unknown dependence of the properties on each variable was determined by molecular dynamics (MD) calculations for an equimolar mixture of Ar and Kr at the temperature of 140 K and density of 1676 kg m{sup −3}. The scalingmore » equations obtained by multiplying all the single-variable dependences can well express D{sub i} and η{sub sv} evaluated by the MD simulation for a whole range of compositions and temperatures without any significant coupling between the variables. The equation for D{sub i} can also explain the dual atomic-mass dependence, i.e., the average-mass and the individual-mass dependence; the latter accounts for the “isotope effect” on D{sub i}. The Stokes-Einstein (SE) relation obtained from these equations is fully consistent with the SE relation for pure LJ liquids and that for infinitely dilute solutions. The main differences from the original SE relation are the presence of dependence on the individual mass and on the individual energy parameter. In addition, the packing-fraction dependence turned out to bridge another gap between the present and original SE relations as well as unifying the SE relation between pure liquids and infinitely dilute solutions.« less

Molecular dynamics simulation of solute diffusion in Lennard-Jones fluids

NASA Astrophysics Data System (ADS)

Yamaguchi, T.; Kimura, Y.; Hirota, N.

We performed a molecular dynamics (MD) simulation for a system of 5 solute molecules in 495 solvent molecules interacting through the Lennard-Jones (LJ) 12-6 potential, in order to study solvent density effects on the diffusion coefficients in supercritical fluids. The effects of the size of the solute and the strength of the solute-solvent attractive interaction on the diffusion coefficient of the solute were examined. The diffusion coefficients of the solute molecules were calculated at T = 1.5 (in the LJ reduced unit), slightly above the critical temperature, from rho = 0.1 to rho = 0.95, where rho is the number density in the LJ reduced unit. The memory function in the generalized Langevin equation was calculated, in order to know the molecular origin of the friction on a solute. The memory function is separated into fast and slow components. The former arises from the solute-solvent repulsive interaction, and is interpreted as collisional Enskog-like friction. The interaction strength dependence of the collisional friction is larger in the low- and medium-density regions, which is consistent with the 'clustering' picture, i.e., the local density enhancement due to the solute-solvent attractive interaction. However, the slow component of the memory function suppresses the effect of the local density on the diffusion coefficients, and as a result the effect of the attractive interaction is smaller on the diffusion coefficients than on the local density. Nonetheless, the solvent density dependence of the effect of the attraction on the diffusion coefficient varies with the local density, and it is concluded that the local density is the principal factor that determines the interaction strength dependence of the diffusion coefficient in the low- and medium-density regions (p < 0.6).

OMNIgene.SPUTUM suppresses contaminants while maintaining Mycobacterium tuberculosis viability and obviates cold-chain transport.

PubMed

Azam, Khalide; Cadir, Nureisha; Madeira, Carla; Gillespie, Stephen H; Sabiiti, Wilber

2018-01-01

Tuberculosis (TB) diagnostics are centralised, requiring long-distance transportation of specimens in most resource-limited settings. We evaluated the ability of OMNIgene.SPUTUM (OM-S) to obviate cold-chain transport of TB specimens. A two-arm (same-day and after 5 days sample processing) study was conducted to assess contamination rates and Mycobacterium tuberculosis viability in OM-S-treated samples against the standard decontamination procedure (SDP) in Mozambique, using Lowenstein Jensen (LJ) and mycobacterial growth indicator tube (MGIT) culture and molecular bacterial load assay. 270 specimens were processed using OM-S and SDP in same-day and 5-day arms. Contamination was lower in OM-S-treated than SDP-treated cultures: 12% versus 15% and 2% versus 27% in the same-day and 5-day arms, respectively. M. tuberculosis recovery in OM-S-treated LJ cultures was 10% and 56% higher in the same-day and 5-day arms, respectively, than SDP-treated cultures, but lower in MGIT (52% and 28% lower in the same-day and 5-day arms, respectively). M. tuberculosis viable count was 1log estimated CFU·mL -1 lower in 5-day OM-S-treated sputa. OM-S was more effective at liquefying sputum with a shorter sample processing time: 22 min for culture. OM-S is simple to use and has demonstrated a high potency to suppress contaminants, maintenance of viability at ambient temperatures and higher M. tuberculosis recovery, particularly in the solid LJ cultures. Optimisation of OM-S to achieve higher MGIT culture positivity and shorter time to result will increase its application and utility in the clinical management of TB.

OMNIgene.SPUTUM suppresses contaminants while maintaining Mycobacterium tuberculosis viability and obviates cold-chain transport

PubMed Central

Azam, Khalide; Cadir, Nureisha; Madeira, Carla; Gillespie, Stephen H.; Sabiiti, Wilber

2018-01-01

Tuberculosis (TB) diagnostics are centralised, requiring long-distance transportation of specimens in most resource-limited settings. We evaluated the ability of OMNIgene.SPUTUM (OM-S) to obviate cold-chain transport of TB specimens. A two-arm (same-day and after 5 days sample processing) study was conducted to assess contamination rates and Mycobacterium tuberculosis viability in OM-S-treated samples against the standard decontamination procedure (SDP) in Mozambique, using Lowenstein Jensen (LJ) and mycobacterial growth indicator tube (MGIT) culture and molecular bacterial load assay. 270 specimens were processed using OM-S and SDP in same-day and 5-day arms. Contamination was lower in OM-S-treated than SDP-treated cultures: 12% versus 15% and 2% versus 27% in the same-day and 5-day arms, respectively. M. tuberculosis recovery in OM-S-treated LJ cultures was 10% and 56% higher in the same-day and 5-day arms, respectively, than SDP-treated cultures, but lower in MGIT (52% and 28% lower in the same-day and 5-day arms, respectively). M. tuberculosis viable count was 1log estimated CFU·mL−1 lower in 5-day OM-S-treated sputa. OM-S was more effective at liquefying sputum with a shorter sample processing time: 22 min for culture. OM-S is simple to use and has demonstrated a high potency to suppress contaminants, maintenance of viability at ambient temperatures and higher M. tuberculosis recovery, particularly in the solid LJ cultures. Optimisation of OM-S to achieve higher MGIT culture positivity and shorter time to result will increase its application and utility in the clinical management of TB. PMID:29479537

Temporal, but not spatial, changes in expression patterns of petal identity genes are associated with loss of papillate conical cells and the shift to bird pollination in Macaronesian Lotus (Leguminosae).

PubMed

Ojeda, D I; Jaén-Molina, R; Santos-Guerra, A; Caujape-Castells, J; Cronk, Q

2017-05-01

In the generally bee-pollinated genus Lotus a group of four species have evolved bird-pollinated flowers. The floral changes in these species include altered petal orientation, shape and texture. In Lotus these characters are associated with dorsiventral petal identity, suggesting that shifts in the expression of dorsal identity genes may be involved in the evolution of bird pollination. Of particular interest is Lotus japonicus CYCLOIDEA 2 (LjCYC2), known to determine the presence of papillate conical cells on the dorsal petal in L. japonicus. Bird-pollinated species are unusual in not having papillate conical cells on the dorsal petal. Using RT-PCR at various stages of flower development, we determined the timing of expression in all petal types for the three putative petal identity genes (CYC-like genes) in different species with contrasting floral morphology and pollination syndromes. In bird-pollinated species the dorsal identity gene, LjCYC2, is not expressed at the floral stage when papillate conical cells are normally differentiating in bee-pollinated species. In contrast, in bee-pollinated species, LjCYC2 is expressed during conical cell development. Changes in the timing of expression of the above two genes are associated with modifications in petal growth and lateralisation of the dorsal and ventral petals in the bird-pollinated species. This study indicates that changes in the timing, rather than spatial distribution, of expression likely contribute to the modifications of petal micromorphology and petal size during the transition from bee to bird pollination in Macaronesian Lotus species. © 2017 German Botanical Society and The Royal Botanical Society of the Netherlands.

BIO 300, a nanosuspension of genistein, mitigates pneumonitis/fibrosis following high-dose radiation exposure in the C57L/J murine model.

PubMed

Jackson, Isabel L; Zodda, Andrew; Gurung, Ganga; Pavlovic, Radmila; Kaytor, Michael D; Kuskowski, Michael A; Vujaskovic, Zeljko

2017-12-01

BIO 300 nanosuspension (Humanetics Corporation) is being developed as a medical countermeasure (MCM) for the mitigation of the delayed effects of acute radiation exposure, specifically pneumonitis and fibrosis of the lung. The objective of this study was to determine the best dose and treatment duration of BIO 300 to mitigate lung injury and improve the likelihood for survival in C57L/J mice exposed to whole thorax lung irradiation (WTLI). Age- and sex-matched C57L/J mice received a single dose of 11.0 or 12.5 Gy WTLI. BIO 300 (200 or 400 mg·kg -1 , oral gavage) was administered daily starting 24 h post-exposure for a duration of 2, 4, 6 or, in some cases, 10 weeks. Non-treated controls were included for comparison in both sexes. Animals were observed daily for signs of major morbidity. Respiratory function was assessed biweekly. Lungs were collected, weighed and paraffin embedded for histological evaluation post mortem. BIO 300 administered at an oral dose of 400 mg·kg -1 for 4 to 6 weeks starting 24 h post-WTLI reduced morbidity associated with WTLI. The improvement in survival correlated with reduced respiratory frequency and enhanced pause. The irradiated lungs of mice treated with BIO 300 (400 mg·kg -1 ) for 4 to 6 weeks displayed less morphological damage and airway loss due to oedema, congestion and fibrotic scarring than the untreated, irradiated controls. BIO 300 is a promising MCM candidate to mitigate pneumonitis/fibrosis when administered daily for 4-6 weeks starting 24 h post-exposure. © 2017 The British Pharmacological Society.

Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules

NASA Astrophysics Data System (ADS)

Fyta, Maria; Netz, Roland R.

2012-03-01

Using molecular dynamics (MD) simulations in conjunction with the SPC/E water model, we optimize ionic force-field parameters for seven different halide and alkali ions, considering a total of eight ion-pairs. Our strategy is based on simultaneous optimizing single-ion and ion-pair properties, i.e., we first fix ion-water parameters based on single-ion solvation free energies, and in a second step determine the cation-anion interaction parameters (traditionally given by mixing or combination rules) based on the Kirkwood-Buff theory without modification of the ion-water interaction parameters. In doing so, we have introduced scaling factors for the cation-anion Lennard-Jones (LJ) interaction that quantify deviations from the standard mixing rules. For the rather size-symmetric salt solutions involving bromide and chloride ions, the standard mixing rules work fine. On the other hand, for the iodide and fluoride solutions, corresponding to the largest and smallest anion considered in this work, a rescaling of the mixing rules was necessary. For iodide, the experimental activities suggest more tightly bound ion pairing than given by the standard mixing rules, which is achieved in simulations by reducing the scaling factor of the cation-anion LJ energy. For fluoride, the situation is different and the simulations show too large attraction between fluoride and cations when compared with experimental data. For NaF, the situation can be rectified by increasing the cation-anion LJ energy. For KF, it proves necessary to increase the effective cation-anion Lennard-Jones diameter. The optimization strategy outlined in this work can be easily adapted to different kinds of ions.

Spontaneous cavitation in a Lennard-Jones liquid: Molecular dynamics simulation and the van der Waals-Cahn-Hilliard gradient theory

NASA Astrophysics Data System (ADS)

Baidakov, Vladimir G.

2016-02-01

The process of bubble nucleation in a Lennard-Jones (LJ) liquid is studied by molecular dynamics (MD) simulation. The bubble nucleation rate J is determined by the mean life-time method at temperatures above that of the triple point in the region of negative pressures. The results of simulation are compared with classical nucleation theory (CNT) and modified classical nucleation theory (MCNT), in which the work of formation of a critical bubble is determined in the framework of the van der Waals-Cahn-Hilliard gradient theory (GT). It has been found that the values of J obtained in MD simulation systematically exceed the data of CNT, and this excess in the nucleation rate reaches 8-10 orders of magnitude close to the triple point temperature. The results of MCNT are in satisfactory agreement with the data of MD simulation. To describe the properties of vapor-phase nuclei in the framework of GT, an equation of state has been built up which describes stable, metastable and labile regions of LJ fluids. The surface tension of critical bubbles γ has been found from CNT and data of MD simulation as a function of the radius of curvature of the surface of tension R*. The dependence γ(R*) has also been calculated from GT. The Tolman length has been determined, which is negative and in modulus equal to ≈(0.1 - 0.2) σ. The paper discusses the applicability of the Tolman formula to the description of the properties of critical nuclei in nucleation.

Effective Particle Size From Molecular Dynamics Simulations in Fluids

DOE PAGES

Ju, Jianwei; Welch, Paul Michael Jr.; Rasmussen, Kim Orskov; ...

2017-12-08

Here, we report molecular dynamics simulations designed to investigate the effective size of colloidal particles suspended in a fluid in the vicinity of a rigid wall where all interactions are defined by smooth atomic potential functions. These simulations are used to assess how the behavior of this system at the atomistic length scale compares to continuum mechanics models. In order to determine the effective size of the particles, we calculate the solvent forces on spherical particles of different radii as a function of different positions near and overlapping with the atomistically defined wall and compare them to continuum models. Thismore » procedure also then determines the effective position of the wall. Our analysis is based solely on forces that the particles sense, ensuring self-consistency of the method. The simulations were carried out using both Weeks–Chandler–Andersen and modified Lennard-Jones (LJ) potentials to identify the different contributions of simple repulsion and van der Waals attractive forces. Upon correction for behavior arising the discreteness of the atomic system, the underlying continuum physics analysis appeared to be correct down to much less than the particle radius. For both particle types, the effective radius was found to be ~0.75σ, where σ defines the length scale of the force interaction (the LJ diameter). The effective “hydrodynamic” radii determined by this means are distinct from commonly assumed values of 0.5σ and 1.0σ, but agree with a value developed from the atomistic analysis of the viscosity of such systems.« less

In silico prediction of drug solubility: 2. Free energy of solvation in pure melts.

PubMed

Lüder, Kai; Lindfors, Lennart; Westergren, Jan; Nordholm, Sture; Kjellander, Roland

2007-02-22

The solubility of drugs in water is investigated in a series of papers and in the current work. The free energy of solvation, DeltaG*(vl), of a drug molecule in its pure drug melt at 673.15 K (400 degrees C) has been obtained for 46 drug molecules using the free energy perturbation method. The simulations were performed in two steps where first the Coulomb and then the Lennard-Jones interactions were scaled down from full to no interaction. The results have been interpreted using a theory assuming that DeltaG*(vl) = DeltaG(cav) + E(LJ) + E(C)/2 where the free energy of cavity formation, DeltaG(cav), in these pure drug systems was obtained using hard body theories, and E(LJ) and E(C) are the Lennard-Jones and Coulomb interaction energies, respectively, of one molecule with the other ones. Since the main parameter in hard body theories is the volume fraction, an equation of state approach was used to estimate the molecular volume. Promising results were obtained using a theory for hard oblates, in which the oblate axial ratio was calculated from the molecular surface area and volume obtained from simulations. The Coulomb term, E(C)/2, is half of the Coulomb energy in accord with linear response, which showed good agreement with our simulation results. In comparison with our previous results on free energy of hydration, the Coulomb interactions in pure drug systems are weaker, and the van der Waals interactions play a more important role.

Effective Particle Size From Molecular Dynamics Simulations in Fluids

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

Ju, Jianwei; Welch, Paul Michael Jr.; Rasmussen, Kim Orskov

Here, we report molecular dynamics simulations designed to investigate the effective size of colloidal particles suspended in a fluid in the vicinity of a rigid wall where all interactions are defined by smooth atomic potential functions. These simulations are used to assess how the behavior of this system at the atomistic length scale compares to continuum mechanics models. In order to determine the effective size of the particles, we calculate the solvent forces on spherical particles of different radii as a function of different positions near and overlapping with the atomistically defined wall and compare them to continuum models. Thismore » procedure also then determines the effective position of the wall. Our analysis is based solely on forces that the particles sense, ensuring self-consistency of the method. The simulations were carried out using both Weeks–Chandler–Andersen and modified Lennard-Jones (LJ) potentials to identify the different contributions of simple repulsion and van der Waals attractive forces. Upon correction for behavior arising the discreteness of the atomic system, the underlying continuum physics analysis appeared to be correct down to much less than the particle radius. For both particle types, the effective radius was found to be ~0.75σ, where σ defines the length scale of the force interaction (the LJ diameter). The effective “hydrodynamic” radii determined by this means are distinct from commonly assumed values of 0.5σ and 1.0σ, but agree with a value developed from the atomistic analysis of the viscosity of such systems.« less

CoMD Implementation Suite in Emerging Programming Models

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

Haque, Riyaz; Reeve, Sam; Juallmes, Luc

CoMD-Em is a software implementation suite of the CoMD [4] proxy app using different emerging programming models. It is intended to analyze the features and capabilities of novel programming models that could help ensure code and performance portability and scalability across heterogeneous platforms while improving programmer productivity. Another goal is to provide the authors and venders with some meaningful feedback regarding the capabilities and limitations of their models. The actual application is a classical molecular dynamics (MD) simulation using either the Lennard-Jones method (LJ) or the embedded atom method (EAM) for primary particle interaction. The code can be extended tomore » support alternate interaction models. The code is expected ro run on a wide class of heterogeneous hardware configurations like shard/distributed/hybrid memory, GPU's and any other platform supported by the underlying programming model.« less

U.S. EPA, Pesticide Product Label, , 06/26/1984

EPA Pesticide Factsheets

2011-04-21

... '~'lti',n :\\,r '-Dfl(. j fir. "; .. i'l! f)rl:\\"1tion. 'olJ'.}·lrs.a.Il-;: (1) ('l!lr'l-:lj': v"l', '[" Florid'l, Ll)lIi~iana. ~ T~""t~ (,n1':) , i/.' 11'': tn" !,qr"'" r \\., t',. "~jnl.' ',' l' j ...

Spectroscopic Studies of Melanin.

DTIC Science & Technology

1986-01-01

operation of the laser optics; Mr. Thomas Haw; Dr. James Gallas; Ms. Christine L. Noah- Cooper for stimulating and useful conversations; and Lottie B...168B. 14. Kozikowski SD, Wolfram LJ, Alfano RR. Fluorescence spectroscopy of eumelanins. IEEE J Quant Electron 1984;OE20:1379-1382. 15. Slawinski J

Great Discoveries

ERIC Educational Resources Information Center

Fox, Bette-Lee; Heilbrun, Margaret; Hoffert, Barbara; Katterjohn, Anna; Kuzyk, Raya; Williams, Wilda

2009-01-01

What's hot? That's the question everyone asks during BookExpo America (BEA), held this year at New York's Jacob Javits Convention Center May 29-31. This article presents "Library Journal's" ("LJ's") review editors on their personal favorites from the BEA show floor. These include cookbooks, genre-crossers, small presses,…

Cluster growth mechanisms in Lennard-Jones fluids: A comparison between molecular dynamics and Brownian dynamics simulations

NASA Astrophysics Data System (ADS)

Jung, Jiyun; Lee, Jumin; Kim, Jun Soo

2015-03-01

We present a simulation study on the mechanisms of a phase separation in dilute fluids of Lennard-Jones (LJ) particles as a model of self-interacting molecules. Molecular dynamics (MD) and Brownian dynamics (BD) simulations of the LJ fluids are employed to model the condensation of a liquid droplet in the vapor phase and the mesoscopic aggregation in the solution phase, respectively. With emphasis on the cluster growth at late times well beyond the nucleation stage, we find that the growth mechanisms can be qualitatively different: cluster diffusion and coalescence in the MD simulations and Ostwald ripening in the BD simulations. We also show that the rates of the cluster growth have distinct scaling behaviors during cluster growth. This work suggests that in the solution phase the random Brownian nature of the solute dynamics may lead to the Ostwald ripening that is qualitatively different from the cluster coalescence in the vapor phase.

Prediction of surface tension of HFD-like fluids using the Fowler’s approximation

NASA Astrophysics Data System (ADS)

Goharshadi, Elaheh K.; Abbaspour, Mohsen

2006-09-01

The Fowler's expression for calculation of the reduced surface tension has been used for simple fluids using the Hartree-Fock Dispersion (HFD)-like potential (HFD-like fluids) obtained from the inversion of the viscosity collision integrals at zero pressure. In order to obtain the RDFs values needed for calculation of the surface tension, we have performed the MD simulation at different temperatures and densities and then fitted with an expression and compared the resulting RDFs with the experiment. Our results are in excellent accordance with experimental values when the vapor density has been considered, especially at high temperatures. We have also calculated the surface tension using a RDF's expression based on the Lennard-Jones (LJ) potential which was in good agreement with the molecular dynamics simulations. In this work, we have shown that our results based on HFD-like potential can describe the temperature dependence of the surface tension superior than that of LJ potential.

Heat transfer from nanoparticles: A corresponding state analysis

PubMed Central

Merabia, Samy; Shenogin, Sergei; Joly, Laurent; Keblinski, Pawel; Barrat, Jean-Louis

2009-01-01

In this contribution, we study situations in which nanoparticles in a fluid are strongly heated, generating high heat fluxes. This situation is relevant to experiments in which a fluid is locally heated by using selective absorption of radiation by solid particles. We first study this situation for different types of molecular interactions, using models for gold particles suspended in octane and in water. As already reported in experiments, very high heat fluxes and temperature elevations (leading eventually to particle destruction) can be observed in such situations. We show that a very simple modeling based on Lennard–Jones (LJ) interactions captures the essential features of such experiments and that the results for various liquids can be mapped onto the LJ case, provided a physically justified (corresponding state) choice of parameters is made. Physically, the possibility of sustaining very high heat fluxes is related to the strong curvature of the interface that inhibits the formation of an insulating vapor film. PMID:19571000

Why are para-hydrogen clusters superfluid? A quantum theorem of corresponding states study.

PubMed

Sevryuk, Mikhail B; Toennies, J Peter; Ceperley, David M

2010-08-14

The quantum theorem of corresponding states is applied to N=13 and N=26 cold quantum fluid clusters to establish where para-hydrogen clusters lie in relation to more and less quantum delocalized systems. Path integral Monte Carlo calculations of the energies, densities, radial and pair distributions, and superfluid fractions are reported at T=0.5 K for a Lennard-Jones (LJ) (12,6) potential using six different de Boer parameters including the accepted value for hydrogen. The results indicate that the hydrogen clusters are on the borderline to being a nonsuperfluid solid but that the molecules are sufficiently delocalized to be superfluid. A general phase diagram for the total and kinetic energies of LJ (12,6) clusters encompassing all sizes from N=2 to N=infinity and for the entire range of de Boer parameters is presented. Finally the limiting de Boer parameters for quantum delocalization induced unbinding ("quantum unbinding") are estimated and the new results are found to agree with previous calculations for the bulk and smaller clusters.

Air Force Academy Aeronautics Digest.

DTIC Science & Technology

1985-04-01

7964, 1964. 10. Dudzinski, J.T. and L.N. Krause , Flow Direction Measurement with Fixed-Position Probes, NASA TMX-1904, 1969. 11. Beecham, L.J. and...Bob Hatfield in instrumenting the hot-wire airfoil model and refurbishing the pitching mechanism, Mr Russ Me inzer and Mr. Wolfgang Bank of the

U.S. EPA, Pesticide Product Label, TNT GARBAGE CAN SPRAY AND DEODORIZER, 05/14/1970

EPA Pesticide Factsheets

2011-04-21

, , , < f , I. I. i f r ' ~' , . I. / f \\ \\ , , . l"T" Lj\\·llu'l~.: j I .. v . ! \\ f " ," • , I ; \\-.' I I L-' i ..J , .. -- 1Ii.." -: I I / . : / ~ I I \\ L--:I/ / ~~\\ Ji \\ ~"'\\ r. iLl' f. ...

Reed Hundt Speaks to Libraries: "LJ" Interview.

ERIC Educational Resources Information Center

St. Lifer, Evan

1997-01-01

Federal Communications Commission (FFC) chair Reed Hundt was interviewed regarding the criteria the FCC should adopt to determine telecommunications rate discounts for libraries. Hundt believes that while the American Library Association has been very active in communicating ideas, individual librarians have not participated enough in the process.…

Mercury Project

NASA Image and Video Library

1960-01-21

The launch of the Little Joe booster for the LJ1B mission on the launch pad from the wallops Flight Facility, Wallops Island, Virginia, on January 21, 1960. This mission achieved the suborbital Mercury capsule test, testing of the escape system, and biomedical tests by using a monkey, named Miss Sam.

An LJ Round Table with the Aggregators.

ERIC Educational Resources Information Center

Albanese, Andrew Richard

2002-01-01

Discusses the growing trend in aggregated article databases and includes individual views from a panel discussion. Highlights include publisher's embargoes of current content; views of academic libraries and of vendors; full-text issues; the Tasini v. New York Times Supreme Court case; consortial buying; and future possibilities. (LRW)

Spot sputum samples are at least as good as early morning samples for identifying Mycobacterium tuberculosis.

PubMed

Murphy, Michael E; Phillips, Patrick P J; Mendel, Carl M; Bongard, Emily; Bateson, Anna L C; Hunt, Robert; Murthy, Saraswathi; Singh, Kasha P; Brown, Michael; Crook, Angela M; Nunn, Andrew J; Meredith, Sarah K; Lipman, Marc; McHugh, Timothy D; Gillespie, Stephen H

2017-10-27

The use of early morning sputum samples (EMS) to diagnose tuberculosis (TB) can result in treatment delay given the need for the patient to return to the clinic with the EMS, increasing the chance of patients being lost during their diagnostic workup. However, there is little evidence to support the superiority of EMS over spot sputum samples. In this new analysis of the REMoxTB study, we compare the diagnostic accuracy of EMS with spot samples for identifying Mycobacterium tuberculosis pre- and post-treatment. Patients who were smear positive at screening were enrolled into the study. Paired sputum samples (one EMS and one spot) were collected at each trial visit pre- and post-treatment. Microscopy and culture on solid LJ and liquid MGIT media were performed on all samples; those missing corresponding paired results were excluded from the analyses. Data from 1115 pre- and 2995 post-treatment paired samples from 1931 patients enrolled in the REMoxTB study were analysed. Patients were recruited from South Africa (47%), East Africa (21%), India (20%), Asia (11%), and North America (1%); 70% were male, median age 31 years (IQR 24-41), 139 (7%) co-infected with HIV with a median CD4 cell count of 399 cells/μL (IQR 318-535). Pre-treatment spot samples had a higher yield of positive Ziehl-Neelsen smears (98% vs. 97%, P = 0.02) and LJ cultures (87% vs. 82%, P = 0.006) than EMS, but there was no difference for positivity by MGIT (93% vs. 95%, P = 0.18). Contaminated and false-positive MGIT were found more often with EMS rather than spot samples. Surprisingly, pre-treatment EMS had a higher smear grading and shorter time-to-positivity, by 1 day, than spot samples in MGIT culture (4.5 vs. 5.5 days, P < 0.001). There were no differences in time to positivity in pre-treatment LJ culture, or in post-treatment MGIT or LJ cultures. Comparing EMS and spot samples in those with unfavourable outcomes, there were no differences in smear or culture results, and positive results were not detected earlier in Kaplan-Meier analyses in either EMS or spot samples. Our data do not support the hypothesis that EMS samples are superior to spot sputum samples in a clinical trial of patients with smear positive pulmonary TB. Observed small differences in mycobacterial burden are of uncertain significance and EMS samples do not detect post-treatment positives any sooner than spot samples.

A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water

NASA Astrophysics Data System (ADS)

Schwörer, Magnus; Wichmann, Christoph; Tavan, Paul

2016-03-01

The infrared (IR) spectra of polypeptides are dominated by the so-called amide bands. Because they originate from the strongly polar and polarizable amide groups (AGs) making up the backbone, their spectral positions sensitively depend on the local electric fields. Aiming at accurate computations of these IR spectra by molecular dynamics (MD) simulations, which derive atomic forces from a hybrid quantum and molecular mechanics (QM/MM) Hamiltonian, here we consider the effects of solvation in bulk liquid water on the amide bands of the AG model compound N-methyl-acetamide (NMA). As QM approach to NMA we choose grid-based density functional theory (DFT). For the surrounding MM water, we develop, largely based on computations, a polarizable molecular mechanics (PMM) model potential called GP6P, which features six Gaussian electrostatic sources (one induced dipole, five static partial charge distributions) and, therefore, avoids spurious distortions of the DFT electron density in hybrid DFT/PMM simulations. Bulk liquid GP6P is shown to have favorable properties at the thermodynamic conditions of the parameterization and beyond. Lennard-Jones (LJ) parameters of the DFT fragment NMA are optimized by comparing radial distribution functions in the surrounding GP6P liquid with reference data obtained from a "first-principles" DFT-MD simulation. Finally, IR spectra of NMA in GP6P water are calculated from extended DFT/PMM-MD trajectories, in which the NMA is treated by three different DFT functionals (BP, BLYP, B3LYP). Method-specific frequency scaling factors are derived from DFT-MD simulations of isolated NMA. The DFT/PMM-MD simulations with GP6P and with the optimized LJ parameters then excellently predict the effects of aqueous solvation and deuteration observed in the IR spectra of NMA. As a result, the methods required to accurately compute such spectra by DFT/PMM-MD also for larger peptides in aqueous solution are now at hand.

A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water

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

Schwörer, Magnus; Wichmann, Christoph; Tavan, Paul, E-mail: tavan@physik.uni-muenchen.de

2016-03-21

The infrared (IR) spectra of polypeptides are dominated by the so-called amide bands. Because they originate from the strongly polar and polarizable amide groups (AGs) making up the backbone, their spectral positions sensitively depend on the local electric fields. Aiming at accurate computations of these IR spectra by molecular dynamics (MD) simulations, which derive atomic forces from a hybrid quantum and molecular mechanics (QM/MM) Hamiltonian, here we consider the effects of solvation in bulk liquid water on the amide bands of the AG model compound N-methyl-acetamide (NMA). As QM approach to NMA we choose grid-based density functional theory (DFT). Formore » the surrounding MM water, we develop, largely based on computations, a polarizable molecular mechanics (PMM) model potential called GP6P, which features six Gaussian electrostatic sources (one induced dipole, five static partial charge distributions) and, therefore, avoids spurious distortions of the DFT electron density in hybrid DFT/PMM simulations. Bulk liquid GP6P is shown to have favorable properties at the thermodynamic conditions of the parameterization and beyond. Lennard-Jones (LJ) parameters of the DFT fragment NMA are optimized by comparing radial distribution functions in the surrounding GP6P liquid with reference data obtained from a “first-principles” DFT-MD simulation. Finally, IR spectra of NMA in GP6P water are calculated from extended DFT/PMM-MD trajectories, in which the NMA is treated by three different DFT functionals (BP, BLYP, B3LYP). Method-specific frequency scaling factors are derived from DFT-MD simulations of isolated NMA. The DFT/PMM-MD simulations with GP6P and with the optimized LJ parameters then excellently predict the effects of aqueous solvation and deuteration observed in the IR spectra of NMA. As a result, the methods required to accurately compute such spectra by DFT/PMM-MD also for larger peptides in aqueous solution are now at hand.« less

U.S. EPA, Pesticide Product Label, GUARDCO MINT DISINFECTANT, 10/07/1983

EPA Pesticide Factsheets

2011-04-19

... I,., III ( ,I ~t·"f ( • /''1 !. 1 In!HI:.j'.l:tll y flu~') C ies or s.kln \\" .. Ith Oll~ot)! of \\· ... tl'l ftjr at '(>;.15t lJ! ... lIub'ect to car-cell.tion !~ ftCcordallce with FlU'" IIEC. ...

ASSESSMENT OF IN VITRO ANDROGENIC ACTIVITY IN KRAFT MILL EFFLUENT

EPA Science Inventory

Detection of In Vitro Androgenic Activity in Feedlot Effluent. Lambright, CS 1 , Guillette, LJ, Jr.2, Gray, LE, Jr.1 , 1USEPA, NHEERL, RTP, NC, 2 University of Florida, Dept. of Zoology, Gainesville FL

Recent studies have shown the presence of androgenic activity in water...

A Mixed Ballot Bag

ERIC Educational Resources Information Center

Freeman, Christopher

2008-01-01

According to the results of LJ's latest annual referenda survey, covering measures held between December 1, 2006, and November 30, 2007, voters approved both operating and building referenda at very high rates. If a library reported a referendum this year, chances are they are in high spirits. Operating referenda, with 69% of measures succeeding,…

Applying Automated Theorem Proving to Computer Security

DTIC Science & Technology

2008-03-01

CS96]”. Violations of policy can also be specified in this model. La Padula [Pad90] discusses a domain-independent formal model which imple- ments a...Science Laboratory, SRI International, Menlo Park, CA, September 1999. Pad90. L.J. La Padula . Formal modeling in a generalized framework for ac- cess

Top Audiobooks of 2009

ERIC Educational Resources Information Center

Kuzyk, Raya

2010-01-01

The past year's best audiobooks, all recipients of starred "LJ" reviews, are more varied than ever--they include a posthumously published novel ("The Girl Who Played with Fire"), two debut works of hard-boiled fiction ("The Manual of Detection" and "Bad Things Happen"), a meditation on the wonders of nature ("Summer World"), and a joint…

Tropical-Cyclone Flow Asymmetries Induced by a Uniform Flow Revisited

DTIC Science & Technology

2011-11-01

environment and they are deep, extending into the upper troposphere (not shown here). By 24 hours, convective cells are distributed over all four...GA. 2000 Evaluation of numerical predictions of boundary layer structure during the lake Michigan ozone study. J. Appl. Met., 39, 337-351. Shapiro LJ

Melanin: The Effects of Dimethyl Sulfoxide on the Spectral Properties.

DTIC Science & Technology

1986-01-01

the interpretation of the spectral data; Ms. Christine L. Noah-Cooper for stimulating and useful discussions; ’s. Lottie R. Applewhite for editorial...Photobiol 1978;28:75-81. 13. Gallas JP. Fluorescence of melanin. Dtiss Abstr Int 1982;43:1681. 14. Kozikowski SD, Wolfram LJ, Alfano RR. Fluorescence

U.S. EPA, Pesticide Product Label, , 12/18/1974

EPA Pesticide Factsheets

2011-04-19

... dnt "luit' Dalk' I ~J ~I.'( t ' r)r( l1ljCf' r'\\;I.:,~e!rl') t lL'Rufne:.; "ht"'t' ~r\\t PH.' " ,. 1 r 11( rr,l:tf1: , . . , Io/'fJn,., (or~(~,\\ r~~ '~._;t,alt ,'_I t"')\\e-:t-dl ;(' Hlf· ...

No Villains

ERIC Educational Resources Information Center

Berry, John N., III

2009-01-01

Hard times bring out the ambiguity in politics. Except for fiscal extremists, most politicians in North America want to support their libraries. When "Library Journal" ("LJ") planned to name the heroes and villains in the politics of library funding, they rediscovered that politics just is not that simple, and that it may be a…

Feeling the Pinch

ERIC Educational Resources Information Center

Hoffert, Barbara

2010-01-01

America is facing what many have called the worst economic downturn since the Great Depression, with one in ten Americans unemployed. It's no surprise, then, that the 2010 book-buying survey of public libraries is on the dark side. Representing some 100 institutions nationwide distributed equitably by size, type, and location, "LJ"'s annual survey…

School Library Certification Requirements - Phase II

ERIC Educational Resources Information Center

Franklin, Ann Y.

1973-01-01

All states and the District of Columbia were asked for information on revised certification requirements for school librarians or media specialists within each state. The requirements, frequently in the original wording, are reported. (See SLJ p.22, December 1972, LJ p.4043, December 15, 1972, for Phase I.) (5 references) (Author/SM)

The New "LJ" Index

ERIC Educational Resources Information Center

Lance, Keith Curry; Lyons, Ray

2008-01-01

As published critics of Hennen's American Public Library Ratings (HAPLR), the authors propose a new ranking system that focuses more transparently on ranking libraries based on their performance. These annual rankings are intended to contribute to self-evaluation and peer comparison, prompt questions about the statistics and how to improve them,…

Motion Adaptation, its Role in Motion Detection Under Natural Image Conditions and Target Detection

DTIC Science & Technology

2005-06-02

Ibbotson, M.R. & Goodman, L.J. (1990) “Response characteristics of four wide-field motion sensitive descending interneurons in Apis mellifera ,” J. Exp...libraries (in particular a module, PyGame, original designed as an API for computer games applications). Andrew’s contribution to this effort was a

Transverse optic-like modes in binary liquids

NASA Astrophysics Data System (ADS)

Bryk, Taras; Mryglod, Ihor

1999-10-01

Generalized collective mode approach and MD simulations are applied for the study of transverse dynamics in a LJ fluid KrAr and a liquid alloy Mg 70Zn 30. The optic-like excitations, caused by the mass-concentration fluctuations, are found in both mixtures considered. Mode contributions into the total spectral function are investigated.

Bioterrorism Countermeasure Development: Issues in Patents and Homeland Security

DTIC Science & Technology

2005-05-06

314.108(a) 62 See Upjohn Co. v. Kessler, 938 F. Supp. 439 (W.D. Mich. 1996). 63 See Valerie Junod , “Drug Marketing Exclusivity Under United States...Valerie Junod , Drug Marketing Exclusivity Under United States and European Union Law, 59 FOOD & DRUG L.J., 2004, 479. 99 S. 975 at § 331(e

Bioterrorism Countermeasure Development: Issues in Patents and Homeland Security

DTIC Science & Technology

2006-11-27

314.108(a) 62 See Upjohn Co. v. Kessler, 938 F. Supp. 439 (W.D. Mich. 1996). 63 See Valerie Junod , “Drug Marketing Exclusivity Under United...the competitor’s application. See Valerie Junod , Drug Marketing Exclusivity Under United States and European Union Law, 59 FOOD & DRUG L.J., 2004, 479

U.S. EPA, Pesticide Product Label, ROBERT'S "DIOLICE" DAIRY AND BEEF CATTLE DUST BAG, 03/08/1974

EPA Pesticide Factsheets

2011-04-14

, \\ , , \\ I rI.o 0 IT I , ) i\\i S C) f SA I. E " 1 \\) I' S f "''''D H()Rf\\) HY COrIJ1fHII .\\ 1. : I· 1 ... ' , LJ. !. t ,"'1 . '\\ .. I .- . • '4I' . ; , , I, , ,. " 1 . .• -" 1:' V . ,. ~ I . ...

America's Star Libraries

ERIC Educational Resources Information Center

Lyons, Ray; Lance, Keith Curry

2009-01-01

"Library Journal"'s new national rating of public libraries, the "LJ" Index of Public Library Service, identifies 256 "star" libraries. It rates 7,115 public libraries. The top libraries in each group get five, four, or three Michelin guide-like stars. All included libraries, stars or not, can use their scores to learn from their peers and improve…

Lead with Green: Q&A with Louise Schaper

ERIC Educational Resources Information Center

Miller, Rebecca

2010-01-01

When Louise Schaper opened the new Fayetteville Public Library (FPL) in Arkansas in 2004, she brought the state's second LEED Silver-certified building to completion. The green building fulfilled a community expectation for sustainable innovation established through complex public dialog, and the library went on to become the "2005 LJ/Gale Library…

Optimizing Screening and Risk Assessment for Suicice in the U. S. Military

DTIC Science & Technology

2013-09-01

psychosocial status as predictors of suicide in Vietnam veterans. Journal of Nervous and Mental Disease, 178, 32−37. Fawcett, J., Scheftner, W. A., Fogg , L...J., Scheftner, W. A., Fogg , L., Clark, D. C., Young, M. A., Hedeker, D., & Gibbons, R. (1990). Time- related predictors of suicide in major

A Public Health Approach to Injury Prevention: The U.S. Military Experience

DTIC Science & Technology

2010-01-01

Center for Injury Prevention and Control. CDC in- jury research agenda, 2009– 2018 . Atlanta GA: USDHHS, CDC, 2009. http://www.cdc.gov/injury/index.html...secrets. Philadephia PA: Hanley & Belfus, 1994. 20. Micheli LJ. The sports medicine bible . New York: HarperCollins Publishers, 1995. 21. Peterson L

"LJ" Report "Anaheim, ALA 2008": Amid the Fantasy, Doses of Reality

ERIC Educational Resources Information Center

Blumenstein, Lynn; Berry, John; Fialkoff, Francine; Fox, Bette-Lee; Hadro, Josh; Horrocks, Norman; Oder, Norman; Roncevic, Mirela

2008-01-01

If the resort city of Anaheim, California, home of Disneyland and its "imagineers," marked a departure from the urban reality of the typical American Library Association (ALA) annual conference, it was impossible, at this 2008 meeting, to avoid urgent library issues. How do libraries maintain their value and cultural presence as users…

LJ Best of 2009 Business Books: 32 Titles

ERIC Educational Resources Information Center

Cords, Sarah Statz

2010-01-01

It should come as no surprise that a large share of this year's business books focus squarely on the 2008-09 financial crisis and security-backed mortgage implosion. Investing books followed the trend as either alarmist titles advocating selling stocks, or books urging readers to take advantage of this time to buy undervalued investments. An…

LJ's 2010 Budget Survey: Bottoming Out?

ERIC Educational Resources Information Center

Kelley, Michael

2011-01-01

In this article, the author presents the results of "Library Journal's" 2010 budget survey. The overall trend in FY10 indicated that 72 percent of survey respondents said their budget had been cut, and 43 percent had staff cuts. Among libraries serving populations above one million, these figures were even more acute, with 86 percent reporting…

78 FR 65235 - Special Conditions: Learjet Inc., Model LJ-200-1A10 Airplane; Crashworthiness, Emergency Landing...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-31

.... These features are associated with a hybrid construction that uses both composite and metallic materials... wing consists of resin transfer infusion (RTI) skins with composite spars and metallic ribs. The empennage consists of composite sandwich skins with metallic spars and ribs. The airframe has a sandwich...

Best Small Library in America 2010

ERIC Educational Resources Information Center

Berry, John N., III

2010-01-01

This article features Glen Carbon Centennial Library (GCCL), Illinois, which is named "LJ"'s Best Small Library in America 2010. The attitude of doing whatever it takes to encourage every patron to come back permeates GCCL and is the foundation that makes it a model small library. GCCL delivers much "more than one expects." The…

Shifting with the Paradigm: LJ's Picks & Pans for ALA in Disneyland

ERIC Educational Resources Information Center

Berry, John N., III

2008-01-01

The feelings of librarians planning for the American Library Association (ALA) conference at Disneyland (aka Anaheim, California, June 26-July 2) range from moderate pleasure to dread. Some remember the joys and difficulties of Orlando, especially the exorbitant cab fares and mediocre restaurants. Others quail at screaming kids and tourists in…

U.S. EPA, Pesticide Product Label, NACO SEVIN-COPPER 5-6 DUST, 03/19/1968

EPA Pesticide Factsheets

2011-04-14

, • rI. . ~ .' C

Landmine Detection by Nuclear Quadrupole Resonance (NQR)

DTIC Science & Technology

2004-12-01

14N nuclei present in the explosive (Hirshfeld and Klainer, 1980; Grechishkin, 1992; Rowe and Smith, 1996; Garroway et al., 2001; Deas et al., 2002...Mater. Chem., 7 (2), 229-235. Garroway , A.N., Buess, M.L., Miller, J.B., Suits, B.H., Hibbs, A.D., Barrall, G.A., Matthews, R. and Burnett, L.J

Rhesus Monkey - Miss Sam - Fiberglass Couch - Little Joe (LJ)-1B Flight - Prep

NASA Image and Video Library

1959-12-04

B59-00828 (21 Jan. 1959) --- The test subject, a rhesus monkey named Miss Sam, is seen encased in a model of the Mercury fiberglass contour couch. She is being placed in a container for the Little Joe 1B suborbital test flight of the Mercury Capsule. Photo credit: NASA

PROJECT SQUID. Field Survey Report. Volume 1, Part 3. Materials

DTIC Science & Technology

1947-06-30

are thought to deserve consideration as to rfrator meals iththoe otaie~l y tit~kl~~lj materials of construction ,titanium, tungsten, tanta- tion of...provide This is a time.consuming costly process with no guar - the n. (, .d data. antee of achieving optimum results. The determina- tion of the

Book Buying Survey 2009: "It's the Economy"

ERIC Educational Resources Information Center

Hoffert, Barbara

2009-01-01

This article reports on "LJ"'s annual book-buying survey of public libraries in which circulation took the biggest leap recorded since the survey was launched in 1999. This year's whopping 5.16 percent increase overall suggests just how many people are saving pennies by borrowing materials instead of buying them. In fact, libraries are being…

Craig Buthod: Librarian of the Year 2010!

ERIC Educational Resources Information Center

Berry, John N., III

2010-01-01

This article profiles Craig Buthod, director of the Louisville Free Public Library (LFPL) who is named "LJ"'s 2010 Librarian of the Year. An ability to convert setbacks into opportunities is the key to the successful career of Craig Buthod. Buthod possesses a unique combination of optimism, managerial talent, political savvy, and a…

Librarian of the Year 2008: New Jersey State Librarian Norma Blake

ERIC Educational Resources Information Center

Berry, John N., III

2008-01-01

This article profiles "Library Journal's" (LJ) chosen 2008 Librarian of the Year. Librarians and officials in education and government all recount the leadership and creativity brought to library service in New Jersey by State Librarian Norma Blake. She has sparked proactive, collaborative initiatives that have taken libraries of all…

IN VITRO ANDROGENIC ACTIVITY OF KRAFT MILL EFFLUENT IS ASSOCIATED WITH MASCULINIZATION OF FEMALE FISH

EPA Science Inventory

In Vitro Androgenic Activity of Kraft Mill Effluent is Associated with Masculinization of Female Fish. Lambright, CS 1 , Parks, LG 1, Orlando, E 2, Guillette, LJ, Jr.2, Ankley, G 3, Gray, LE, Jr.1 , 1USEPA, NHEERL, RTP, NC, 2 University of Florida, Dept. of Zoology, Gainesville ...

Exact quantum scattering calculation of transport properties for free radicals: OH(X2Π)-helium.

PubMed

Dagdigian, Paul J; Alexander, Millard H

2012-09-07

Transport properties for OH-He are computed through quantum scattering calculations using the ab initio potential energy surfaces determined by Lee et al. [J. Chem. Phys. 113, 5736 (2000)]. To gauge the importance of the open-shell character of OH and the anisotropy of the potential on the transport properties, including the collision integrals Ω((1,1)) and Ω((2,2)), as well as the diffusion coefficient, calculations were performed with the full potential, with the difference potential V(dif) set to zero, and with only the spherical average of the potential. Slight differences (3%-5%) in the computed diffusion coefficient were found between the values obtained using the full potential and the truncated potentials. The computed diffusion coefficients were compared to recent experimental measurements and those computed with a Lennard-Jones (LJ) 12-6 potential. The values obtained with the full potential were slightly higher than the experimental values. The LJ 12-6 potential was found to underestimate the variation in temperature as compared to that obtained using the full OH-He ab initio potential.

Prime Contract Awards of $100,000 or More by Federal Supply Classification or Service Category and Purchasing Office, FY 85. Part 2 (6015 - K084).

DTIC Science & Technology

1985-01-01

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Adsorption behaviors of supercritical Lennard-Jones fluid in slit-like pores.

PubMed

Li, Yingfeng; Cui, Mengqi; Peng, Bo; Qin, Mingde

2018-05-18

Understanding the adsorption behaviors of supercritical fluid in confined space is pivotal for coupling the supercritical technology and the membrane separation technology. Based on grand canonical Monte Carlo simulations, the adsorption behaviors of a Lennard-Jones (LJ) fluid in slit-like pores at reduced temperatures over the critical temperature, T c *  = 1.312, are investigated; and impacts of the wall-fluid interactions, the pore width, and the temperature are taken into account. It is found that even if under supercritical conditions, the LJ fluid can undergo a "vapor-liquid phase transition" in confined space, i.e., the adsorption density undergoes a sudden increase with the bulk density. A greater wall-fluid attractive potential, a smaller pore width, and a lower temperature will bring about a stronger confinement effect. Besides, the adsorption pressure reaches a local minimum when the bulk density equals to a certain value, independent of the wall-fluid potential or pore width. The insights in this work have both practical and theoretical significances. Copyright © 2018 Elsevier Inc. All rights reserved.

On the ordinary quiver of the symmetric group over a field of characteristic 2

NASA Astrophysics Data System (ADS)

Martin, Stuart; Russell, Lee

1997-11-01

Let [fraktur S]n and [fraktur A]n denote the symmetric and alternating groups of degree n[set membership][open face N] respectively. Let p be a prime number and let F be an arbitrary field of characteristic p. We say that a partition of n is p-regular if no p (non-zero) parts of it are equal; otherwise we call it p-singular. Let S[lambda]F denote the Specht module corresponding to [lambda]. For [lambda] a p-regular partition of n let D[lambda]F denote the unique irreducible top factor of S[lambda]F. Denote by [Delta][lambda]F =D[lambda]F [downward arrow][fraktur A]n its restriction to [fraktur A]n. Recall also that, over F, the ordinary quiver of the modular group algebra FG is a finite directed graph defined as follows: the vertices are labelled by the set of all simple FG-modules, L1, [ctdot], Lr, and the number of arrows from Li to Lj equals dimFExtFG(Li, Lj). The quiver gives important information about the block structure of G.

Anomalous vibrational properties in the continuum limit of glasses

NASA Astrophysics Data System (ADS)

Shimada, Masanari; Mizuno, Hideyuki; Ikeda, Atsushi

2018-02-01

The low-temperature thermal properties of glasses are anomalous with respect to those of crystals. These thermal anomalies indicate that the low-frequency vibrational properties of glasses differ from those of crystals. Recent studies revealed that, in the simplest model of glasses, i.e., the harmonic potential system, phonon modes coexist with soft localized modes in the low-frequency (continuum) limit. However, the nature of low-frequency vibrational modes of more realistic models is still controversial. In the present work, we study the Lennard-Jones (LJ) system using large-scale molecular-dynamics (MD) simulation and establish that the vibrational property of the LJ glass converges to coexistence of the phonon modes and the soft localized modes in the continuum limit as in the case of the harmonic potential system. Importantly, we find that the low-frequency vibrations are rather sensitive to the numerical scheme of potential truncation, which is usually implemented in the MD simulation, and this is the reason why contradictory arguments have been reported by previous works. We also discuss the physical origin of this sensitiveness by means of a linear stability analysis.

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

DOE PAGES

Lee, Jumin; Cheng, Xi; Swails, Jason M.; ...

2015-11-12

Here we report that proper treatment of nonbonded interactions is essential for the accuracy of molecular dynamics (MD) simulations, especially in studies of lipid bilayers. The use of the CHARMM36 force field (C36 FF) in different MD simulation programs can result in disagreements with published simulations performed with CHARMM due to differences in the protocols used to treat the long-range and 1-4 nonbonded interactions. In this study, we systematically test the use of the C36 lipid FF in NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM. A wide range of Lennard-Jones (LJ) cutoff schemes and integrator algorithms were tested to find themore » optimal simulation protocol to best match bilayer properties of six lipids with varying acyl chain saturation and head groups. MD simulations of a 1,2-dipalmitoyl-sn-phosphatidylcholine (DPPC) bilayer were used to obtain the optimal protocol for each program. MD simulations with all programs were found to reasonably match the DPPC bilayer properties (surface area per lipid, chain order parameters, and area compressibility modulus) obtained using the standard protocol used in CHARMM as well as from experiments. The optimal simulation protocol was then applied to the other five lipid simulations and resulted in excellent agreement between results from most simulation programs as well as with experimental data. AMBER compared least favorably with the expected membrane properties, which appears to be due to its use of the hard-truncation in the LJ potential versus a force-based switching function used to smooth the LJ potential as it approaches the cutoff distance. The optimal simulation protocol for each program has been implemented in CHARMM-GUI. This protocol is expected to be applicable to the remainder of the additive C36 FF including the proteins, nucleic acids, carbohydrates, and small molecules.« less

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field.

PubMed

Lee, Jumin; Cheng, Xi; Swails, Jason M; Yeom, Min Sun; Eastman, Peter K; Lemkul, Justin A; Wei, Shuai; Buckner, Joshua; Jeong, Jong Cheol; Qi, Yifei; Jo, Sunhwan; Pande, Vijay S; Case, David A; Brooks, Charles L; MacKerell, Alexander D; Klauda, Jeffery B; Im, Wonpil

2016-01-12

Proper treatment of nonbonded interactions is essential for the accuracy of molecular dynamics (MD) simulations, especially in studies of lipid bilayers. The use of the CHARMM36 force field (C36 FF) in different MD simulation programs can result in disagreements with published simulations performed with CHARMM due to differences in the protocols used to treat the long-range and 1-4 nonbonded interactions. In this study, we systematically test the use of the C36 lipid FF in NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM. A wide range of Lennard-Jones (LJ) cutoff schemes and integrator algorithms were tested to find the optimal simulation protocol to best match bilayer properties of six lipids with varying acyl chain saturation and head groups. MD simulations of a 1,2-dipalmitoyl-sn-phosphatidylcholine (DPPC) bilayer were used to obtain the optimal protocol for each program. MD simulations with all programs were found to reasonably match the DPPC bilayer properties (surface area per lipid, chain order parameters, and area compressibility modulus) obtained using the standard protocol used in CHARMM as well as from experiments. The optimal simulation protocol was then applied to the other five lipid simulations and resulted in excellent agreement between results from most simulation programs as well as with experimental data. AMBER compared least favorably with the expected membrane properties, which appears to be due to its use of the hard-truncation in the LJ potential versus a force-based switching function used to smooth the LJ potential as it approaches the cutoff distance. The optimal simulation protocol for each program has been implemented in CHARMM-GUI. This protocol is expected to be applicable to the remainder of the additive C36 FF including the proteins, nucleic acids, carbohydrates, and small molecules.

Thermodynamic scaling of α-relaxation time and viscosity stems from the Johari-Goldstein β-relaxation or the primitive relaxation of the coupling model.

PubMed

Ngai, K L; Habasaki, J; Prevosto, D; Capaccioli, S; Paluch, Marian

2012-07-21

By now it is well established that the structural α-relaxation time, τ(α), of non-associated small molecular and polymeric glass-formers obey thermodynamic scaling. In other words, τ(α) is a function Φ of the product variable, ρ(γ)/T, where ρ is the density and T the temperature. The constant γ as well as the function, τ(α) = Φ(ρ(γ)/T), is material dependent. Actually this dependence of τ(α) on ρ(γ)/T originates from the dependence on the same product variable of the Johari-Goldstein β-relaxation time, τ(β), or the primitive relaxation time, τ(0), of the coupling model. To support this assertion, we give evidences from various sources itemized as follows. (1) The invariance of the relation between τ(α) and τ(β) or τ(0) to widely different combinations of pressure and temperature. (2) Experimental dielectric and viscosity data of glass-forming van der Waals liquids and polymer. (3) Molecular dynamics simulations of binary Lennard-Jones (LJ) models, the Lewis-Wahnström model of ortho-terphenyl, 1,4 polybutadiene, a room temperature ionic liquid, 1-ethyl-3-methylimidazolium nitrate, and a molten salt 2Ca(NO(3))(2)·3KNO(3) (CKN). (4) Both diffusivity and structural relaxation time, as well as the breakdown of Stokes-Einstein relation in CKN obey thermodynamic scaling by ρ(γ)/T with the same γ. (5) In polymers, the chain normal mode relaxation time, τ(N), is another function of ρ(γ)/T with the same γ as segmental relaxation time τ(α). (6) While the data of τ(α) from simulations for the full LJ binary mixture obey very well the thermodynamic scaling, it is strongly violated when the LJ interaction potential is truncated beyond typical inter-particle distance, although in both cases the repulsive pair potentials coincide for some distances.

Excretion into feces of asialo GM1 in the murine digestive tract and Lactobacillus johnsonii exhibiting binding ability toward asialo GM1. A possible role of epithelial glycolipids in the discharge of intestinal bacteria.

PubMed

Iwamori, Masao; Iwamori, Yuriko; Adachi, Shigeki; Nomura, Taisei

2011-01-01

In the digestive tract of mice (HR-1, 5 months old, ♀), asialo GM1 (GA1) exhibiting receptor activity toward several intestinal bacteria was preferentially expressed in the small intestine. Also, less than 10% of GA1 in the small intestine was converted into fucosylated and sulfated derivatives, but it was completely converted to fucosyl GA1 (FGA1) in the stomach, cecum and colon. Among the lipid components in these tissues, glycolipids other than Forssman antigen and cholesterol sulfate (CS) were present in the digestive tract contents. However, sulfated GA1, sulfatide and fucosyl GM1 in the gastro-intestinal contents were not present in the cecal and colonic contents, in which the major glycolipids were ceramide monohexoside (CMH), GA1 and FGA1. The total amount of GA1 in the whole contents was 20% of that in the tissues. Thus, glycolipids were stable during the process of digestion, and excreted from the body together with cholesterol and CS. On the other hand, Lactobacillus johnsonii (LJ), whose receptor is GA1, was detected in the cecal and colonic contents on sequential analysis of 16S-ribosomal RNA and TLC-immunostaining of antigenic glycolipids with anti-LJ antiserum. LJ was found to comprise 20% of the total bacteria cultured in the lactobacillus medium under aerobic conditions, and to be present in the cecal and colonic contents, 9.8 × 10(7) cells versus 37 μg GA1 and 1.4 × 10(8) cells versus 49 μg GA1, respectively. Thus, GA1 in the contents might facilitate the discharge of intestinal bacteria by becoming attached them to prevent their irregular diffusion.

Efficacy of combined or single use of Lactobacillus crispatus LT116 and L. johnsonii LT171 on broiler performance.

PubMed

Taheri, H R; Moravej, H; Tabandeh, F; Zaghari, M; Shivazad, M

2010-10-01

1. The objective of this research was to investigate the efficacy of combined or single use of Lactobacillus crispatus LT116 and Lactobacillus johnsonii LT171 on broiler performance. 2. A total of 320 one-d-old male Ross broiler chicks were allocated in 4 experimental treatments for 6 weeks. The experimental treatments received a maize-soybean meal basal diet that was supplemented as follows: 'control', with no other additions; 'LJ', 1 × 10(6) CFU of L. johnsonii LT171; 'LC', 1 × 10(6) CFU of L. crispatus LT116; and 'LCJ', 0·5 × 10(6) CFU of L. johnsonii LT171 + 0·5 × 10(6) CFU of L. crispatus LT116/g of the diet. A suspension of sheep red blood cells (SRBC) was injected into the breast of 8 birds from each treatment on d 14 and 30, and the antibody titre was measured on d 20, 26, 36 and 42. 3. Body weight was improved when compared with control for broilers fed diets supplemented with LCJ. The feed conversion ratio (FCR) decreased in LC and LCJ groups compared with control. The number of coliforms in the ileum of LJ, LC and LCJ birds was lower than that from the control birds. However, only the LCJ treatment significantly decreased the number of coliforms in the caecum. The LCJ group had greater villus height in the duodenum than the LC group, and both LCJ and LC groups showed increased villus height in the duodenum and jejunum relative to the control. Antibody titre against SRBC was higher for the LCJ group than for the LJ and control groups in terms of secondary immune response (mean of 36 and 42 d). 4. This study showed, compared with the control, that the combination of Lactobacillus spp. could positively affect body weight, coliform numbers in the caecum and immune response.

The role of pressure in rubber elasticity.

PubMed

Bower, A F; Weiner, J H

2004-06-22

We describe a series of molecular dynamics computations that reveal an intimate connection at the atomic scale between difference stress (which resists stretches) and pressure (which resists volume changes) in an idealized elastomer, in contrast to the classical theory of rubber elasticity. Our simulations idealize the elastomer as a "pearl necklace," in which the covalent bonds are stiff linear springs, while nonbonded atoms interact through a Lennard-Jones potential with energy epsilon(LJ) and radius sigma(LJ). We calculate the difference stress t(11)-(t(22)+t(33))/2 and mean stress (t(11)+t(22)+t(33))/3 induced by a constant volume extension in the x(1) direction, as a function of temperature T and reduced density rho(*)=Nsigma(IJ) (3)/nu. Here, N is the number of atoms in the simulation cell and nu is the cell volume. Results show that for rho(*)<1, the difference stress is purely entropic and is in good agreement with the classical affine network model of rubber elasticity, which neglects nonbonded interactions. However, data presented by van Krevelen [Properties of Polymers, 3rd ed. (Elsevier, Amsterdam, 1990), p. 79] indicate that rubber at standard conditions corresponds to rho(*)=1.2. For rho(*)>1, the system is entropic for kT/epsilon(LJ)>2, but at lower temperatures the difference stress contains an additional energy component, which increases as rho(*) increases and temperature decreases. Finally, the model exhibits a glass transition for rho(*)=1.2 and kT/epsilon(LJ) approximately 2. The atomic-scale processes responsible for generating stress are explored in detail. Simulations demonstrate that the repulsive portion of the Lennard-Jones potential provides a contribution sigma(nbr)>0 to the difference stress, the attractive portion provides sigma(nba) approximately 0, while the covalent bonds provide sigma(b)<0. In contrast, their respective contributions to the mean stress satisfy Pi(nbr)<0, Pi(nba)>0, and Pi(b)<0. Analytical calculations, together with simulations, demonstrate that mean and difference stresses are related by sigma(nbr)=-APi(nbr)P(2)(theta(b)), sigma(b)=BPi(b)P(2)(theta(b)), where P(2)(theta(b)) is a measure of the anisotropy of the orientation of the covalent bonds, and A and B are coefficients that depend weakly on rho(*) and temperature. For high values of rho(*), we find that [sigma(nbr)]>[sigma(b)], and in this regime our model predicts behavior that is in good agreement with experimental data of D.L. Quested et al. [J. Appl. Phys. 52, 5977 (1981)] for the influence of pressure on the difference stress induced by stretching solithane. (c) 2004 American Institute of Physics.

Distinctions between manipulation and function knowledge of objects: evidence from functional magnetic resonance imaging.

PubMed

Boronat, Consuelo B; Buxbaum, Laurel J; Coslett, H Branch; Tang, Kathy; Saffran, Eleanor M; Kimberg, Daniel Y; Detre, John A

2005-05-01

A prominent account of conceptual knowledge proposes that information is distributed over visual, tactile, auditory, motor and verbal-declarative attribute domains to the degree to which these features were activated when the knowledge was acquired [D.A. Allport, Distributed memory, modular subsystems and dysphagia, In: S.K. Newman, R. Epstein (Eds.), Current perspectives in dysphagia, Churchill Livingstone, Edinburgh, 1985, pp. 32-60]. A corollary is that when drawing upon this knowledge (e.g., to answer questions), particular aspects of this distributed information is re-activated as a function of the requirements of the task at hand [L.J. Buxbaum, E.M. Saffran, Knowledge of object manipulation and object function: dissociations in apraxic and non-apraxic subjects. Brain and Language, 82 (2002) 179-199; L.J. Buxbaum, T. Veramonti, M.F. Schwartz, Function and manipulation tool knowledge in apraxia: knowing 'what for' but not 'how', Neurocase, 6 (2000) 83-97; W. Simmons, L. Barsalou, The similarity-in-topography principle: Reconciling theories of conceptual deficits, Cognitive Neuropsychology, 20 (2003) 451-486]. This account predicts that answering questions about object manipulation should activate brain regions previously identified as components of the distributed sensory-motor system involved in object use, whereas answering questions about object function (that is, the purpose that it serves) should activate regions identified as components of the systems supporting verbal-declarative features. These predictions were tested in a functional magnetic resonance imaging (fMRI) study in which 15 participants viewed picture or word pairs denoting manipulable objects and determined whether the objects are manipulated similarly (M condition) or serve the same function (F condition). Significantly greater and more extensive activations in the left inferior parietal lobe bordering the intraparietal sulcus were seen in the M condition with pictures and, to a lesser degree, words. These findings are consistent with the known role of this region in skilled object use [K.M. Heilman, L.J. Gonzalez Rothi, Apraxia, In: K.M. Heilman, E. Valenstein (Eds.), Clinical Neuropsychology, Oxford University Press, New York, 1993, pp. 141-150] as well as previous fMRI results [M. Kellenbach, M. Brett, K. Patterson, Actions speak louder than functions: the importance of manipulability and action in tool representation, Journal of Cognitive Neuroscience, 15 (2003) 30-46] and behavioral findings in brain-lesion patients [L.J. Buxbaum, E.M. Saffran, Knowledge of object manipulation and object function: dissociations in apraxic and non-apraxic subjects, Brain and Language, 82 (2002) 179-199]. No brain regions were significantly more activated in the F than M condition. These data suggest that brain regions specialized for sensory-motor function are a critical component of distributed representations of manipulable objects.

Legume genome evolution viewed through the Medicago truncatula and Lotus japonicus genomes

PubMed Central

Cannon, Steven B.; Sterck, Lieven; Rombauts, Stephane; Sato, Shusei; Cheung, Foo; Gouzy, Jérôme; Wang, Xiaohong; Mudge, Joann; Vasdewani, Jayprakash; Schiex, Thomas; Spannagl, Manuel; Monaghan, Erin; Nicholson, Christine; Humphray, Sean J.; Schoof, Heiko; Mayer, Klaus F. X.; Rogers, Jane; Quétier, Francis; Oldroyd, Giles E.; Debellé, Frédéric; Cook, Douglas R.; Retzel, Ernest F.; Roe, Bruce A.; Town, Christopher D.; Tabata, Satoshi; Van de Peer, Yves; Young, Nevin D.

2006-01-01

Genome sequencing of the model legumes, Medicago truncatula and Lotus japonicus, provides an opportunity for large-scale sequence-based comparison of two genomes in the same plant family. Here we report synteny comparisons between these species, including details about chromosome relationships, large-scale synteny blocks, microsynteny within blocks, and genome regions lacking clear correspondence. The Lotus and Medicago genomes share a minimum of 10 large-scale synteny blocks, each with substantial collinearity and frequently extending the length of whole chromosome arms. The proportion of genes syntenic and collinear within each synteny block is relatively homogeneous. Medicago–Lotus comparisons also indicate similar and largely homogeneous gene densities, although gene-containing regions in Mt occupy 20–30% more space than Lj counterparts, primarily because of larger numbers of Mt retrotransposons. Because the interpretation of genome comparisons is complicated by large-scale genome duplications, we describe synteny, synonymous substitutions and phylogenetic analyses to identify and date a probable whole-genome duplication event. There is no direct evidence for any recent large-scale genome duplication in either Medicago or Lotus but instead a duplication predating speciation. Phylogenetic comparisons place this duplication within the Rosid I clade, clearly after the split between legumes and Salicaceae (poplar). PMID:17003129

Photoacoustic Spectroscopy of Chemically Modified Surfaces.

DTIC Science & Technology

1981-08-01

Science.4 In that I 2 paper he told of the accidental discovery of the optoacoustic effect in solids. He observed that a rapidly modulated beam of...0L - -LJ Lii Lnf cobr 0D CDV 214 Figure 17. Photoacoustic spectrum of (I) Co 304 ground with y-alumina and (II) CoO-enhanced cobalt oxide ground with y

U.S. EPA, Pesticide Product Label, FRUIT BUILDER'S FISH OIL PESTICIDE/STICKER-SPREADER, 11/06/1981

EPA Pesticide Factsheets

2011-04-21

... 'E;'<1 .... : f''':.l ':, • 'l I,) ,Ih':i I:, th •. (~"I:"L'd t!:,..rl,;,]nt ~ldge of l)lLJ d·. Jt'icprnt..!It ,)! tll'~ ute of IL) ,) iLl" ·n~, ;)1 Olt I'f" 'I' J.JI!,Jr': .. 'j' .... n (j hi! ...

78 FR 14155 - Special Conditions: Learjet Inc., Model LJ-200-1A10 Airplane; Use of Automatic Power Reserve (APR...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-05

... Automatic Power Reserve (APR), an Automatic Takeoff Thrust Control System (ATTCS), for Go-Around Performance... airplane will have novel or unusual design features associated with utilizing go-around performance credit...: Federal eRegulations Portal: Go to http://www.regulations.gov/ and follow the online instructions for...

America's Star Libraries, 2010: Top-Rated Libraries

ERIC Educational Resources Information Center

Lyons, Ray; Lance, Keith Curry

2010-01-01

The "LJ" Index of Public Library Service 2010, "Library Journal"'s national rating of public libraries, identifies 258 "star" libraries. Created by Ray Lyons and Keith Curry Lance, and based on 2008 data from the IMLS, it rates 7,407 public libraries. The top libraries in each group get five, four, or three stars. All included libraries, stars or…

Early Life Processes, Endocrine Mediators and Number of Susceptible Cells in Relation to Breast Cancer Risk

DTIC Science & Technology

2008-04-01

Clinical physiology in obstetrics. Oxford: Blackwell Scientific Publications; 1980 . p. 43 –78. 15. Rovinsky JJ, Jaffin H. Cardiovascular hemodynamics...Guo H, Martin LJ, Sun L, Stone J, Fishell E, Jong RA, Hislop G, Chiarelli A, Minkin S, Yaffe MJ. Mammographic density and the risk and detection of

Permanent Shift?: Library Budgets 2010

ERIC Educational Resources Information Center

Oder, Norman

2010-01-01

It's no surprise that libraries in "LJ"'s annual budget survey reported an overall downward trend, with the expected decline in total budgets some 2.6% and the change in materials budgets 3.5%. Per capita funding is nudging down after years of steady if sometimes modest increases, with a projected decline of 1.6% in FY10. After all, the country…

America's Star Libraries: Top-Rated Libraries

ERIC Educational Resources Information Center

Lance, Keith Curry; Lyons, Ray

2009-01-01

"Library Journal"'s national rating of public libraries, the "LJ" Index of Public Library Service 2009, Round 2, identifies 258 "star" libraries. Created by Keith Curry Lance and Ray Lyons and based on 2007 data from the IMLS, it rates 7,268 public libraries. The top libraries in each group get five, four, or three stars. All included libraries,…

78 FR 66317 - Special Conditions: Learjet Inc. Model LJ-200-1A10; Airplane Fuselage Post-Crash Fire Survivability

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-05

... feature associated with advanced composite materials in the construction of its fuselage and wings. The... is the first airplane manufactured by Learjet Inc. to utilize advanced composite materials in the... composite materials in the construction of its fuselage and wings. In accordance with Sec. 21.16, fuselage...

U.S. EPA, Pesticides, Label, MAQUAT 2420-CITRUS, 12/16/2010

EPA Pesticide Factsheets

2011-04-13

... 8. i[(AJresh{scjltlti.6:n:··mbst;,~~:prepa.~~d)!(p,repareia;fre~h;i?Q!uJi..QQ)]· atiIEt~§@~II~:orwJ:i~D lLJ~t~J;()II;J!iql'lib~..f~rtf ... 9r trigg~r:~PI~y.~~e:\\fic .. ...

U.S. EPA, Pesticide Product Label, CREOLE BRAND SUPERFINE CONDITIONED DUSTING SULFUR, 02/05/1973

EPA Pesticide Factsheets

2011-04-13

... "~, .11 ihj· 1'., .. f, I,,· ) \\ f 1'1 I' ,t) II \\Hh\\,\\TF1> '1IIf' 1)!I' \\' I'. ,\\!hl \\IIh.l-.\\ '\\lJ ()l'lIlH \\\\.lrlll'\\·1\\ ... i, fl: f: , . I (" I r.., I', r~ 'n . )' t,tf1, r ' ...

LJ Q&A "ALA Candidates": Library Advocacy x 2

ERIC Educational Resources Information Center

Berry, John N., III

2008-01-01

Library advocacy in one of two directions is the top priority of both Camila Alire and J. Linda Williams, the candidates campaigning to capture the 2009-10 term as president of the American Library Association (ALA). Alire, dean emeritus of the libraries of both the University of New Mexico and Colorado State University, will push for enhancements…

LJ Best Consumer Health Books 2010

ERIC Educational Resources Information Center

Bibel, Barbara

2011-01-01

The year 2010 is historic because it marks the passage of a U.S. health-care reform bill as well as midterm elections that sent to Congress people looking to repeal it. Meanwhile, the public is waiting to see what it all means. It also saw the rise of personalized medicine, with genetics and electronic health records promising a more…

Histopathological and Ultrastructural Studies of Liver Tissue from TCDD-Exposed Beach Mice (Peromyscus polionotus).

DTIC Science & Technology

1980-03-01

TQuantitative ultrastructural studies were conducted on liver tissue f ran beach Lj mice, Per~ ascus polionotus, exposed to the toxin 2,3, 7f8...weights per se was not attempted since the ages of the beach mice were not known and the animals could only be classified by sex and treatment. The

From Dimer to Crystal: Calculating the Cohesive Energy of Rare Gas Solids

ERIC Educational Resources Information Center

Halpern, Arthur M.

2012-01-01

An upper-level undergraduate project is described in which students perform high-level ab initio computational scans of the potential energy curves for Ne[subscript 2] and Ar[subscript 2] and obtain the respective Lennard-Jones (LJ) potential parameters [sigma] and [epsilon] for the dimers. Using this information, along with the summation of…

Steven MacCall: Winner of LJ's 2010 Teaching Award

ERIC Educational Resources Information Center

Berry, John N., III

2010-01-01

This article profiles Steven L. MacCall, winner of "Library Journal's" 2010 Teaching Award. An associate professor at the School of Library and Information Studies (SLIS) at the University of Alabama, Tuscaloosa, MacCall was nominated by Kathie Popadin, known as "Kpop" to the members of her cohort in the online MLIS program at SLIS. Sixteen of…

Recommended Amount of Sleep for Pediatric Populations: A Consensus Statement of the American Academy of Sleep Medicine

PubMed Central

Paruthi, Shalini; Brooks, Lee J.; D'Ambrosio, Carolyn; Hall, Wendy A.; Kotagal, Suresh; Lloyd, Robin M.; Malow, Beth A.; Maski, Kiran; Nichols, Cynthia; Quan, Stuart F.; Rosen, Carol L.; Troester, Matthew M.; Wise, Merrill S.

2016-01-01

Sleep is essential for optimal health in children and adolescents. Members of the American Academy of Sleep Medicine developed consensus recommendations for the amount of sleep needed to promote optimal health in children and adolescents using a modified RAND Appropriateness Method. The recommendations are summarized here. A manuscript detailing the conference proceedings and the evidence supporting these recommendations will be published in the Journal of Clinical Sleep Medicine. Citation: Paruthi S, Brooks LJ, D'Ambrosio C, Hall WA, Kotagal S, Lloyd RM, Malow BA, Maski K, Nichols C, Quan SF, Rosen CL, Troester MM, Wise MS. Recommended amount of sleep for pediatric populations: a consensus statement of the American Academy of Sleep Medicine. J Clin Sleep Med 2016;12(6):785–786. PMID:27250809

Air Force Academy Aeronautics Digest, Spring/Summer 1980

DTIC Science & Technology

1980-10-01

transformation matrix developed under the direction cosine method now can be simplified to four 18 USAFA-TR-80-17 equations t (_W " - W " wq W r 2 2...0uE.CZ 25. 03 *.C .00 0.00 15.00 -(.1 ’.I-01 C.C’ 0 IILkiE1 r.C4 .C TH TAO ..700C7 0.7.1 H g-4-8:j � 41S 35.00 0 19 C55 NE -. 68 £-% ’C,- USAFA-TR...4?5. I-TiET4C = FLCAT(I -8) .1.415. 1 T( P, ) TAO SUM = 0.0 0 l~J ZI15 i r4 2 IHETA " FL (AT (J-) *5. TH 0UIi P1 /1 1 Pli = IHLT A-THET 40 A:v 0

Linking surface-fire behavior, stem heating, and tissue necrosis

Treesearch

A.S. Bova; M.B. Dickinson; M.B. Dickinson

2005-01-01

Data from 69 experimental, small-plot fires are used to describe relationships among fire intensity, barksurface heat flux, and depth of necrosis in stem tissue for red maple (Acer rubrum L.) and chestnut oak (Quercus prinus L.j. A tetrazolium staining technique was used to determine the depth of necrosis in tree boles subjected to fires with intensities of 20 to 2000...

The Role of Emotional Intelligence in the Decision to Persist with Academic Studies in HE

ERIC Educational Resources Information Center

Qualter, Pamela; Whiteley, Helen; Morley, Andy; Dudiak, Helen

2009-01-01

Failure to adapt to the demands of higher education (HE) is often cited as a cause of withdrawal from the course. Parker and others (Parker, J.D.A., L.J. Summerfeldt, M.J. Hogan, and S.A. Majeski. 2004. "Emotional intelligence and academic success: Examining the transition from high school to university." "Personality and Individual…

Wind - Ceiling - Visibility Data at Selected Airports. Volume I. New England Region.

DTIC Science & Technology

1981-06-01

Address DOT/Federal Aviation Administration Final Report Office of Aviation Policy and Plans Fina__Repor_ 800 Independence Avenue, S .11. 14. Spoor.ng...LJ ( () Z LflL -z ---[ I - I - I I - oI o 0 0 0 0 o a 0 LO CE . . .l . .i . . . . .i . . .i . . .i Cl- cnCD ...... . . . . . . . U - C; Lii C-); C

Modeling wood properties of planted Loblolly pine from pith to bark and stump to tip

Treesearch

Richard F. Daniels; H.E. Rechun; Alexander Clark; Ray A. Souther

2002-01-01

Variation in wood properties follows identifiable patterns within individual trees of Loblolly pine (Pinus taeda L.j. Wood properties were sampled from disks cut at 1.52 m intervals from 131 mature trees across the natural range of the species. Wood property and mensurational data were used to develop predictive models describing the distribution of...

U.S. EPA, Pesticide Product Label, D.Z.N DIAZINON 50W INSECTICIDE, 04/11/1988

EPA Pesticide Factsheets

2011-04-13

... i\\ll!Jl'i 1'; I flllt:n.lilt ;:)rl,/ 1 It). I: ;Je,:-n ,Ji 1/.1 f):)!) J~'; ,J\\'~' ;1)·;. j')r-:;ldrd (>11 <)[ ,~ J.l1';. ;\\I;,"T l'lT t '/1)" ()II :"'t l()(j '11: ()f 'vI,lt ··r. j , \\j , -10- ...

U.S. EPA, Pesticide Product Label, SUMMER COMFORT COAT SPRAY, 07/08/1971

EPA Pesticide Factsheets

2011-04-19

...

BEA Discoveries 2010: BEA beyond the Buzz

ERIC Educational Resources Information Center

Fox, Bette-Lee; Heilbrun, Margaret; Hoffert, Barbara; Katterjohn, Anna; Kuzyk, Raya; McCormack, Heather; Rogers, Michael; Williams, Wilda

2010-01-01

With the exhibits at New York's Jacob K. Javits Convention Center open just two days, the show floor at this year's BEA was a real free-for-all, with lots of traffic from the moment the doors opened on Wednesday, May 26. But for LJ's review editors, it was worth enduring stubbed toes and rattled nerves to find fresh and interesting titles. In this…

77 FR 5990 - Special Conditions: Learjet Inc., Model LJ-200-1A10 Airplane, Pilot-Compartment View Through...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-02-07

... airflow to maintain a clear-vision area. The heavy rain and high speed conditions specified in the current... to maintain a sufficiently clear area of the windshield in low-speed flight or during surface... airflow disturbance or separation on the windshield could cause failure to maintain a clear-vision area on...

The WRKY Transcription Factor Genes in Lotus japonicus.

PubMed

Song, Hui; Wang, Pengfei; Nan, Zhibiao; Wang, Xingjun

2014-01-01

WRKY transcription factor genes play critical roles in plant growth and development, as well as stress responses. WRKY genes have been examined in various higher plants, but they have not been characterized in Lotus japonicus. The recent release of the L. japonicus whole genome sequence provides an opportunity for a genome wide analysis of WRKY genes in this species. In this study, we identified 61 WRKY genes in the L. japonicus genome. Based on the WRKY protein structure, L. japonicus WRKY (LjWRKY) genes can be classified into three groups (I-III). Investigations of gene copy number and gene clusters indicate that only one gene duplication event occurred on chromosome 4 and no clustered genes were detected on chromosomes 3 or 6. Researchers previously believed that group II and III WRKY domains were derived from the C-terminal WRKY domain of group I. Our results suggest that some WRKY genes in group II originated from the N-terminal domain of group I WRKY genes. Additional evidence to support this hypothesis was obtained by Medicago truncatula WRKY (MtWRKY) protein motif analysis. We found that LjWRKY and MtWRKY group III genes are under purifying selection, suggesting that WRKY genes will become increasingly structured and functionally conserved.

A multiscale quasi-continuum theory to determine thermodynamic properties of fluid mixtures in nanochannels

NASA Astrophysics Data System (ADS)

Motevaselian, Mohammad Hossein; Mashayak, Sikandar Y.; Aluru, Narayana R.

2015-11-01

We present an empirical potential-based quasi-continuum theory (EQT) that seamlessly integrates the interatomic potentials into a continuum framework such as the Nernst-Planck equation. EQT is a simple and fast approach, which provides accurate predictions of potential of mean force (PMF) and density distribution of confined fluids at multiple length-scales, ranging from few Angstroms to macro meters. The EQT potentials can be used to construct the excess free energy functional in the classical density functional theory (cDFT). The combination of EQT and cDFT (EQT-cDFT), allows one to predict the thermodynamic properties of confined fluids. Recently, the EQT-cDFT framework was developed for single component LJ fluids confined in slit-like graphene channels. In this work, we extend the framework to confined LJ fluid mixtures and demonstrate it by simulating a mixture of methane and hydrogen molecules inside slit-like graphene channels. We show that the EQT-cDFT predictions for the structure of the confined fluid mixture compare well with the MD simulations. In addition, our results show that graphene nanochannels exhibit a selective adsorption of methane over hydrogen.

Structure of a tethered polymer under flow using molecular dynamics and hybrid molecular-continuum simulations

NASA Astrophysics Data System (ADS)

Delgado-Buscalioni, Rafael; Coveney, Peter V.

2006-03-01

We analyse the structure of a single polymer tethered to a solid surface undergoing a Couette flow. We study the problem using molecular dynamics (MD) and hybrid MD-continuum simulations, wherein the polymer and the surrounding solvent are treated via standard MD, and the solvent flow farther away from the polymer is solved by continuum fluid dynamics (CFD). The polymer represents a freely jointed chain (FJC) and is modelled by Lennard-Jones (LJ) beads interacting through the FENE potential. The solvent (modelled as a LJ fluid) and a weakly attractive wall are treated at the molecular level. At large shear rates the polymer becomes more elongated than predicted by existing theoretical scaling laws. Also, along the normal-to-wall direction the structure observed for the FJC is, surprisingly, very similar to that predicted for a semiflexible chain. Comparison with previous Brownian dynamics simulations (which exclude both solvent and wall potential) indicates that these effects are due to the polymer-solvent and polymer-wall interactions. The hybrid simulations are in perfect agreement with the MD simulations, showing no trace of finite size effects. Importantly, the extra cost required to couple the MD and CFD domains is negligible.

Freezing of simple systems using density functional theory

NASA Astrophysics Data System (ADS)

de Kuijper, A.; Vos, W. L.; Barrat, J.-L.; Hansen, J.-P.; Schouten, J. A.

1990-10-01

Density functional theory (DFT) has been applied to the study of the fluid-solid transition in systems with realistic potentials (soft cores and attractive forces): the purely repulsive WCA Lennard-Jones reference potential (LJT), the full Lennard-Jones potential (LJ) and the exponential-6 potential appropriate for helium and hydrogen. Three different DFT formalisms were used: the formulation of Haymet and Oxtoby (HO) and the new theories of Denton and Ashcroft (MWDA) and of Baus (MELA). The results for the melting pressure are compared with recent simulation and experimental data. The results of the HO version are always too high, the deviation increasing when going from the repulsive Lennard-Jones to the exponential-6 potential of H2. The MWDA gives too low results for the repulsive Lennard-Jones potential. At low temperatures, it fails for the full LJ potential while at high temperatures it is in good agreement. Including the attraction as a mean-field correction gives good results also for low temperatures. The MWDA results are too high for the exponential-6 potentials. The MELA fails completely for the LJT potential and the hydrogen exponential-6 potential, since it does not give a stable solid phase.

Electron-ion collision spectroscopy: Lithium-like xenon ions

NASA Astrophysics Data System (ADS)

Bernhardt, D.; Brandau, C.; Harman, Z.; Kozhuharov, C.; Böhm, S.; Bosch, F.; Fritzsche, S.; Jacobi, J.; Kieslich, S.; Knopp, H.; Nolden, F.; Shi, W.; Stachura, Z.; Steck, M.; Stöhlker, Th.; Schippers, S.; Müller, A.

2015-01-01

The resonant process of dielectronic recombination (DR) has been applied as a spectroscopic tool to investigate intra-L -shell excitations 2 s -2 pj in Li-like 136Xe51+ . The experiments were carried out at the electron cooler of the Experimental Storage Ring of the GSI-Helmholtzzentrum für Schwerionenforschung, Darmstadt, Germany. The observed center-of-mass energy range (0-505 eV) covers all resonances associated with the 2 s +e-→(2p1/2n lj) J and (2p3/2n lj) J DR processes. Energies and strengths of isolated 2 p1 /2n and 2 p3 /2n DR-resonance groups were obtained for principal quantum numbers n up to 43 and 36, respectively. The 2 s -2 p1 /2 and 2 s -2 p3 /2 excitation energies were deduced to be 119.816(42) eV and 492.174(52) eV. The excitation energies are compared with previous measurements of other groups and with recent QED calculations. In addition, the experimental spectra and extracted resonance strengths are compared with multiconfiguration Dirac-Fock calculations. Measurements and theory are found to be in good agreement with each other.

Molecular Modeling of Three Phase Contact for Static and Dynamic Contact Angle Phenomena

NASA Astrophysics Data System (ADS)

Malani, Ateeque; Amat, Miguel; Raghavanpillai, Anilkumar; Wysong, Ernest; Rutledge, Gregory

2012-02-01

Interfacial phenomena arise in a number of industrially important situations, such as repellency of liquids on surfaces, condensation, etc. In designing materials for such applications, the key component is their wetting behavior, which is characterized by three-phase static and dynamic contact angle phenomena. Molecular modeling has the potential to provide basic insight into the detailed picture of the three-phase contact line resolved on the sub-nanometer scale which is essential for the success of these materials. We have proposed a computational strategy to study three-phase contact phenomena, where buoyancy of a solid rod or particle is studied in a planar liquid film. The contact angle is readily evaluated by measuring the position of solid and liquid interfaces. As proof of concept, the methodology has been validated extensively using a simple Lennard-Jones (LJ) fluid in contact with an LJ surface. In the dynamic contact angle analysis, the evolution of contact angle as a function of force applied to the rod or particle is characterized by the pinning and slipping of the three phase contact line. Ultimately, complete wetting or de-wetting is observed, allowing molecular level characterization of the contact angle hysteresis.

Legacy System Engineering, VPERC Consortium

DTIC Science & Technology

2009-09-01

REPORT Legacy System Engineering, VPERC Consortium, Final Report, University of Utah for Work Ending Joly 15, 2009. 14. ABSTRACT 16. SECURITY...Engineering, VPERC Consortium, Final Report, University of Utah for Work Ending Joly 15, 2009. Report Title ABSTRACT This paper is one of three...Sons, 1995. [3] Turner MJ, Clough RW, Martin HC, Topp LJ. “Stiffness and deflection analysis of complex structures.” Journal of the Aeronautical

Zero shot Event Detection using Multi modal Fusion of Weakly Supervised Concepts (Open Access)

DTIC Science & Technology

2014-09-25

I. Laptev. On space-time interest points. IJCV, 64(2-3):107– 123, 2005. [21] L.-J. Li, H. Su, E . Xing, and L. Fei-Fei. Object bank: A high-level image...invariant keypoints. IJCV, 60:91–110, 2004. [23] P. Natarajan, S. Wu, S. N. P. Vitaladevuni, X. Zhuang, S. Tsakalidis , U. Park, R. Prasad, and P

Development of an Advanced, Automatic, Ultrasonic NDE Imaging System via Adaptive Learning Network Signal Processing Techniques

DTIC Science & Technology

1981-03-13

UNCLASSIFIED SECURITY CLAS,:FtfC ’i OF TH*!’ AGC W~ct P- A* 7~9r1) 0. ABSTRACT (continued) onuing in concert with a sophisticated detector has...and New York, 1969. Whalen, M.F., L.J. O’Brien, and A.N. Mucciardi, "Application of Adaptive Learning Netowrks for the Characterization of Two

Proceedings of the 2011 AFMS Medical Research Symposium. Volume 5. Operational Medicine (In-Garrison Care) Track

DTIC Science & Technology

2012-02-01

Tl’aMfer II’MU iW! Bf" Air’IAAty H.arwlover "• porn nblt Btdfid! Y&bfl RnMt lj!eeCiqs roilive Aid! SitturtiM Backc round(History...50 Prevention of Low Back Pain in the Military (POLM) cluster randomized trial US Army-Baylor University Lt Col John Childs , Associate Professor

Doing New Things in Old Ways

DTIC Science & Technology

1983-05-01

is missing from the educational and organizational literatures are I equally detailed depictions of socialization designed (whether consciously or not...block number) Socialization Role taking CL--’ Cut Iure Managerial education CD,’ Culture of orientation C.. Skill acquisition SL.i 20 ABSTRACT (Continue...on reveree side if necseesry mid Identify by block number) --- "esearch in organizational socialization is typically more concerned with settir s Lj

Atypical Depression, Body Mass, and Left Ventricular Mass: Analysis of Data from CARDIA

DTIC Science & Technology

2005-01-01

The other symptoms include: insomnia or hypersomnia , significant increase or decrease in appetite or weight, psychomotor agitation or retardation...symptoms: overeating (hyperphagia), oversleeping ( hypersomnia ), “leaden paralysis,” and interpersonal rejection sensitivity. Research aimed at testing the...implications for idiopathic dilated cardiomyopathy. Psychiatry Res, 32(1), 55-61. Kendler, K.S., Eaves, L.J., Walters, E.E., Neale, M.C., Heath

News of the Year. LJ News Report: Looking Back, Looking Ahead; Facing the Challenges of a New Era in School Librarianship; Publishing in 2001: Shake-Outs, Downsizing, and E-Book Disappointments.

ERIC Educational Resources Information Center

Berry, John; Bryant, Eric; Rogers, Michael; Albanese, Andrew; Oder, Norman; Selverstone, Harriet; Milliot, Jim

2002-01-01

Includes three reports: one from "Library Journal" that reviews significant issues of the year, including budget reversals; Internet filtering, digital copyright, distance education, and electronic books; one that discusses school librarianship, including staffing, collection development, and information literacy; and one that discusses…

News of the Year. LJ News Report: Victories Muted by Money Worries; The Year in K-12 Libraries: School Librarians Redefine Themselves; Publishing in 2002: Few Trends Emerge from a Year of Ups and Downs.

ERIC Educational Resources Information Center

Minkel, Walter; Milliot, Jim

2003-01-01

Includes three articles: one reviews top stories from "Library Journal" regarding budget problems, salaries and recruitment, privacy, legal issues, virtual reference, electronic books, distance education, special libraries, and scholarly innovation; one discusses school library issues, including layoffs, Internet concerns, and…

Systematic Characterization of the Molecular Mechanisms That Regulate and Mediate Alternative Lengthening of Telomeres in Breast Carcinoma

DTIC Science & Technology

2013-04-01

2009). 14. L. J. Ng, J. E. Cropley , H. A. Pickett, R. R. Reddel, C. M. Suter, Telomerase activity is associated with an increase in DNA methylation...bodies. Proc Natl Acad Sci U S A 100: 10635–10640. 38. Ng LJ, Cropley JE, Pickett HA, Reddel RR, Suter CM (2009) Telomerase activity is associated with an

Carbon exchanges and their responses to temperature and precipitation in forest ecosystems in Yunnan, Southwest China.

PubMed

Fei, Xuehai; Song, Qinghai; Zhang, Yiping; Liu, Yuntong; Sha, Liqing; Yu, Guirui; Zhang, Leiming; Duan, Changqun; Deng, Yun; Wu, Chuansheng; Lu, Zhiyun; Luo, Kang; Chen, Aiguo; Xu, Kun; Liu, Weiwei; Huang, Hua; Jin, Yanqiang; Zhou, Ruiwu; Li, Jing; Lin, Youxing; Zhou, Liguo; Fu, Yane; Bai, Xiaolong; Tang, Xianhui; Gao, Jinbo; Zhou, Wenjun; Grace, John

2018-03-01

Forest ecosystems play an increasingly important role in the global carbon cycle. However, knowledge on carbon exchanges, their spatio-temporal patterns, and the extent of the key controls that affect carbon fluxes is lacking. In this study, we employed 29-site-years of eddy covariance data to observe the state, spatio-temporal variations and climate sensitivity of carbon fluxes (gross primary productivity (GPP), ecosystem respiration (R eco ), and net ecosystem carbon exchange (NEE)) in four representative forest ecosystems in Yunnan. We found that 1) all four forest ecosystems were carbon sinks (the average NEE was -3.40tCha -1 yr -1 ); 2) contrasting seasonality of the NEE among the ecosystems with a carbon sink mainly during the wet season in the Yuanjiang savanna ecosystem (YJ) but during the dry season in the Xishuangbanna tropical rainforest ecosystem (XSBN), besides an equivalent NEE uptake was observed during the wet/dry season in the Ailaoshan subtropical evergreen broad-leaved forest ecosystem (ALS) and Lijiang subalpine coniferous forest ecosystem (LJ); 3) as the GPP increased, the net ecosystem production (NEP) first increased and then decreased when the GPP>17.5tCha -1 yr -1 ; 4) the precipitation determines the carbon sinks in the savanna ecosystem (e.g., YJ), while temperature did so in the tropical forest ecosystem (e.g., XSBN); 5) overall, under the circumstances of warming and decreased precipitation, the carbon sink might decrease in the YJ but maybe increase in the ALS and LJ, while future strength of the sink in the XSBN is somewhat uncertain. However, based on the redundancy analysis, the temperature and precipitation combined together explained 39.7%, 32.2%, 25.3%, and 29.6% of the variations in the NEE in the YJ, XSBN, ALS and LJ, respectively, which indicates that considerable changes in the NEE could not be explained by variations in the temperature and precipitation. Therefore, the effects of other factors (e.g., CO 2 concentration, N/P deposition, aerosol and other variables) on the NEE still require extensive research and need to be considered seriously in carbon-cycle-models. Copyright © 2017. Published by Elsevier B.V.

Cross-Protective Efficacy of Recombinant Transferrin-Binding Protein A of Haemophilus parasuis in Guinea Pigs

PubMed Central

Huang, Xiaohui; Li, Yu; Fu, Yuguang; Ji, Yanhong; Lian, Kaiqi; Zheng, Haixue; Wei, Jianzhong; Cai, Xuepeng

2013-01-01

The causative agent of Glasser's disease in swine is Haemophilus parasuis. Commercial bacterins are widely used for protection of the swine population. However, cross protection is limited because H. parasuis has more than 15 serovars. Transferrin-binding protein A has shown potential as a broad-spectrum vaccine candidate against homologous and heterologous strains. Here we amplified the full-length tbpA gene from an H. parasuis serovar 13 isolate and cloned it into a pET-SUMO expression vector. We then expressed and purified the TbpA protein by Ni affinity chromatography. First, the immunogenicity and protective efficacy of the protein were evaluated in guinea pigs by two subcutaneous immunizations with different doses of Montanide IMS 206 VG adjuvant. The immunized guinea pigs were, respectively, challenged on week 3 after a booster immunization with homologous strain LJ3 (serovar 13) and heterologous strain FX1 (serovar 4), and vaccine-inoculated groups were compared with nonvaccinated controls. All immunized groups showed serum antibody titers higher than those of negative-control groups. Furthermore, the cytokine and chemokine levels were evaluated at the transcriptional level by the real-time PCR analysis of six cytokines and chemokines. Gamma interferon and interleukin-5 in groups immunized with 100 μg were elevated more than 15-fold over those in negative-control groups. The protection rates were 80 and 60% after a challenge with strains LJ3 and FX1, respectively, in the groups vaccinated with 100 μg of recombinant TbpA protein. Subsequently, the data showed that guinea pigs immunized with a single dose (100 μg) were protected at levels of 80, 80, and 60% against LJ3, FX1, and another heterologous strain, SZ (serovar 14), respectively. The results indicate for the first time that TbpA protein cross protects guinea pigs against serovars 13, 4, and 14 of H. parasuis. Taken together, these results suggest that the recombinant TbpA protein is a promising vaccine candidate that needs to be confirmed in a swine population. PMID:23616407

Accuracy of different Xpert MTB/Rif implementation strategies in programmatic settings at the regional referral hospitals in Uganda: Evidence for country wide roll out.

PubMed

Muttamba, Winters; Ssengooba, Willy; Sekibira, Rogers; Kirenga, Bruce; Katamba, Achilles; Joloba, Moses

2018-01-01

Xpert MTB/RIF assay is a highly sensitive test for TB diagnosis, but still costly to most low-income countries. Several implementation strategies instead of frontline have been suggested; however with scarce data. We assessed accuracy of different Xpert MTB/RIF implementation strategies to inform national roll-out. This was a cross-sectional study of 1,924 adult presumptive TB patients in five regional referral hospitals of Uganda. Two sputum samples were collected, one for fluorescent microscopy (FM) and Xpert MTB/RIF examined at the study site laboratories. The second sample was sent to the Uganda Supra National TB reference laboratory for culture using both Lowenstein Jensen (LJ) and liquid culture (MGIT). We compared the sensitivities of FM, Xpert MTB/RIF and the incremental sensitivity of Xpert MTB/RIF among patients negative on FM using LJ and/or MGIT as a reference standard. A total 1924 patients were enrolled of which 1596 (83%) patients had at least one laboratory result and 1083 respondents had a complete set of all the laboratory results. A total of 328 (30%) were TB positive on LJ and /or MGIT culture. The sensitivity of FM was n (%; 95% confidence interval) 246 (63.5%; 57.9-68.7) overall compared to 52 (55.4%; 44.1-66.3) among HIV positive individuals, while the sensitivity of Xpert MTB/RIF was 300 (76.2%; 71.7-80.7) and 69 (71.6%; 60.5-81.1) overall and among HIV positive individuals respectively. Overall incremental sensitivity of Xpert MTB/RIF was 60 (36.5%; 27.7-46.0) and 20 (41.7%; 25.5-59.2) among HIV positive individuals. Xpert MTB/RIF has a higher sensitivity than FM both in general population and HIV positive population. Xpert MTB/RIF offers a significant increase in terms of diagnostic sensitivity even when it is deployed selectively i.e. among smear negative presumptive TB patients. Our results support frontline use of Xpert MTB/RIF assay in high HIV/TB prevalent countries. In settings with limited access, mechanisms to refer smear negative sputum samples to Xpert MTB/RIF hubs are recommended.

A Field Evaluation of the Hardy TB MODS Kit™ for the Rapid Phenotypic Diagnosis of Tuberculosis and Multi-Drug Resistant Tuberculosis

PubMed Central

Martin, Laura; Coronel, Jorge; Faulx, Dunia; Valdez, Melissa; Metzler, Mutsumi; Crudder, Chris; Castillo, Edith; Caviedes, Luz; Grandjean, Louis; Rodriguez, Mitzi; Friedland, Jon S.; Gilman, Robert H.; Moore, David A. J.

2014-01-01

Background Even though the WHO-endorsed, non-commercial MODS assay offers rapid, reliable TB liquid culture and phenotypic drug susceptibility testing (DST) at lower cost than any other diagnostic, uptake has been patchy. In part this reflects misperceptions about in-house assay quality assurance, but user convenience of one-stop procurement is also important. A commercial MODS kit was developed by Hardy Diagnostics (Santa Maria, CA, USA) with PATH (Seattle, WA, USA) to facilitate procurement, simplify procedures through readymade media, and enhance safety with a sealing silicone plate lid. Here we report the results from a large-scale field evaluation of the MODS kit in a government service laboratory. Methods & Findings 2446 sputum samples were cultured in parallel in Lowenstein-Jensen (LJ), conventional MODS and in the MODS kit. MODS kit DST was compared with conventional MODS (direct) DST and proportion method (indirect) DST. 778 samples (31.8%) were Mycobacterium tuberculosis culture-positive. Compared to conventional MODS the sensitivity, specificity, positive, and negative predictive values (95% confidence intervals) of the MODS Kit were 99.3% (98.3–99.8%), 98.3% (97.5–98.8%), 95.8% (94.0–97.1%), and 99.7% (99.3–99.9%). Median (interquartile ranges) time to culture-positivity (and rifampicin and isoniazid DST) was 10 (9–13) days for conventional MODS and 8.5 (7–11) for MODS Kit (p<0.01). Direct rifampicin and isoniazid DST in MODS kit was almost universally concordant with conventional MODS (97.9% agreement, 665/679 evaluable samples) and reference indirect DST (97.9% agreement, 687/702 evaluable samples). Conclusions MODS kit delivers performance indistinguishable from conventional MODS and offers a convenient, affordable alternative with enhanced safety from the sealing silicone lid. The availability in the marketplace of this platform, which conforms to European standards (CE-marked), readily repurposed for second-line DST in the near future, provides a fresh opportunity for improving equity of access to TB diagnosis and first and second-line DST in settings where the need is greatest. PMID:25225802

Revised Uniform Summary of Surface Weather Observations (RUSSWO) for Fairchild AFB, Spokane, Washington. Parts A-F

DTIC Science & Technology

1979-12-21

tham ".05" percent. C ~Values for means and standard deviations do not include measurements from iricompletz months, 744MIS ONION GLOBAL CLIMATOLOGY...DryNb 254711 !899 7 ’. I 3 926 .30 93 We, Bulb 1884921 4151 44!. 926 93 Dov, Porn , 1323591 3I491 37?2 6.48 926 22.2 93. - ~ P &LJ3AL CLIMATOLOGY

Consolidation of Fe-N Magnets Using Equal Channel Angular Extrusion

DTIC Science & Technology

2016-03-23

Consolidation of Fe-N Magnets Using Equal Channel Angular Extrusion SG Sankar Advanced Materials Corporation (AMC), Pittsburgh, PA LJ Kecskes Weapons and...at the US Army Research Laboratory (ARL), Weapons and Materials Research Directorate, at Aberdeen Proving Ground, Maryland. Unlike conventional...Widenmeyer M, Hansen TC, Niewa R. Formation and decomposition of metastable α’’-Fe16N2 from in-situ powder neutron diffraction and thermal analysis. Zeit

Syntax, Semantics, and Speech

DTIC Science & Technology

1975-04-01

D.R. Reddy (ed.), Academic Press (1975). \\h \\ i: LJ r- I. I. 0 i bbN Heport No. 3067 bolt Beranek and Newman Ine S. mm he directi...context is tne type ^ at trie ielt -nanu gie nonterrainai nonempty string pe 3 grammars, more restricted u in generative cnaracterized by 1...Collins, A. (eds.) Academic Press, (in press [23] wewell , A. et al . ( 1973) Speech Understanoing Systems: tlinal heport of a Study Group. North

Toxic Hazards Research Unit Annual Report: 1986

DTIC Science & Technology

1987-04-01

ileum-duodenum mandibular and mesenteric lymph nodes bone (sternum and both femurs) pancreas urinary bladder thyroid brain salivary glands lungs...Woodside, E.R. Kinkead, J.M. King, and L.J. Sullivan. 1971. Response of dogs to repeated intravenous injections of propylene glycol 4000 with notes on...Van Abbe. 1979. Safety evaluation of toothpaste containing chloroform. 1II. Long term studies in beagle dogs . J. Environ. Pathol. Toxicol. 2:835-851

U.S. EPA, Pesticide Product Label, 2, NITRO-2-ETHYL-1, 3-PROPANEDIOL, 03/19/1969

EPA Pesticide Factsheets

2011-04-13

... ( 1,1,') c.;. II v ,> U .... · 1 jul ey , '. ,J • I'll L 1'1Il i, 'iiJG, SIP, • (lS) J. L. Ril~U:~UIliL't', J. Ot'g. CI,,·iil. g, lH2-U:i'1 (L'j'iu). (L7) V 1 •• 1 . • lJ.:->. J 1 I r <;. ...

Hybrid Robust Multi-Objective Evolutionary Optimization Algorithm

DTIC Science & Technology

2009-03-10

pp. 594-606. 8. Inverse Approaches to Drying of Thin Bodies With Significant Shrinkage Effects (with G. H. Kanevce, L. P. Kanevce, V. B. Mitrevski ...Kanevce, L. Kanevce, V. Mitrevski ), ICCES󈧌: International Conference on Computational & Experimental Engineering and Sciences, Honolulu, Hawaii, March 17...Miami Beach, FL, April 16-18, 2007. 16. Inverse Approaches to Drying of Sliced Foods (with Kanevce, G. H., Kanevce, Lj. P., and Mitrevski , V. B

Central diffractive resonance production at the LHC

NASA Astrophysics Data System (ADS)

Fiore, Roberto; Jenkovszky, Laszlo; Schicker, Rainer

2016-07-01

Central production of resonances resulting from the scattering of Pomerons in the central rapidity region of proton-proton scattering is studied. Estimates for relevant cross sections are presented. L.J. gratefully acknowledges an EMMI visiting Professorship at the University of Heidelberg for completion of this work. He is grateful to the organizers of this meeting for their hospitality and support. His work was supported also by DOMUS, Hungarian Academy of Sciences

Automatic Omega Station and LOP (Line of Position) Selection,

DTIC Science & Technology

1987-09-01

LL- jAj C) LJ b- I- I LL I-0 a- 5~52 3.2.2 SOLAR EFFECTS The sun effects Omega modal interference in several significant ways. Firstly the effect...nx(n+l) TD and F are 2x(n+l) -67- %..T C ..4 . (43). a -Je MT Therefore to form BTH requires 4n multiplies and (H TH)- 1 requires 6 multiplies and

PLA Pleases Vendors with Steady Show Floor Traffic; Jubilant Exhibitors Report Greatly Improved Traffic and Leads over Disappointing Midwinter Meeting

ERIC Educational Resources Information Center

Rogers, Michael

2004-01-01

The Public Library Association (PLA) Conference, Seattle, February 24?28, relieved much of the sting felt by vendors who had exhibited at the American Library Association (ALA) Midwinter Meeting in San Diego (InfoTech, LJ 2/15/04 , p. 27ff.). In stark contrast to ALA, which suffered from some of the slowest floor traffic in recent memory,…

First Spectroscopic Identification of Pyrocarbonate for High CO2 Flux Membranes Containing Highly Interconnected Three Dimensional Ionic Channels

DTIC Science & Technology

2013-01-01

Koura, S. Kohara , K. Takeuchi, S. Takahashi, L. A. Curtiss, M. Grimsditch and M.-L. Saboungi, J. Mol. Struct., 1996, 382, 163–169. 49 L.-J. Chen, X...Cheng, C.-J. Lin and C.-M. Huang, Electrochim. Acta, 2002, 47, 1475–1480. 50 S. Kohara , N. Koura, Y. Idemoto, S. Takahashi, M.-L. Saboungi and L. A

The Mechanisms and Effects of the Plant Activation of Chemicals in the Environment

DTIC Science & Technology

1990-04-09

SEC a . 5 S- 5 , " - lJ 0, , O.7PMoR DOCUMENTATION PAGE 11110 Io QESTQ.C71 E MAOA N%3S ANone 3 O.STRIBuTIONAVALLABS iTV Cr REPOR AD-A221 49 c. ?QWT...a power failure, other studies have shown this to be true. In terms of the mechanism of activation, this suggests that two different genes may be

Incorporating Model Parameter Uncertainty into Prostate IMRT Treatment Planning

DTIC Science & Technology

2005-04-01

HD HJ. Fractionation in radiotherapy. London: Taylor & Francis, 1987. 8. Withers HR. Biologic basis for altered fractionation schemes. Cancer 1985; 55...of combined agent regimens. Int J Radiat Biol 1990; 57: 709-722. 15. Thames HD , Jr., Withers HR, Peters LJ, Fletcher GH. Changes in early and late...Oncology, Biology, Physics 2001; 50: 551-560. 30. Turesson I, Thames HD . Repair capacity and kinetics of human skin during fractionated radiotherapy

Estimation in Latent Trait Models.

DTIC Science & Technology

1981-05-01

by k (V+l)t 21 jg=6 k (V+l) t22 j 2 _ B1 2 • 13 where 2 + (V) (\\+1) jl E( j ) (3.12) and j2 +) ( +i)) j2~l = E(B !iY,t ,v ) (3.13) 2 (V+l)2 (V M Step...Charles Myers Library Livingstone House 1 ERIC Facility-Acquisitions Livingstone Road 4833 Rugby Avenue Stratford Bethesda, MD 20014 London E15 2LJ

JPRS Report, West Europe: Reference Aid, Swedish-English Glossary of Military and Technical Acronyms and Abbreviations.

DTIC Science & Technology

1988-07-22

Pi plansch Pi plats PlottL plottingledare plufs planerings- och uppfölj ningssystem plut pluton plutch plutonschef plutstab plutonstab...äsbandvagn pvrb pansarvärnsrobot pvrbplut pansarvärnsrobot pluton anti-tank gun anti-tank gun anti-tank gun tank destroyer, SP anti-tank gun...tpl transportledare tplut tung pluton tpmedel transportmedel type of transportation schedule, roster regulating officer heavy weapons

DIVWAG Model Documentation. Volume I. Executive Summary.

DTIC Science & Technology

1976-07-01

Director : umat ELECTE M7 _J =, be=, MA 17 198 LJ~~ft ubbe releaa. =d owe;. 1W Lo "’I82 ? 17 125 L . . . .. ... . . -. . . ... . .... . . t... damage radius values. Assess- ments were negligible until the discrepancy was rectified, after which the assessment portion functioned properly. (c) The...of these models assesses damage inflicted and produces loss, expenditure rate, and consumption data for use in evaluating the supply and

The Analysis of Nominal Compounds,

DTIC Science & Technology

1985-12-01

34Phenomenologically plausible parsing" in Proceedings of the 1984 American Association for Aritificial Intelligence Conference, pp. 335-339. 27 Wilensky, R...34December, 1985 - CPTM #8 LJ _DTIC -5ELECTE’ DEC 1 6 198M This series of internal memos describes research in E artificial intelligence conducted under...representational techniques for natural language that have evolved in linguistics and artificial intelligence , it is difficult to find much uniformity in the

’Marine’ Character of the United States Marine Band

DTIC Science & Technology

2008-04-01

Classical Music Hall ofFame on May 24, 1998.14 In celebration of 200 years of service to our country and the Corps, the Marine Band was received as the guest...Saxophones LJ Cellos iH Guitar i Y Bassoons H Harp y Vocalists 1 31 AppendixE Current U.S. Marine Band Fitness Report « z o t3 ill en U.S. Marine Band FITNESS

Genome-Wide Association Mapping for Intelligence in Military Working Dogs: Canine Cohort, Canine Intelligence Assessment Regimen, Genome-Wide Single Nucleotide Polymorphism (SNP) Typing, and Unsupervised Classification Algorithm for Genome-Wide Association Data Analysis

DTIC Science & Technology

2011-09-01

Almasy, L, Blangero, J. (2009) Human QTL linkage mapping. Genetica 136:333-340. Amos, CI. (2007) Successful design and conduct of genome-wide...quantitative trait loci. Genetica 136:237-243. Skol AD, Scott LJ, Abecasis GR, Boehnke M. (2006) Joint analysis is more efficient than replication

The WRKY Transcription Factor Genes in Lotus japonicus

PubMed Central

Wang, Pengfei; Wang, Xingjun

2014-01-01

WRKY transcription factor genes play critical roles in plant growth and development, as well as stress responses. WRKY genes have been examined in various higher plants, but they have not been characterized in Lotus japonicus. The recent release of the L. japonicus whole genome sequence provides an opportunity for a genome wide analysis of WRKY genes in this species. In this study, we identified 61 WRKY genes in the L. japonicus genome. Based on the WRKY protein structure, L. japonicus WRKY (LjWRKY) genes can be classified into three groups (I–III). Investigations of gene copy number and gene clusters indicate that only one gene duplication event occurred on chromosome 4 and no clustered genes were detected on chromosomes 3 or 6. Researchers previously believed that group II and III WRKY domains were derived from the C-terminal WRKY domain of group I. Our results suggest that some WRKY genes in group II originated from the N-terminal domain of group I WRKY genes. Additional evidence to support this hypothesis was obtained by Medicago truncatula WRKY (MtWRKY) protein motif analysis. We found that LjWRKY and MtWRKY group III genes are under purifying selection, suggesting that WRKY genes will become increasingly structured and functionally conserved. PMID:24745006

Direct construction of mesoscopic models from microscopic simulations

NASA Astrophysics Data System (ADS)

Lei, Huan; Caswell, Bruce; Karniadakis, George Em

2010-02-01

Starting from microscopic molecular-dynamics (MD) simulations of constrained Lennard-Jones (LJ) clusters (with constant radius of gyration Rg ), we construct two mesoscopic models [Langevin dynamics and dissipative particle dynamics (DPD)] by coarse graining the LJ clusters into single particles. Both static and dynamic properties of the coarse-grained models are investigated and compared with the MD results. The effective mean force field is computed as a function of the intercluster distance, and the corresponding potential scales linearly with the number of particles per cluster and the temperature. We verify that the mean force field can reproduce the equation of state of the atomistic systems within a wide density range but the radial distribution function only within the dilute and the semidilute regime. The friction force coefficients for both models are computed directly from the time-correlation function of the random force field of the microscopic system. For high density or a large cluster size the friction force is overestimated and the diffusivity underestimated due to the omission of many-body effects as a result of the assumed pairwise form of the coarse-grained force field. When the many-body effect is not as pronounced (e.g., smaller Rg or semidilute system), the DPD model can reproduce the dynamic properties of the MD system.

nth-Nearest-neighbor distribution functions of an interacting fluid from the pair correlation function: a hierarchical approach.

PubMed

Bhattacharjee, Biplab

2003-04-01

The paper presents a general formalism for the nth-nearest-neighbor distribution (NND) of identical interacting particles in a fluid confined in a nu-dimensional space. The nth-NND functions, W(n,r) (for n=1,2,3, em leader) in a fluid are obtained hierarchically in terms of the pair correlation function and W(n-1,r) alone. The radial distribution function (RDF) profiles obtained from the molecular dynamics (MD) simulation of Lennard-Jones (LJ) fluid is used to illustrate the results. It is demonstrated that the collective structural information contained in the maxima and minima of the RDF profiles being resolved in terms of individual NND functions may provide more insights about the microscopic neighborhood structure around a reference particle in a fluid. Representative comparison between the results obtained from the formalism and the MD simulation data shows good agreement. Apart from the quantities such as nth-NND functions and nth-nearest-neighbor distances, the average neighbor population number is defined. These quantities are evaluated for the LJ model system and interesting density dependence of the microscopic neighborhood shell structures are discussed in terms of them. The relevance of the NND functions in various phenomena is also pointed out.

nth-nearest-neighbor distribution functions of an interacting fluid from the pair correlation function: A hierarchical approach

NASA Astrophysics Data System (ADS)

Bhattacharjee, Biplab

2003-04-01

The paper presents a general formalism for the nth-nearest-neighbor distribution (NND) of identical interacting particles in a fluid confined in a ν-dimensional space. The nth-NND functions, W(n,r¯) (for n=1,2,3,…) in a fluid are obtained hierarchically in terms of the pair correlation function and W(n-1,r¯) alone. The radial distribution function (RDF) profiles obtained from the molecular dynamics (MD) simulation of Lennard-Jones (LJ) fluid is used to illustrate the results. It is demonstrated that the collective structural information contained in the maxima and minima of the RDF profiles being resolved in terms of individual NND functions may provide more insights about the microscopic neighborhood structure around a reference particle in a fluid. Representative comparison between the results obtained from the formalism and the MD simulation data shows good agreement. Apart from the quantities such as nth-NND functions and nth-nearest-neighbor distances, the average neighbor population number is defined. These quantities are evaluated for the LJ model system and interesting density dependence of the microscopic neighborhood shell structures are discussed in terms of them. The relevance of the NND functions in various phenomena is also pointed out.

Uncertainty quantification and propagation of errors of the Lennard-Jones 12-6 parameters for n-alkanes

PubMed Central

Knotts, Thomas A.

2017-01-01

Molecular simulation has the ability to predict various physical properties that are difficult to obtain experimentally. For example, we implement molecular simulation to predict the critical constants (i.e., critical temperature, critical density, critical pressure, and critical compressibility factor) for large n-alkanes that thermally decompose experimentally (as large as C48). Historically, molecular simulation has been viewed as a tool that is limited to providing qualitative insight. One key reason for this perceived weakness in molecular simulation is the difficulty to quantify the uncertainty in the results. This is because molecular simulations have many sources of uncertainty that propagate and are difficult to quantify. We investigate one of the most important sources of uncertainty, namely, the intermolecular force field parameters. Specifically, we quantify the uncertainty in the Lennard-Jones (LJ) 12-6 parameters for the CH4, CH3, and CH2 united-atom interaction sites. We then demonstrate how the uncertainties in the parameters lead to uncertainties in the saturated liquid density and critical constant values obtained from Gibbs Ensemble Monte Carlo simulation. Our results suggest that the uncertainties attributed to the LJ 12-6 parameters are small enough that quantitatively useful estimates of the saturated liquid density and the critical constants can be obtained from molecular simulation. PMID:28527455

Excipient-assisted vinpocetine nanoparticles: experiments and molecular dynamic simulations.

PubMed

Li, Cai-Xia; Wang, Hao-Bo; Oppong, Daniel; Wang, Jie-Xin; Chen, Jian-Feng; Le, Yuan

2014-11-03

Hydrophilic excipients can be used to increase the solubility and bioavailability of poorly soluble drugs. In this work, the conventional water-soluble pharmaceutical excipients hydroxypropylmethylcellulose (HPMC), polyvinylpyrrolidone (PVP), and lactose (LAC) were used as solid supports to prevent drug nanoparticles from aggregation and enhance drug dissolution. Excipient-assisted vinpocetine (VIN) nanoparticles were prepared by reactive precipitation. The analysis results indicated that HPMC was a suitable excipient to prepare VIN nanoparticles. VIN/HPMC nanoparticles had a mean size of 130 nm within a narrow distribution. The dissolution rate of VIN nanoparticles was significantly faster than those of a physical mixture of VIN/HPMC and raw VIN. VIN/HPMC nanoparticles had a higher dissolution profile than VIN/PVP and VIN/LAC nanoparticles. Besides, molecular dynamics (MD) simulation was applied to investigate the molecular interactions between VIN and excipients. The calculated results revealed that VIN interacted with excipients by Coulomb and Lennard-Jones (LJ) interactions. Few hydrogen bonds were formed between VIN and excipients. The HPMC affording smaller particle size may be a result of the stronger interactions between VIN and HPMC (mainly LJ interaction) and the property of HPMC. These characteristics may greatly influence the adsorption behavior and may be the crucial parameter for the better performance of HPMC.

Earthquake nucleation on faults with rate-and state-dependent strength

USGS Publications Warehouse

Dieterich, J.H.

1992-01-01

Dieterich, J.H., 1992. Earthquake nucleation on faults with rate- and state-dependent strength. In: T. Mikumo, K. Aki, M. Ohnaka, L.J. Ruff and P.K.P. Spudich (Editors), Earthquake Source Physics and Earthquake Precursors. Tectonophysics, 211: 115-134. Faults with rate- and state-dependent constitutive properties reproduce a range of observed fault slip phenomena including spontaneous nucleation of slip instabilities at stresses above some critical stress level and recovery of strength following slip instability. Calculations with a plane-strain fault model with spatially varying properties demonstrate that accelerating slip precedes instability and becomes localized to a fault patch. The dimensions of the fault patch follow scaling relations for the minimum critical length for unstable fault slip. The critical length is a function of normal stress, loading conditions and constitutive parameters which include Dc, the characteristic slip distance. If slip starts on a patch that exceeds the critical size, the length of the rapidly accelerating zone tends to shrink to the characteristic size as the time of instability approaches. Solutions have been obtained for a uniform, fixed-patch model that are in good agreement with results from the plane-strain model. Over a wide range of conditions, above the steady-state stress, the logarithm of the time to instability linearly decreases as the initial stress increases. Because nucleation patch length and premonitory displacement are proportional to Dc, the moment of premonitory slip scales by D3c. The scaling of Dc is currently an open question. Unless Dc for earthquake faults is significantly greater than that observed on laboratory faults, premonitory strain arising from the nucleation process for earthquakes may by too small to detect using current observation methods. Excluding the possibility that Dc in the nucleation zone controls the magnitude of the subsequent earthquake, then the source dimensions of the smallest earthquakes in a region provide an upper limit for the size of the nucleation patch. ?? 1992.

Angular Momentum Content of the ρ Meson in Lattice QCD

NASA Astrophysics Data System (ADS)

Glozman, Leonid Ya.; Lang, C. B.; Limmer, Markus

2009-09-01

The variational method allows one to study the mixing of interpolators with different chiral transformation properties in the nonperturbatively determined physical state. It is then possible to define and calculate in a gauge-invariant manner the chiral as well as the partial wave content of the quark-antiquark component of a meson in the infrared, where mass is generated. Using a unitary transformation from the chiral basis to the LJ2S+1 basis one may extract a partial wave content of a meson. We present results for the ground state of the ρ meson using quenched simulations as well as simulations with nf=2 dynamical quarks, all for lattice spacings close to 0.15 fm. We point out that these results indicate a simple S13-wave composition of the ρ meson in the infrared, like in the SU(6) flavor-spin quark model.

Angular momentum content of the rho meson in lattice QCD.

PubMed

Glozman, Leonid Ya; Lang, C B; Limmer, Markus

2009-09-18

The variational method allows one to study the mixing of interpolators with different chiral transformation properties in the nonperturbatively determined physical state. It is then possible to define and calculate in a gauge-invariant manner the chiral as well as the partial wave content of the quark-antiquark component of a meson in the infrared, where mass is generated. Using a unitary transformation from the chiral basis to the ;{2S+1}L_{J} basis one may extract a partial wave content of a meson. We present results for the ground state of the rho meson using quenched simulations as well as simulations with n_{f} = 2 dynamical quarks, all for lattice spacings close to 0.15 fm. We point out that these results indicate a simple ;{3}S_{1}-wave composition of the rho meson in the infrared, like in the SU(6) flavor-spin quark model.

Summaries of Research - 1979.

DTIC Science & Technology

1979-01-01

UNERSEA JCUjRNAL i2(4):14,-15, 1371y BEHAVTURAL SCIENCES M0C99.PN.JC3.3Cle, QEPURT NC. 6 UIV ING STR ESS NPRI i’-CC92 CrChAN MJ JENKINS LJ Jk CLPTIS...7-C01j SIELKIuN DC SL.HEQ I PAUL wE 8 LYMPF-GLYTE ACTIVAT~uN dY ANT1-IA~ MUNG ; LUJULIN ANTIBODIES. IN: PHiYSILAL-Cf-LtILAL ASPECTS OF CELL SLRFACE

Maximizing PTH Anabolic Osteoporosis Therapy

DTIC Science & Technology

2014-09-01

PTH- stimulated addition of trabecular bone at 3 weeks of hor- mone treatment, and that Nmp4 has a profound regulatory role in BM population dynamics...Qin L, LJ Raggatt, and Partridge. (2004). Parathyroid hor- mone : a double-edged sword for bone metabolism. Trends Endocrinol Metab 15:60–65. 14. Kular...parathyroid hor- mone administration is due to the stimulation of prolifera- tion and differentiation of osteoprogenitor cells in BM. Bone 15:717–723. 16

Modeling and Control of a Tethered Rotorcraft

DTIC Science & Technology

2010-07-30

viscous damper with damping coefficient Cv. Visco-elastic line force is written in terms of components Δx, Δy, and Δz, of the difference vector formed...tether drag coefficient CS = tether damping coefficient Cv = viscous damping coefficient d = diameter of the tether En = n x n identity matrix FA...matrix consisting of Iyy and Izz k = rotor head stiffness KLAT, KLON = steady state flapping gains Ks, Kv = static and viscous stiffness Lj

Identification of Components or Fractions Associated with Adverse Changes in Freeze Dried Chicken and Pork during Storage

DTIC Science & Technology

1978-06-01

Products Util- ization and Marketing Research Laboratory, Richard B. Russcll Agricultural Research Center, Agricultural Research Service, United States...was to determine the effect of the salt phosphate treatment on rehydration. Dr. Arthur J. Mercuri, Chief, Animal Products Utilization and Marketing ... Research Laboratory served as Project Lj.ader, with Fir. A. A. Klose and Dr. W. E. Townsend, Frincipal investigators, and Ms. Brenda Lyon, Technician

Modeling the Circulation of the Atchafalaya Bay System. Part 2. River Plume Dynamics during Cold Fronts

DTIC Science & Technology

2008-07-01

seaward. The in- Journal of Coastal Research, Vol. 24, No. 4, 2008 1066 Cobb, Keen, and Walker AB Seftfty, OBW 5O..176:7 Lsd 12 s ,Cb MOssiWSO SLI1T...Oceanography, 23, 164-171. along the Eastern Chenier Plain coast: down drift impact of a delta PEREZ, B.C.; DAY, J.W., JE.; RouE, L.J.; SHAw . R.F., and

What If You Ran Your Bookstore Like a Library? The Troubled Book Business Can Learn from Libraries' Willingness to Share

ERIC Educational Resources Information Center

Fister, Barbara

2008-01-01

Ten years ago, stories like "B&N: The New College Library" (LJ 2/1/98) and "What If You Ran Your Library Like a Bookstore?" (American Libraries, 3/98) kicked up a controversy about the viability of libraries. Ironically, these days it's the book business that has an aura of crisis and gloom, while visits to libraries are surging. Over two billion…

Automated Author Aiding System Conference

DTIC Science & Technology

1985-07-01

fraie. Most selections lead to other frames , but some have " actions ", which perform a procedural function such as running a particular program. Finally...S. Army L=J Research Institute for thie Behavioral and Social Sciences..- j July 1985 APProved for public release; distribullon unlimited. ,8 6 .. U...Repotf) Approved for public release; distribution unlimited 17. GISTRIOUTION STATEMENT (.o UI. sba’,ect tr.,.d i. Block 20, t diff.,ret from Repoar) Is

The Global Hawk Unmanned Aerial Vehicle Acquisition Process: A Summary of Phase I Experience,

DTIC Science & Technology

1997-01-01

8217 ]p ßSTEIM ■ nvrmim ü f ATX » LJ^P^ iiaiiiiiiaJ Mm MM» .. VHP The research described in this report was sponsored by the Defense Advanced...Flight Sciences, Northrop Grumman, Boeing, Raytheon, Westinghouse, Scaled Composites , Teledyne Ryan Aeronautical, and E-Systems, without whose...Corporation, Westinghouse, Northrop Grumman, Scaled Composites , Raytheon, Boeing, Teledyne Ryan, E-Systems, and Aurora Flight Sciences. It should be noted

Deep Drilling Results in the Atlantic Ocean: Continental Margins and Paleoenvironment

DTIC Science & Technology

1979-01-01

nannoplankton, a sparse to rich DITIBTO OF HORIZO C I foraminiferal fauna (simple arenaceous foramin - 5S SSftB / ifera, lagenids, epistominids, and primitive...Deep Sea Pessagno, E.A., Jr., Mesozoic Planctonic Foramin - DrillingP , 11, Washington (U.S. Govern- vera and Radiolaria, in Ewing, M., Worzel, L.J. ment...Strati- B.,er, W.H., Foramin ooze: solution at graphic Micropaleontology of Atlantic Basins depths, Science, 156, 383-385, 1967. and Borderlands

Mechanisms of Virus-Induced Neural Cell Death

DTIC Science & Technology

2002-09-01

55: 1031-1032 84. Tyler KL, Tedder DG, Yamamoto LJ, Klapper JA, Ashley R, Lichtenstein KA , Levin MJ (1995) Recurrent brainstem encephalitis associated...nervous system Roberta L. DeBiasi a,b,* B.K. Kleinschmidt-DeMasters b,c Adriana Weinberg a,f g, Kenneth L. Tyler b,d,ef a Department of Pediatrics...application of polymerase chain reaction to Lichtenstein KA , Levin MJ. Recurrent brainstem en- cerebrospinal fluid from brain-biopsied patients and corre

Investigating the Transport and Fate of Polychlorinated Biphenyls with Stable Chlorine Isotopes

DTIC Science & Technology

2001-09-30

recently accepted in the journal Organic Geochemistry. We published another manuscript in Environmental Science and Pollution Research on the...Chlorine in the Environment a book written by Ruth Stringer and Paul Johnson. This review will soon appear in the journal Environmental Science and...Heraty, L.J., Holt, B.D., Sturchio, N.C., Eglinton, T.I., Drenzek, N.J., Xu, L., Lake, J.L., Maruya, K.A., 2000. Environmental Science and

Foreign Currency Exchange Rate Fluctuation Funds.

DTIC Science & Technology

1981-08-21

Services should account for gains and losses due to currency C-) exchange rate fluctuations in fiscal year 1981 military construc- tion and family...housing programs. Some officials contend that, ._J since no contingency funds were made available in fiscal year LJ* 1981, it is not necessary to account...possible trans- F fer to the contingency’ funds. Gains would have been recorded in C= fiscal year 1981 due to the favorable U.S. dollar fluctuations

Low-Loss Materials for Josephson Qubits

DTIC Science & Technology

2014-10-09

quantum circuit. It also intuitively explains how for a linear circuit the standard results for electrical circuits are obtained, justifying the use of... linear concepts for a weakly non- linear device such as the transmon. It has also become common to use a double sided noise spectrum to represent...loss tangent of large area pad junction. (c) Effective linearized circuit for the double junction, which makes up the admittance $Y$. $L_j$ is the

Advanced Training Techniques Using Computer Generated Imagery.

DTIC Science & Technology

1981-09-15

Annual Technical Report for Period- 16 May 1980 - 15 July 1981 LJ Prepared for AIR FORCE OFFICE OF SCIENTIFIC RESEARCH Director of Life Sciences Building...Simulation Management Branch, ATC, Randolph AFB, TX 78148, November 1977. Allbee, K. F., Semple C. A.; Aircrew Training Devices Life Cycle Cost and Worth...in Simulator Design and Application, Life Sciences, Inc., 227 Lood 820 NE, Hurst, Texas 76053, AFOSR-TR-77- 0965, 30 September 1976 McDonnell Aircraft

Optimum Disinfection Properties and Commercially Available Disinfectants

DTIC Science & Technology

1989-07-01

organic constituents that display a chlorine demand.) d. Upon addition to water, the agent should dissolve quickly and release its active ingredient(s...trione pH dependence alkaline pH favored Temperature dependence high at low residual Palatability Taste and odor claimed to be lartgly absent Color...CryptosgortdLjM at various temperature and pH levels. 2. A field procedwu for masueing disinfectant residual is ".eded for chlorin dioaide. 3. Stability

An adaptive extended finite element method for the analysis of agglomeration of colloidal particles in a flowing fluid

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

Choi, Young Joon; Jorshari, Razzi Movassaghi; Djilali, Ned

2015-03-10

Direct numerical simulations of the flow-nanoparticle interaction in a colloidal suspension are presented using an extended finite element method (XFEM) in which the dynamics of the nanoparticles is solved in a fully-coupled manner with the flow. The method is capable of accurately describing solid-fluid interfaces without the need of boundary-fitted meshes to investigate the dynamics of particles in complex flows. In order to accurately compute the high interparticle shear stresses and pressures while minimizing computing costs, an adaptive meshing technique is incorporated with the fluid-structure interaction algorithm. The particle-particle interaction at the microscopic level is modeled using the Lennard-Jones (LJ)more » potential and the corresponding potential parameters are determined by a scaling procedure. The study is relevant to the preparation of inks used in the fabrication of catalyst layers for fuel cells. In this paper, we are particularly interested in investigating agglomeration of the nanoparticles under external shear flow in a sliding bi-periodic Lees-Edwards frame. The results indicate that the external shear has a crucial impact on the structure formation of colloidal particles in a suspension.« less

A Simple Method for Decreasing the Liquid Junction Potential in a Flow-through-Type Differential pH Sensor Probe Consisting of pH-FETs by Exerting Spatiotemporal Control of the Liquid Junction

PubMed Central

Yamada, Akira; Mohri, Satoshi; Nakamura, Michihiro; Naruse, Keiji

2015-01-01

The liquid junction potential (LJP), the phenomenon that occurs when two electrolyte solutions of different composition come into contact, prevents accurate measurements in potentiometry. The effect of the LJP is usually remarkable in measurements of diluted solutions with low buffering capacities or low ion concentrations. Our group has constructed a simple method to eliminate the LJP by exerting spatiotemporal control of a liquid junction (LJ) formed between two solutions, a sample solution and a baseline solution (BLS), in a flow-through-type differential pH sensor probe. The method was contrived based on microfluidics. The sensor probe is a differential measurement system composed of two ion-sensitive field-effect transistors (ISFETs) and one Ag/AgCl electrode. With our new method, the border region of the sample solution and BLS is vibrated in order to mix solutions and suppress the overshoot after the sample solution is suctioned into the sensor probe. Compared to the conventional method without vibration, our method shortened the settling time from over two min to 15 s and reduced the measurement error by 86% to within 0.060 pH. This new method will be useful for improving the response characteristics and decreasing the measurement error of many apparatuses that use LJs. PMID:25835300

Holographic Lens for Pilot’s Head-Up Display

DTIC Science & Technology

1976-02-01

holog; rdm lens. The dynamically-stabilized recording apparatus for the full- scale transmission hologram lens was designed and assembled in Phase 2...8217LjI for which the fringe visibility measured is 0.707 ........... 25 3 Coherence lengjth for TEMQ is 3.5 cm........27 4 Masured sinkile frequency...horizontal focal surfaces ofthe T90-N8-21.9 hologram lens . . . . . . . 118 41 Chief ray efficiency measured as a function of vertical and horizontal field

Review of Cryogenic Mechanical and Thermal Properties of Al-Li Alloys and Alloy 2219

DTIC Science & Technology

1990-09-01

8217S-N (1D -8 0 0 a a ~ * * LJ * Sea 2.24.4148. FRACTURE TOUGHNESS, ksi-in1/ 2 . .t11lllll(l111ll11l11lll llllllJ lllll1ll0 Go 40 0 00 : A% ; c c c...using the Hill formula and static measurements of Noble 38 was noted by Muller et al., 4 2 but the explanation advanced, microplasticity , may not be

Optimizing Airborne Networking Performance with Cross-Layer Design Approach

DTIC Science & Technology

2009-06-01

Schiavone , L.J.; “Airborne Networking –Approaches and Challenges,” Military Communications Conference IEEE, Oct 31 – Nov 3, 2004, Vol. 1, pp. 404...www.ccny.cuny.edu/cint/ [5] John Seguí and Esther Jennings,’’ Delay Tolerant Networking – Bundle Protocol Simulation’’ [6] DTNRG website...throughput route selection in multi-rate ad hoc wireless networks,” Technical report, Johns Hopkins CS Dept, March 2003. v 2. [15] R. Draves, J

The Role of Lecithin: Retinol Acyltransferase (LRAT)-Mediated Esterification of Vitamin A in Regulating Human Breast Cancer Cell Proliferation and Differentiation

DTIC Science & Technology

2007-04-01

involved in thetranscriptional regulation of the human LRAT gene. 15. SUBJECT TERMS Breast cancer, lecithin : Retinol Acyltransferase (LRAT...R.R., Nanus, D.M., Scherr, D.S., and Gudas, L.J. 2004. Reduced lecithin : retinol acyltransferase expression correlates with increased pathologic...Solubilization and partial characterization of lecithin -retinol acyltransferase from rat liver. J Nutr Biochem 2: 503-511. Isogai, M., Chiantore, M.V., Haque

Internet-Based Cognitive Behavioral Therapy Effects on Depressive Cognitions and Brain Function

DTIC Science & Technology

2014-03-01

differentiates deficit and nondeficit schizophrenia. Arch Gen Psychiatry 1999;56:1117-1123. 58. Dougherty DD, Bonab AA, Spencer TJ, Rauch SL, Madras...Koneru VK, Garroway J, Stein N, Rauch SL, Herbert MR, Dietrich ME, Melrose R, Grant PE, Sohma M, Klaviness S, Cohen BM, Seidman LJ, Caviness V, Biederman...2005;57(9):1011-9. 116. Frazier JA, Breeze JL, Makris N, Giuliano AS, Herbert MR, Seidman L, Biederman J, Hodge SM, Dieterich ME, Gerstein E

The Coast Artillery Journal. Volume 65, Number 4, October 1926

DTIC Science & Technology

1926-10-01

sound. a. Sound location of airplanes by binaural observation in all antiaircraft regiments. b. Sound ranging on report of enemy guns, together with...Direction finding by binaural observation. [Subparagraphs 30 a and 30 c (l).J This applies to continuous sounds such as pro- pellor noises. b. Point...impacts. 32. The so-called binaural sense is our means of sensing the direc- tion of a sound source. When we hear a sound we judge the approxi- mate

Sociocultural Influences on Psychosocial Adjustment in Antarctica

DTIC Science & Technology

1985-12-01

od-; SOCIOCULTURAL INFLUENCES ON PSYCHOSOCIAL ADJUSTMENT IN ANTARCTICA L. A. PALINKAS 00 00 ’n REPORT NO. 85-49 D I MAR ~3 11986 L) L O~flN STAnTEMN...A Apprtoved 6Wz PUbli reIl. NAVAL HEALTH RESEARCH CENTER P.O. BOX 85122 0 SAN DIEGO, CALIFORNIA 92138-9174 --j NAVAL MEDICAL RESEARCH AND DEVELOPMENT ...COMMAND LJ6. BETHESDA, MARYLAND SOCIOCULTURAL INFLUENCES ON PSYCHOSOCIAL ADJUSTMENT IN ANTARCTICA Lawrence A. Palinkas, Ph.D. Manager, Psychiatric

Dataset from Dick et al published in Sawyer et al 2016

EPA Pesticide Factsheets

Dataset is a time course description of lindane disappearance in blood plasma after dermal exposure in human volunteersThis dataset is associated with the following publication:Sawyer, M.E., M.V. Evans , C. Wilson, L.J. Beesley, L. Leon, C. Eklund , E. Croom, and R. Pegram. Development of a Human Physiologically Based Pharmacokinetics (PBPK) Model For Dermal Permeability for Lindane. TOXICOLOGY LETTERS. Elsevier Science Ltd, New York, NY, USA, 14(245): pp106-109, (2016).

Cumulative Damage Model for Advanced Composite Materials.

DTIC Science & Technology

1982-07-01

STANDARS 963-A AFWAL- TR- 82-4094 CUMULATIVE DAMAGE MODEL FOR ADVANCED COMPOSITE MATERIALS GENERAL DYNAMICS FORT WORTH DIVISION P. 0. BOX 748 FORT...WORTH, TEXAS 76101 July 1982 Final Report for Period 23 February 1981 to 23 May 19k2. Approved. for public rel ts ; dA.st ? ,* -i; .c- ,. a-. LJ ( MAR 2... procurement operation, the United Scat-.s Government thereby Incurr no responsibility nor any obligation whatsoever; and the fact t.’at the government may

Classical subjective expected utility.

PubMed

Cerreia-Vioglio, Simone; Maccheroni, Fabio; Marinacci, Massimo; Montrucchio, Luigi

2013-04-23

We consider decision makers who know that payoff-relevant observations are generated by a process that belongs to a given class M, as postulated in Wald [Wald A (1950) Statistical Decision Functions (Wiley, New York)]. We incorporate this Waldean piece of objective information within an otherwise subjective setting à la Savage [Savage LJ (1954) The Foundations of Statistics (Wiley, New York)] and show that this leads to a two-stage subjective expected utility model that accounts for both state and model uncertainty.

Proposed Closure of Los Angeles Air Force Base, California and Relocation of Space Systems Division

DTIC Science & Technology

1990-07-01

rendered temporarily out of service in accordance with state and federal regulations. Aboveground ground tanks associated with Building 130 would...Lowell, and Charles R. Smith 1978 Gabrielino. In Handbook of North American Indians-California, edited by Robert F.3 Heizer . Smithsonian Institution...8, California, edited3 by R.F. Heizer , p. 575-587. Smithsonian Institution, Washington DC. Bean, L.J. and F. Shipek 1978 Luiseno. In The Handbook of

C-9A Interior Noise Evaluation.

DTIC Science & Technology

1983-02-01

OEHL REPORK 83-101EH174BNA Cqk C-9A INTERIOR NOISE EVALUATION FEBRUARY 1983 DTIC $! ELECTE 0 Lj" __ B DIUTFION STATEMENT A [ Appoved for public releasq...may in any way be related thereto. The mention of trade names or commercial products in this publication is for illustration purposes and does not...the Public Affa.rs Office and is releasable to the National Technical Information Service (NTIS). At NTIS, it will be available to the general public

Repeated sprint ability in soccer players: associations with physiological and neuromuscular factors.

PubMed

Baldi, Marcelo; DA Silva, Juliano F; Buzzachera, Cosme F; Castagna, Carlo; Guglielmo, Luiz G

2017-01-01

The aim of this study was to examine the relationship between repeated sprint ability (RSA, 6×40 m [20+20 m] with 20-s recovery) and neuromuscular and aerobic fitness variables in male collegiate soccer players. Twenty-six players (age 22.5±3.6 years) were tested on separate days for countermovement jump (CMJ), squat jump (SJ), and standing long jump (LJ), and for maximal oxygen consumption (V̇O2max), velocity at onset of blood lactate accumulation (vOBLA), maximal aerobic speed (vV̇O2max), and peak blood lactate concentration (peak [La]). They were also tested for best and mean times on a repeated shuttle sprint ability test. RSA best time (r=-0.73 and r=-0.54) and RSA mean sprint time (r=-0.69 and r=-0.62) were significantly (P<0.01) correlated with LJ and CMJ, respectively. Significant correlations (P<0.05) were also found between RSA mean sprint time and sprint decrement with vOBLA (r=-0.44) and peak [La] (r=0.47), respectively. This study showed that RSA performance had a large to very large association with the individual level of jump performance and to a smaller extent to aerobic fitness variables in male collegiate soccer players. Given this finding, lower limbs' explosive-strength performance should be regarded as a relevant factor for male soccer.

Simple cubic equation of state applied to hard-sphere, Lennard-Jones fluids, simple fluids and solids

NASA Astrophysics Data System (ADS)

Sun, Jiu-Xun; Cai, Ling-Cang; Wu, Qiang; Jin, Ke

2013-09-01

Based on the expansion and extension of the virial equation of state (EOS) of hard-sphere fluids solved by the Percus-Yevick integration equation, a universal cubic (UC) EOS is developed. The UC EOS is applied to model hard-sphere and Lennard-Jones (LJ) fluids, simple Ar and N2 liquids at low temperatures, and supercritical Ar and N2 fluids at high temperatures, as well as ten solids, respectively. The three parameters are determined for the hard-sphere fluid by fitting molecular dynamics (MD) simulation data of the third to eighth virial coefficients in the literature; for other fluids by fitting isothermal compression data; and for solids by using the Einstein model. The results show that the UC EOS gives better results than the Carnahan-Starling EOS for compressibility of hard-sphere fluids. The Helmholtz free energy and internal energy for LJ fluids are predicted and compared with MD simulation data. The calculated pressures for simple Ar and N2 liquids are compared with experimental data. The agreement is fairly good. Eight three-parameter EOSs are applied to describe isothermals of ten typical solids. It is shown that the UC EOS gives the best precision with correct behavior at high-pressure limitation. The UC EOS considering thermal effects is used to analytically evaluate the isobaric thermal expansivity and isothermal compressibility coefficients. The results are in good agreement with experimental data.

Optimization of intermolecular potential parameters for the CO2/H2O mixture.

PubMed

Orozco, Gustavo A; Economou, Ioannis G; Panagiotopoulos, Athanassios Z

2014-10-02

Monte Carlo simulations in the Gibbs ensemble were used to obtain optimized intermolecular potential parameters to describe the phase behavior of the mixture CO2/H2O, over a range of temperatures and pressures relevant for carbon capture and sequestration processes. Commonly used fixed-point-charge force fields that include Lennard-Jones 12-6 (LJ) or exponential-6 (Exp-6) terms were used to describe CO2 and H2O intermolecular interactions. For force fields based on the LJ functional form, changes of the unlike interactions produced higher variations in the H2O-rich phase than in the CO2-rich phase. A major finding of the present study is that for these potentials, no combination of unlike interaction parameters is able to adequately represent properties of both phases. Changes to the partial charges of H2O were found to produce significant variations in both phases and are able to fit experimental data in both phases, at the cost of inaccuracies for the pure H2O properties. By contrast, for the Exp-6 case, optimization of a single parameter, the oxygen-oxygen unlike-pair interaction, was found sufficient to give accurate predictions of the solubilities in both phases while preserving accuracy in the pure component properties. These models are thus recommended for future molecular simulation studies of CO2/H2O mixtures.

A trial of adding Lactobacillus johnsonii EM1 to levocetirizine for treatment of perennial allergic rhinitis in children aged 7-12 years.

PubMed

Lue, Ko-Haung; Sun, Hai-Lun; Lu, Ko-Hsiu; Ku, Min-Sho; Sheu, Ji-Nan; Chan, Ching-Hui; Wang, Yun-Hu

2012-07-01

Supplementary consumption of probiotics may temporarily alter the intestinal microflora of infants and children, thereby preventing and treating allergic disorders. To compare the clinical efficacy of levocetirizine with that of levocetirizine plus Lactobacillus johnsonii EM1 (Lj EM1) for treating perennial allergic rhinitis (PAR) in children. Sixty-three children aged 7-12 years fulfilled the entry criteria for the study and had moderate to severe PAR of at least 1 year's duration. The treatment followed a randomized, open-label crossover design: all subjects were randomized to 2 crossover treatment regimens of levocetirizine with Lj EM1 (group 1) or levocetirizine alone (group 2) for 12 weeks; subsequently, treatments were reversed for a further 12 weeks. The effects of the 2 regimens were compared using the Pediatric Rhinoconjunctivitis Quality of Life Questionnaire (PRQLQ) and the total symptom score (TSS) from diary cards. The parameters evaluated were nasal peak expiratory flow rate (nPEFR), FVC, FEV1, serum immunoglobulin E (IgE), mite-specific IgE, eosinophilic cationic protein (ECP), resistin, blood eosinophils, eosinophil percentage in nasal smears, IL-4, IL-10, interferon-γ (IFN-γ), and transforming growth factor-β (TGF-β). After the first 12 weeks of treatment, TSS in both groups had improved progressively compared with that in the run-in period. Both groups had improved TSS at weeks 4, 8, and 12 (P<0.05), and group 1 was more efficacious than group 2 at week 4 (P=0.014), week 8 (P=0.011), and week 12 (P<0.009). During the second 12-week period, group 2 showed continual and progressive improvement, while group 1 did not. The PRQLQ scores were significantly decreased in both groups (P<0.05), but there was no statistically significant difference between the 2 groups (P=0.446). The eosinophil percentage in nasal smears decreased in both groups compared with that in the run-in period, and significant differences were detected in groups 2 and 1at 16 and 24 weeks of treatment, respectively (P<0.05). Both groups showed significant improvement in nPEFR at weeks 4, 8, 12, 16, and 24 (P<0.01), and the treatment for group 1 appeared to be more efficacious than that for group 2 at weeks 12, 16, and 20 (P<0.05). FVC and FEV1 were improved in both groups at weeks 8 through 24 (P<0.05), but there was no significant difference between the 2 groups. In cytokine measurements, IFN-γ and IL-10 increased significantly and IL-4 decreased significantly in both groups, while elevation of TGF-β was seen only in group 1 at 12 weeks (P<0.001). However, the difference in TGF-β disappeared after 24 weeks treatment. There was no difference in serum resistin levels. No serious adverse events were recorded in either treatment group. The 24-week, 2-phase, crossover treatment program showed that levocetirizine plus Lj EM1 was more effective for PAR than levocetirizine and that this difference persisted for at least 3 months after discontinuation of Lj EM1. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Proceedings of the Fluidic State-of-the-Art Symposium Held at Naval Surface Weapons Center, White Oak, Md on 30 September - 3 October 1974. Volume 6

DTIC Science & Technology

1974-01-01

v,^^,J^.iv;tut;.^^-^^r.^.^c.M^-trt^..^..^v:..;.-J..,..-;:.J:w,^.,... ■■^■■. . . . . ..-. ,. , ,’,.,-,w..’.-...i ..■.^aj>litfj.j^;.l^ iSisü fp^ rvf ...not, if you’re counting milk cartons as they go by, then it is no problem at all. E2 isL.. ... | ■ ■■..: -:.-,.,. ■.D-:..A--^L-;>--I:-^LJ^^ M IPM

Evaluation of Uniform Cost Accounting System to Fully Capture Depot Level Repair Costs.

DTIC Science & Technology

1985-12-01

RD-RI65 522 EVALUATION OF UNIFORM COST ACCOUNTING SYSTEM TO FULLY i/I CAPTURE DEPOT LEVEL REPAIR COSTS (U) NAVAL POSTGRADUATE SCHOOL MONTEREY CA D R...8217.LECTE B ,- THESIS EVALUATION OF UNIFORM COST ACCOUNTING SYSTEM 0TO FULLY CAPTURE DEPOT LEVEL REPAIR COSTS Jby __jDavid Richmond O’Brien lj,,, December...Include Security Classification) EVALUATION OF UNIFORM COST ACCOUNTING SYSTEM TO FULLY CAPTURE DEPOT LEVEL REPAIR COSTS 12 PERSONAL AUTHOR(S) O’Brien- David

Nonspecific Resistance Induced by an Immunopharmacologic Agent Derived from Bordetella pertussis.

DTIC Science & Technology

1985-01-31

NONSPECIFIC RESISTANCE INDUCED BY AN IMM1JNOPHAL’-ACOLOGIC AGENT DERIVED FROM a u’seeOG EoTwwE BORDE2’ELLA PERTUSSIS * OTATO RN UU~e AU THOR(*) B OTATO RN...antibodies 20. A 9STRPACT (Con tnue an revwre side It necessary and fdontitlP Ip 5149k IeebffJ LJ..JTreatment of mice with Bordetella pertueeis vaccine...resulted in * resistance to mouse adenovirus infection. Antiviral activity was associated with surface components of B. pertussie . Acellular fractions with

Gas Phase Ion-Molecule Chemistry of Carbon, Nitrogen and Oxygen Compounds.

DTIC Science & Technology

1985-01-29

silyl anions aza allyl anion) phosphide anion sulfides) Reactivity; nitrite estersj electron affinityMechanism’, sulfur dioxidej. (cont’d) M L..J A6*rAcr...use of silane chemistry to attack a problem of fundamental importance to all organic chemistry, the relative acidity of the alkanes.20 While it is well...alkane lost are a measure of the relative acidity of RH. For example, because ethane is lost less easily than methane, we believe that the ethyl anion

Development of the TACOM (Tank Automotive Command) Thermal Imaging Model (TTIM). Volume 1. Technical Guide and User’s Manual.

DTIC Science & Technology

1984-12-01

BLOCK DATA Default values for variables input by menus. LIBR Interface with frame I/O routines. SNSR Interface with sensor routines. ATMOS Interface with...Routines Included in Frame I/O Interface Routine Description LIBR Selects options for input or output to a data library. FRREAD Reads frame from file and/or...Layer", Journal of Applied Meteorology 20, pp. 242-249, March 1981. 15 L.J. Harding, Numerical Analysis and Applications Software Abstracts, Computing

Internal Energy Transfer and Dissociation Model Development using Accelerated First-Principles Simulations of Hypersonic Flow Features

DTIC Science & Technology

2013-07-11

in Fig. 3) is simulated. Each atom interacts with its neighboring atoms through a potential energy surface (PES), such as the simple Lennard - Jones ... Lennard -­‐ Jones  (LJ)   potential  energy  surface  (PES)  dictating  atomic  interaction  forces. The main point of this section is to...the potential energy surface (PES) that governs individual atomic interaction forces. In contrast to existing rotational energy models, we found

COLLABORATIVE RESEARCH AND DEVELOPMENT (CR&D) Delivery Order 0034: Aircraft Coatings Modeling and Simulation

DTIC Science & Technology

2008-03-01

bonded potentials used. The interactions between the beads were described using 6-12 Lennard - Jones (LJ) potential (Equation (1)) with a 2.5 d cutoff...in Lennard - Jones potential for the non-bonded interactions is at 1.12 d in line with the second peak. The remainder of the g(r)chain-chain has...Simulator). 40 Lennard - Jones and Coulombic interactions for pairs of organic atoms were computed using a switching function with inner and outer cutoffs of

Graphic Enhancement of the Aircraft Penetration Model for Use as an Analytic Tool.

DTIC Science & Technology

1983-03-01

internal web of subroutines linked by a ’nervous sytem’ of labelled common blocks." [Ref. 23] Once the user prescribes the parameters for a particular...10 MI4 - ww (A~’ - 0 z . l J- 6,- L a-. 1- ’..u.. - V):LA r w iJ..W 0 d4- Z 9- wtv 4)Lj.J.44 I---M. .. j jU- Wix it 9I’-wku SAXw. Q.3 t- Vd I)4.J13v)v

Molecular Dynamics in Nitramines and Modified Nitramines

DTIC Science & Technology

1983-11-01

34melts"? Uhat is the structure of RDX and HMX molecules in the "melt", solution, and ,gas phases? What is the structure of the O- RDX polymorph ? These... RDX molecule has 4sentially 3v oeulrsrutr L~j -in all environments except the stable solid"V- RDX ph&*e. The RDX and HMX --~J meslts were found to be...otion and phase transition characteristics of HMX . These studies involve approaches not previously used in this field such as 14 N nuclear quadrupole

A Numerical Solution of the Second-Order-Nonlinear Acoustic Wave Equation in One and in Three Dimensions.

DTIC Science & Technology

1981-01-08

95 Limits of Applicability of Weak-Finite- Amplitude Theory ... ............ 100 Near- Field Calibration of Parametric Sources...concerning the amount of energy that may be trans- mitted to the far field by various types of signals. CPOIi eslu er 06]i C) 3O d SIM aC NOI.LjZI’IS...ducers at finite amplitudes, conclusions are presented concerning the amount of energy that may be transmitted to the far field by various types of

Unclassified Publications of Lincoln Laboratory, Volume 10.

DTIC Science & Technology

1984-12-31

Plasma-Deposited Si 3N4 Turner, G.W. J. Electrochem. Soc., .’ - as an Oxidation Mask in the Connors, M.K. Vol. 131, No. 5, May Fabrication of GaAs 1984...Time Interval Counter 25-27 May 1982, to Obtain Phase pp. 4-1 - 4-4 6115 Complex Reflectivity and Goldner, R.B. SPIE, Vol. 401, Thin Film Refractive...Doublers with Series Courtney, W.E. Millimeter Wave Connected Varactor Diodes Mahoney, L.J. Monolithic Circuits "- - McClelland, R.W. Symp., Digest of

Dynamic Stall Computations Using a Zonal Navier-Stokes Model

DTIC Science & Technology

1988-06-01

NAVAL POSTGRADUATE SCHOOL lotMonterey ,California CD Lj STATF ,-S THESIS DYNAMIC STALL CALCULATIONS USING A ZONAL.-,_ % 0 NVETESISDE by Jack H...Conroyd, Jr. June 1988 Thesis Co-advisors: M.F. Platzer Lawrence W. Carr Approved for public release; distribution is unlimitedDOTIC , ~~~~~~~~ELECT...OINT %, Master s Thesis OM To June 212 6 SLP;’LEENTARY NOTATION ri The views expressed in this thesis are those of the author and do not reflect the

Topics in Optical Materials and Device Research - II. Volume I.

DTIC Science & Technology

1982-01-01

Reflectometry Nicolet Optical Waveguide Computer Wavelength Multiplexing Silicon C it --l Pulse Generator CDSilicon Nitride 8 rystal-Growth Mechanism...expression for the power lost due to transition radiation will be given by SPTZ t) LA- L E- F, Q (18) -- 42 . c ; os )a -, - )(a+L - ~ O ~ o ~/-/3)CL - C /(d...IKe r1 ) J y 0 aJ., - C ,,-- O --) f2¢.,+-,) .T,,.,,() ,.(;,_, - LJ i (_1,,,, J _f-a.) - ao ,."T, (,) ,, ~Ca-)] (Al) / " 00,2 (fvid. = - L .z , ) (-1

XBP1, Unfolded Protein Response, and Endocrine Responsiveness

DTIC Science & Technology

2009-05-01

through regu- lation of large-scale chromatin unfolding. Biochem Biophys Res Commun 2004, 323(1): 269-74. 59. Vaupel, P., Kelleher, D.K. and Hockel...stage 2 (M2)” or “ crisis ” [64]. 2.6. Endocrine-induced cell death in breast cancer Precisely how breast cancer cells die following estrogen with- drawal...2005) 2747–2757. [17] R.C. Coombes , E. Hall, L.J. Gibson, R. Paridaens, J. Jassem, T. Delozier, S.E. Jones, I. Alvarez, G. Bertelli, O. Ortmann, A.S

Implications of the Strategic Defense Initiative for ABM Treaty.

DTIC Science & Technology

1986-02-01

are permitted to be developed only in deployed or is about to deploy non-limited sytems a fixed, land-based configuration. Thus, some having some ABM ...AIAl A Professional Paper 441 /February 1986 Implications of the Strategic Defense Initiative for ABM Treaty DTICF L) by Z -LECTE AUG 2 2 W58 George R...Ade i-ccd E Lj ,viL Implications of the Strategic Defense Initiative for the ABM Treaty GEORGE R. SCHNEITER Introduction The article first reviews the

Civil Defense in Central Europe and its Effects on Political and Military Leadership

DTIC Science & Technology

1981-06-05

Belgique in French (Brussels) 20 November 1970; translated and ited Tn West Europe Report No 1533 dated 29 Jan 1980 (JPRS No 75021). 4 Carl-Friedrlch von ...1979; translated and cited in West Europe Report No 1533 dated 29 Jan 1980 (JPRS No 75021). 25 LJ 26 12Wolfram von Raven, * (The Hole in the Security...Schwarz, Zivilschutz im Ausland II (Bonn: Bundesamt fuer Zivilschutz, 1977), page 156. 34 Ibi.d, page 153 and 155. 35 Hans Sperl , "Strahlenschutz in

MIZEX. A Program for Mesoscale Air-Ice-Ocean Interaction Experiments in Arctic Marginal Ice Zones. I. Research Strategy.

DTIC Science & Technology

1981-06-01

I0’ writing -up of results, and synthesis of the Bering km in surface area; the Bering Sea area is on the MIZ results with incoming results from the...application to rapid Ielting . Rev. Iho trne.ali Sea sdui ri Al ).f X, N. pi I 1975 Api I 19761 li la yer lj t ’ii.,i r wNil liet.,ii fol r1 od,% ’ir e r. S

Atomic Scale Mixing for Inertial Confinement Fusion Associated Hydro Instabilities

DTIC Science & Technology

2013-01-26

observe that the obvious step of RT validation using NIF or Omega laser data does not address themultimode, mode coupling RTgrowth stage, as the...ignition facility, Phys. Plasmas 18 (2011) 051001. [2] W. Goldstein, R. Rosner, Workshop on the Science of Fusion Ignition on NIF , Technical Report LLNL-TR...11 (2004) 339e491. [6] S.P. Regan, R. Epstein, B.A. Hammel, L.J. Suter, J. Ralph, et al., Hot-spot mix in ignition-scale implosions on the NIF , Phys

Effects of Altitude Exposure in Photorefractive Keratectomy (PRK) Subjects

DTIC Science & Technology

2006-08-01

changes in RK and early post-op Laser In-situ Keratomileusis ( LASIK ) subjects but not in PRK subjects. The Tanzer8 study evaluated 30 naval aviators...Pikes Peak. The Pikes Peak study, conducted over a three days at 14,100 feet, reported no significant change in PRK and LASIK treated subjects as...The effect of hypoxia on refraction following LASIK surgery. IOVS 1999; 40(4):S895 4. Ng JD, White LJ, Parmley VC, Hubickey W, Carter J, Mader TH

Chaparral Skill Retention

DTIC Science & Technology

1979-03-01

0 M 0 u 0 .oc 9 00 43 v -’ CLv . u s0A).00 43x £ fLJ . CO 4 ,4 4c z 41 4344 z 4 r. ’- C4r.3o04(1)M Q3 an4 w.> U) .0 .0443 .. .0 . > , H. 41 a4 r_ 410 z...USASA, Arlington, ATT’N: IARD-T 1 USA Topographic Lab. Ft Belvoir. ATTN: ETL- TD --S I USA Fischs Ofc, Durham, ATTN: Life Sciences Dir 1 USA Topographic

Initial Phase of a Study of Bottom Interaction of Low Frequency Underwater Sound

DTIC Science & Technology

1976-04-06

groups. The people involved include Halcyon Morris, Homer Bucker, Ed Hamilton, and Mel Pederson of the Naval Undersea Center, San Diego, California...0> > I. * I ’ . A R ’.~ o ’~ A .~ 0IA0 -47 I- I LL I 4 ~ 4C< a... UU N 0l0 ~~0w I,: U E 4= . RL UTa, e g - - 8a 7 58 o _ _ _L J. 0 I A -I L)-J z ED

Improved Objective Measurements for Speech Quality Testing

DTIC Science & Technology

1985-01-01

criterion with the possible exception of the channel vocoder, for which the spread in subjective responses was slightly less than des ired. 4 10 -a_- 14...n 5 19-.0 H ,e -- * ,- p--. -. a’ - - -:== .. LJ. . U .... :1±, .L±--± i- -.. ni m.,in h U ’ el l . ORII STCO 1RE PROIOP)LES p =.. •,,• mI.. 1 .S OI...parameter III specifies thce threshold between objectively interrupted and non-interrupted speech. In the foi- aula apecifying RATIO, mf is the index of the

The Red Blood Cell Transfusion Trigger: Has the Sin of Commission Now Become a Sin of Omission?.

DTIC Science & Technology

1997-05-01

disease. N . Engl. J. Med. 1995;333:251-253. 85. Ignarro LJ, Buga GM, Wood KS, et al. Endothelium -derived relaxing factor produced and released from...George D, Loscalzo J. Inhibition of fibrinogen binding to human platelets by S-nitroso- N - acetylcysteine . J. Biol. Chem. 1990;265:19028-19034. 28 92...attributable primarily to shear stress-induced nitric oxide release from the endothelium , it would seem logical that transfusing red blood cells to the 30

Mobile Augmented Reality: Applications and Human Factors Evaluations

DTIC Science & Technology

2006-06-01

Reconstruction, Kluwer Academic Publishers. [8] M.A. Livingston, L.J. Rosenblum, S.J. Julier, D.G. Brown, Y. Baillot, J.E. Swan II, J.L. Gabbard , and D...Education Conference. [9] M.A. Livingston, J.E. Swan II, J.L. Gabbard , T. Höllerer, D. Hix, S.J. Julier, Y. Baillot, and D.G. Brown (2003...J.E. Swan II, M.A. Livingston, H.S. Smallman, D.G. Brown, Y. Baillot, J.L. Gabbard , and D. Hix (2006). “A Perceptual Matching Technique for Depth

Lasers Induced Damage in Optical Materials: 1985. Proceedings of the Symposium on Optical Materials for High-Power Lasers (17th) Held in Boulder, Colorado on October 28-30, 1985

DTIC Science & Technology

1988-07-01

optical coatings.[lj In * single and multilayer anatase TiO 2 coatings, sufficiently intense pulsed laser irradiation at 532 nm led to observation of...temperatures of pulsed laser - irradiated anatase coatings have been computed from Stokes/anti-Stokes band intensity ratios at zero time delay as a function of...Adar Time-Resolved Temperature Determinations from Raman Scattering of TiO𔃼 Coatings During Pulsed Laser Irradiation

System Control for the Transitional DCS.

DTIC Science & Technology

1979-05-01

Avenue I . NUMBER OF PAGES Reston, VA 22090 300 14. MONITORING AGENCY NAME & ADDRESS(if different from Controlling Office) IS. SECURITY CLASS. (of this...adjusting the routing in the AUTOVON Network. DD FORMj 73 1473 EOITION OF I NOV 65 IS OBSOLETE YV_, UNCLASSIFIED [ L.j 29.? .’ SECURITY CLASSIFICATION OF THIS...PAGE ("en Data Entered) SECURIT’, 1.LASSIPrICATIO04 OP THIS PAGE(Wbmn Deta.Entered) SECURITY CLASIIPICATIOM OF U* PAGE(nem" Data Entoewl I I I SYSTEM

Department of Clinical Investigation, Annual Research Progress Report Fiscal Year 1988

DTIC Science & Technology

1988-09-30

Enanthate with Testolactone. Clin Res 36( 1 ): 122A, 1938 Friedl KE, Hannan CJ, Effect of Eye Color on Heart Rate Mader TH, Patience TH, Response to...J Clin Oncol 6( 1 ): 154-57, 1988 11 PUBLICATIONS - MAMC - FY 88 Schoenfeld SL, McCulloch DK Insulin Autoantibody Detection in Nuovo JA, Klaff LJ...Acid:CoASH Ligase (AMP). Effects of Insulin , Glucagon, Glucocorticoids, and Thyroid Hormones 27 PI and No. Status Page JONES, RE 0 Investigations into the

Perspectives of Survivors on Military Suicide Decedents’ Life Stressors and Male Gender Role Stress using the Male Gender Role Stressor Inventory (MGRSI)

DTIC Science & Technology

2013-03-26

Inventory (MGRSI) by Arlie Graham Sterling IV Master’s Thesis submitted to the faculty of the Department of Medical and Clinical...Gender Role Stress using the Male Gender Role Stressor Inventory (MGRSI) Name of Candidate: A. Graham Sterling IV Department of Medical and...MGRSI) Name ofCandicbte: LT.JG Arlie Grnham Sterling JV, Master of Science in Medical and Clinical Psychology, Date: 03/26/20 lJ Tl IESIS /\\ND

Social Network Collaboration for Crisis Response Operations: Developing a Situational Awareness (SA) Tool to Improve Haiti’s Interagency Relief Efforts

DTIC Science & Technology

2011-06-01

and interpret patterns of social ties among actors, either multitudinous or relatively few (de Nooy, Mrvar , & Batagelj , 2005, p. 5). An aspect of...millions of vertices [aka nodes] ( Batagelj & Mrvar , 2003). With its ability to process large networks, it is considered an excellent social-network...8217Vladimir Batagelj and Andrej Mrvar —program package Pajek: http://vlado.fmf.uni-lj.si/pub/networks/pajek/’ name=’generator’/> </head> <Scene

Naval Postgraduate School Research. Volume 10, Number 1, February 2000

DTIC Science & Technology

2000-02-01

morale waned along with public perceptions of the military; reports of disciplinary problems, drug use, and substandard performance circulated widely...1.78 m long, 0.86 m wide, and 0.61 m deep. Inserted at the center of both sides of the tank, are 37x27x0.6 cm viewing glass windows (Figure 2...potential research directions in multimedia and network- ing. NATIONAL SECURITY AFFAIRS L.J. Roberts, The Lebanese in Ecuador: A History of Emerging

Proceedings of the 1982 Army Numerical Analysis and Computers Conference.

DTIC Science & Technology

1982-08-01

field array WACC (l,J). Configuration types. The cartesian coordinates of the points on the entire boundary of the physical region, i.e., the closed outer...the field array WACC . This calculation is discussed in Ref.[8],where it is noted that the values obtained are not truly optimum in all cases...placed in the field 60 4g array WACC . The addition to the control functions from attraction to specified lines and/or points in the physical region is

Potential for North American Mosquitoes to Transmit Rift Valley Fever Virus

DTIC Science & Technology

2008-01-01

ELEMENT NUMBER 6. AUTHOR( S ) Turell MJ Dohm DJ Mores CN Terracina L Wallette DL Jr Hribar LJ Pecor JE Blow JA 5d. PROJECT NUMBER 5e. TASK NUMBER 5f...WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME( S ) AND ADDRESS(ES) United States Army Medical Research Institute of Infectious Diseases, Fort...Detrick, MD 8. PERFORMING ORGANIZATION REPORT NUMBER TR-08-044 9. SPONSORING/MONITORING AGENCY NAME( S ) AND ADDRESS(ES) 10. SPONSOR/MONITOR’S ACRONYM( S

Non-equilibrium phase behavior and friction of confined molecular films under shear: A non-equilibrium molecular dynamics study.

PubMed

Maćkowiak, Sz; Heyes, D M; Dini, D; Brańka, A C

2016-10-28

The phase behavior of a confined liquid at high pressure and shear rate, such as is found in elastohydrodynamic lubrication, can influence the traction characteristics in machine operation. Generic aspects of this behavior are investigated here using Non-equilibrium Molecular Dynamics (NEMD) simulations of confined Lennard-Jones (LJ) films under load with a recently proposed wall-driven shearing method without wall atom tethering [C. Gattinoni et al., Phys. Rev. E 90, 043302 (2014)]. The focus is on thick films in which the nonequilibrium phases formed in the confined region impact on the traction properties. The nonequilibrium phase and tribological diagrams are mapped out in detail as a function of load, wall sliding speed, and atomic scale surface roughness, which is shown can have a significant effect. The transition between these phases is typically not sharp as the external conditions are varied. The magnitude of the friction coefficient depends strongly on the nonequilibrium phase adopted by the confined region of molecules, and in general does not follow the classical friction relations between macroscopic bodies, e.g., the frictional force can decrease with increasing load in the Plug-Slip (PS) region of the phase diagram owing to structural changes induced in the confined film. The friction coefficient can be extremely low (∼0.01) in the PS region as a result of incommensurate alignment between a (100) face-centered cubic wall plane and reconstructed (111) layers of the confined region near the wall. It is possible to exploit hysteresis to retain low friction PS states well into the central localization high wall speed region of the phase diagram. Stick-slip behavior due to periodic in-plane melting of layers in the confined region and subsequent annealing is observed at low wall speeds and moderate external loads. At intermediate wall speeds and pressure values (at least) the friction coefficient decreases with increasing well depth of the LJ potential between the wall atoms, but increases when the attractive part of the potential between wall atoms and confined molecules is made larger.

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

Srivastava, Ashish Kumar, E-mail: ashish.memech@gmail.com; Singh, Akhileshwar; Mokhalingam, A.

Atomistic simulations were conducted to estimate the effect of the carbon nanotube (CNT) reinforcement on the mechanical behavior of CNT-reinforced aluminum (Al) nanocomposite. The periodic system of CNT-Al nanocomposite was built and simulated using molecular dynamics (MD) software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). The mechanical properties of the nanocomposite were investigated by the application of uniaxial load on one end of the representative volume element (RVE) and fixing the other end. The interactions between the atoms of Al were modeled using embedded atom method (EAM) potentials, whereas Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used for themore » interactions among carbon atoms and these pair potentials are coupled with the Lennard-Jones (LJ) potential. The results show that the incorporation of CNT into the Al matrix can increase the Young’s modulus of the nanocomposite substantially. In the present case, i.e. for approximately 9 with % reinforcement of CNT can increase the axial Young’s modulus of the Al matrix up to 77 % as compared to pure Al.« less

Crowding Effects on the Formation and Maintenance of Nuclear Bodies: Insights from Molecular-Dynamics Simulations of Simple Spherical Model Particles

PubMed Central

Cho, Eun Jin; Kim, Jun Soo

2012-01-01

The physics of structure formation and maintenance of nuclear bodies (NBs), such as nucleoli, Cajal bodies, promyelocytic leukemia bodies, and speckles, in a crowded nuclear environment remains largely unknown. We investigate the role of macromolecular crowding in the formation and maintenance of NBs using computer simulations of a simple spherical model, called Lennard-Jones (LJ) particles. LJ particles form a one-phase, dilute fluid when the intermolecular interaction is weaker than a critical value, above which they phase separate and form a condensed domain. We find that when volume-exclusive crowders exist in significant concentrations, domain formation is induced even for weaker intermolecular interactions, and the effect is more pronounced with increasing crowder concentration. Simulation results show that a previous experimental finding that promyelocytic leukemia bodies disappear in the less-crowded condition and reassemble in the normal crowded condition can be interpreted as a consequence of the increased intermolecular interactions between NB proteins due to crowding. Based on further analysis of the simulation results, we discuss the acceleration of macromolecular associations that occur within NBs, and the delay of diffusive transport of macromolecules within and out of NBs when the crowder concentration increases. This study suggests that in a polydisperse nuclear environment that is enriched with a variety of macromolecules, macromolecular crowding not only plays an important role in the formation and maintenance of NBs, but also may perform some regulatory functions in response to alterations in the crowding conditions. PMID:22947858

Big Bang Titanic: New Dark Energy (Vacuum Gravity) Cosmic Model Emerges Upon Falsification of The Big Bang By Disproof of Its Central Assumptions

NASA Astrophysics Data System (ADS)

Gentry, Robert

2011-04-01

Physicists who identify the big bang with the early universe should have first noted from Hawking's A Brief History of Time, p. 42, that he ties Hubble's law to Doppler shifts from galaxy recession from a nearby center, not to bb's unvalidated and thus problematical expansion redshifts. Our PRL submission LJ12135 describes such a model, but in it Hubble's law is due to Doppler and vacuum gravity effects, the 2.73K CBR is vacuum gravity shifted blackbody cavity radiation from an outer galactic shell, and its (1 + z)-1 dilation and (M,z) relations closely fit high-z SNe Ia data; all this strongly implies our model's vacuum energy is the elusive dark energy. We also find GPS operation's GR effects falsify big bang's in-flight expansion redshift paradigm, and hence the big bang, by showing λ changes occur only at emission. Surprisingly we also discover big bang's CBR prediction is T < 2x10-8 K, not the observed 2.73K. So instead of the 2.73K affirming the big bang as cosmologists claim, it actually disproves it, to which the DAE's response is most enigmatic -- namely, CBR photons expand dλ/dt > 0, while galactic photons shrink dλ/dt < 0. Contrary to a PRL editor's claim, the above results show LJ12135 fits PRL guidelines for papers that replace established theories. For details see alphacosmos.net.

DNA Methylation Influences Chlorogenic Acid Biosynthesis in Lonicera japonica by Mediating LjbZIP8 to Regulate Phenylalanine Ammonia-Lyase 2 Expression.

PubMed

Zha, Liangping; Liu, Shuang; Liu, Juan; Jiang, Chao; Yu, Shulin; Yuan, Yuan; Yang, Jian; Wang, Yaolong; Huang, Luqi

2017-01-01

The content of active compounds differ in buds and flowers of Lonicera japonica (FLJ) and L. japonica var. chinensis (rFLJ). Chlorogenic acid (CGAs) were major active compounds of L. japonica and regarded as measurements for quality evaluation. However, little is known concerning the formation of active compounds at the molecular level. We quantified the major CGAs in FLJ and rFLJ, and found the concentrations of CGAs were higher in the buds of rFLJ than those of FLJ. Further analysis of CpG methylation of CGAs biosynthesis genes showed differences between FLJ and rFLJ in the 5'-UTR of phenylalanine ammonia-lyase 2 ( PAL2 ). We identified 11 LjbZIP proteins and 24 rLjbZIP proteins with conserved basic leucine zipper domains, subcellular localization, and electrophoretic mobility shift assay showed that the transcription factor LjbZIP8 is a nuclear-localized protein that specifically binds to the G-box element of the LjPAL2 5'-UTR. Additionally, a transactivation assay and LjbZIP8 overexpression in transgenic tobacco indicated that LjbZIP8 could function as a repressor of transcription. Finally, treatment with 5-azacytidine decreased the transcription level of LjPAL2 and CGAs content in FLJ leaves. These results raise the possibility that DNA methylation might influence the recruitment of LjbZIP8, regulating PAL2 expression level and CGAs content in L. japonica .

DNA Methylation Influences Chlorogenic Acid Biosynthesis in Lonicera japonica by Mediating LjbZIP8 to Regulate Phenylalanine Ammonia-Lyase 2 Expression

PubMed Central

Zha, Liangping; Liu, Shuang; Liu, Juan; Jiang, Chao; Yu, Shulin; Yuan, Yuan; Yang, Jian; Wang, Yaolong; Huang, Luqi

2017-01-01

The content of active compounds differ in buds and flowers of Lonicera japonica (FLJ) and L. japonica var. chinensis (rFLJ). Chlorogenic acid (CGAs) were major active compounds of L. japonica and regarded as measurements for quality evaluation. However, little is known concerning the formation of active compounds at the molecular level. We quantified the major CGAs in FLJ and rFLJ, and found the concentrations of CGAs were higher in the buds of rFLJ than those of FLJ. Further analysis of CpG methylation of CGAs biosynthesis genes showed differences between FLJ and rFLJ in the 5′-UTR of phenylalanine ammonia-lyase 2 (PAL2). We identified 11 LjbZIP proteins and 24 rLjbZIP proteins with conserved basic leucine zipper domains, subcellular localization, and electrophoretic mobility shift assay showed that the transcription factor LjbZIP8 is a nuclear-localized protein that specifically binds to the G-box element of the LjPAL2 5′-UTR. Additionally, a transactivation assay and LjbZIP8 overexpression in transgenic tobacco indicated that LjbZIP8 could function as a repressor of transcription. Finally, treatment with 5-azacytidine decreased the transcription level of LjPAL2 and CGAs content in FLJ leaves. These results raise the possibility that DNA methylation might influence the recruitment of LjbZIP8, regulating PAL2 expression level and CGAs content in L. japonica. PMID:28740500

Conformation and dynamics of polymer chains on dirty surfaces: A discrete-to-continuum approach

NASA Astrophysics Data System (ADS)

Foo, Grace M.; Pandey, R. B.

1998-07-01

A discrete-to-continuum (DC) simulation approach is introduced to study the statics and dynamics of polymer chains in two dimensions with quenched barriers, a dirty surface. In our DC hybrid approach, the large-scale relaxation of polymer chains on a discrete disordered lattice is followed by off-lattice simulation using a bead-spring chain model with a finitely extensible nonlinear elastic (FENE) potential for covalent bonds and Lennard-Jones (LJ) potential for nonbonded interactions. Segregation/folding of chains, which occurs at low temperatures (T=0.2, 1.0) with LJ interaction, becomes more difficult as the concentration of barriers increases, due to a screening effect of the barriers. In contrast to the chains' contraction at high temperature (i.e., T=5) and their collapse in athermal systems, chains are elongated on increasing the barrier concentration—a barrier-induced stretching. Variations of the root-mean-square (rms) displacements of the center of mass (Rcm) of the chains and their center node (Rcn) with time (t) show power-law behaviors (Rcm˜tν1, Rcn˜tν2) with nonuniversal exponents in the range ν1≃0.40-0.05 and ν2≃0.30-0.05, respectively, depending on temperature and barrier concentration. The radius of gyration (Rg) and the average bond length () expand on increasing the barrier concentration at low temperature and contract at high temperature, which is consistent with the variation of the width of the radial distribution function.

H2O2 Production in Species of the Lactobacillus acidophilus Group: a Central Role for a Novel NADH-Dependent Flavin Reductase

PubMed Central

Hertzberger, Rosanne; Arents, Jos; Dekker, Henk L.; Pridmore, R. David; Gysler, Christof; Kleerebezem, Michiel

2014-01-01

Hydrogen peroxide production is a well-known trait of many bacterial species associated with the human body. In the presence of oxygen, the probiotic lactic acid bacterium Lactobacillus johnsonii NCC 533 excretes up to 1 mM H2O2, inducing growth stagnation and cell death. Disruption of genes commonly assumed to be involved in H2O2 production (e.g., pyruvate oxidase, NADH oxidase, and lactate oxidase) did not affect this. Here we describe the purification of a novel NADH-dependent flavin reductase encoded by two highly similar genes (LJ_0548 and LJ_0549) that are conserved in lactobacilli belonging to the Lactobacillus acidophilus group. The genes are predicted to encode two 20-kDa proteins containing flavin mononucleotide (FMN) reductase conserved domains. Reductase activity requires FMN, flavin adenine dinucleotide (FAD), or riboflavin and is specific for NADH and not NADPH. The Km for FMN is 30 ± 8 μM, in accordance with its proposed in vivo role in H2O2 production. Deletion of the encoding genes in L. johnsonii led to a 40-fold reduction of hydrogen peroxide formation. H2O2 production in this mutant could only be restored by in trans complementation of both genes. Our work identifies a novel, conserved NADH-dependent flavin reductase that is prominently involved in H2O2 production in L. johnsonii. PMID:24487531

The Development of Students' Use of Additive and Proportional Methods along Primary and Secondary School

ERIC Educational Resources Information Center

Fernandez, Ceneida; Llinares, Salvador; Van Dooren, Wim; De Bock, Dirk; Verschaffel, Lieven

2012-01-01

This study investigates the development of proportional and additive methods along primary and secondary school. In particular, it simultaneously investigates the use of additive methods in proportional word problems and the use of proportional methods in additive word problems. We have also studied the role played by integer and non-integer…

The role of pressure in rubber elasticity

NASA Astrophysics Data System (ADS)

Bower, A. F.; Weiner, J. H.

2004-06-01

We describe a series of molecular dynamics computations that reveal an intimate connection at the atomic scale between difference stress (which resists stretches) and pressure (which resists volume changes) in an idealized elastomer, in contrast to the classical theory of rubber elasticity. Our simulations idealize the elastomer as a "pearl necklace," in which the covalent bonds are stiff linear springs, while nonbonded atoms interact through a Lennard-Jones potential with energy εLJ and radius σLJ. We calculate the difference stress t11-(t22+t33)/2 and mean stress (t11+t22+t33)/3 induced by a constant volume extension in the x1 direction, as a function of temperature T and reduced density ρ*=NσIJ3/ν. Here, N is the number of atoms in the simulation cell and ν is the cell volume. Results show that for ρ*<1, the difference stress is purely entropic and is in good agreement with the classical affine network model of rubber elasticity, which neglects nonbonded interactions. However, data presented by van Krevelen [Properties of Polymers, 3rd ed. (Elsevier, Amsterdam, 1990), p. 79] indicate that rubber at standard conditions corresponds to ρ*=1.2. For ρ*>1, the system is entropic for kT/εLJ>2, but at lower temperatures the difference stress contains an additional energy component, which increases as ρ* increases and temperature decreases. Finally, the model exhibits a glass transition for ρ*=1.2 and kT/εLJ≈2. The atomic-scale processes responsible for generating stress are explored in detail. Simulations demonstrate that the repulsive portion of the Lennard-Jones potential provides a contribution σnbr>0 to the difference stress, the attractive portion provides σnba≈0, while the covalent bonds provide σb<0. In contrast, their respective contributions to the mean stress satisfy Πnbr<0, Πnba>0, and Πb<0. Analytical calculations, together with simulations, demonstrate that mean and difference stresses are related by σnbr=-AΠnbr, σb=BΠb, where is a measure of the anisotropy of the orientation of the covalent bonds, and A and B are coefficients that depend weakly on ρ* and temperature. For high values of ρ*, we find that |σnbr|≫|σb|, and in this regime our model predicts behavior that is in good agreement with experimental data of D.L. Quested et al. [J. Appl. Phys. 52, 5977 (1981)] for the influence of pressure on the difference stress induced by stretching solithane.

Insomnia Symptoms and Risk for Unintentional Fatal Injuries—The HUNT Study

PubMed Central

Laugsand, Lars Erik; Strand, Linn B.; Vatten, Lars J.; Janszky, Imre; Bjørngaard, Johan Håkon

2014-01-01

Study Objectives: To assess the association between insomnia symptoms and risk of fatal unintentional injuries. Design: Population-based prospective cohort study with a mean follow-up of 14 y, linking health survey data with information on insomnia symptoms to the National Cause of Death Registry. Setting: Nord-Trøndelag County, Norway. Participants: A total of 54,399 men and women 20-89 y of age who participated in the Nord-Trøndelag Health Study between 1995 and 1997. Interventions: N/A. Measurements and results: There were 277 unintentional fatal injuries, including 57 fatal motor vehicle injuries during follow-up. There was a dose-dependent association between the number of insomnia symptoms and risk of unintentional fatal injuries (P for trend 0.001) and fatal motor vehicle injuries (P for trend 0.023), respectively. The proportion of unintentional fatal injuries cases that could have been prevented in the absence of difficulties initiating sleep, difficulties maintaining sleep, and having a feeling of nonrestorative sleep were 8%, 9%, and 8%, respectively. The corresponding estimates for motor vehicle injuries were 34%, 11%, and 10%. Conclusion: Insomnia is a major contributor to both unintentional fatal injuries in general as well as fatal motor vehicle injuries. Increasing public health awareness about insomnia and identifying persons with insomnia may be important in preventing unintentional fatal injuries. Citation: Laugsand LE, Strand LB, Vatten LJ, Janszky I, Bjørngaard JH. Insomnia symptoms and risk for unintentional fatal injuries—the HUNT Study. SLEEP 2014;37(11):1777-1786. PMID:25364073

Automatic Vehicle Scheduling (AVS) Programmer’s Instruction Manual for the Burroughs B3500 Computers.

DTIC Science & Technology

1981-02-01

N E. Of CAPA:;hINTRK) INCAP AV; TNJ73 170 GO t) 3000 A V.; T NI 1 7 3100 NT=I A V’ NI 17 SUBROUTINE AVSlN 74./74 OPTzg ROUND-*/ YRACE FTN N.lj# 4bD ...bSTOP FRR 6 tD ERR 7 SUFRUUTIKE LNCF(ICEVI ENflF 2 INiTLt.Ei% DATL.02.IPARK.REGPI53l.EPAL1501 ENDF 3 ,RLAL ISHFT ENnF 1 ALPHA INAIIEI5C ).0§IG(501

The Colonels’ Revolt: Eisenhower, The Army, and The Politics of National Security.

DTIC Science & Technology

1994-06-17

stories 7Halbertsam. ibid.; A fictional account of The Revolt serves as a subplot Thomas Fleming, The Officers’ Wives, (New York: Warner Books, 1982) pp...Army A paper submitted to the Faculty of the Naval War College in partial satisfaction of the requirements of the Department of National Security...PAG E la. REPORT SECURITY CLASSIFICATION lb RESTRICTIVE MARKINGS N/ A 2.. S P!LJ I SkS~k’S.TiON AUTHORiTY 3 OISTRI.9UTtON /AVAILABILITY OF REPORT 2b

Lanchester-Type Models of Warfare. Volume I

DTIC Science & Technology

1980-10-01

1 / - -I SLEVEL 0 LANCHESTER-TYPE MODELS OF WARFARE VOLUME I$ by James G. Taylor Professor of Operations Research Naval Postgraduate School Monterey...California a DTIC¢-• 1 tELECTED S• OCT 28 1980 • D bFiFTr--••5i•:hii:rfl 8 00 O 20 01 9 Approved for public 8e0 -.;209-’ )Distribution Unlimited KL...34’:•-~ l,,, I " .. .. .. . . .. ... , . . , • •_. . .• .: _ - •’ .. - ..A ] . ......LJ- srcr.’NTY CL ASS 1CATl.,N OF’ TNH 4 a. , 1 A t HI At) IN .TWV

Manufacturing Information System.

DTIC Science & Technology

1984-12-26

K 21S Nf -J a4 1 *rNJ 4j’ ~a ~ %~a L~’ ~z Q .4 I :1J I In tLj 100. , AID - %-- -7 ,~ ku’ ’.8j pkK4 ~u Ko , jkh~ 9 -j u - 7 Inv A". " .. .Cr . .. "C...space bar to continue’ 7-0 POK.E 1069 0 ’~( 7S0 CMOS = !Nt.EY$ 700 IF CMD$ z 16 THEN 0010 780 - 13’:o IF ChItS =CHRS(271 THEN 010 840 810 IF CMI’S

Alternative Optical Architectures for Multichannel Adaptive Optical Processing

DTIC Science & Technology

1993-04-01

0j +,de 2; j__ -L12 izi j=#1 Pj F2VSIm YS F2 vdI ) N X exp[,2 x (,j + fF,)t]w.-- akx 2 f Fxxp(-j2Xskr W, (16)fsL 2Iu(-LJ:aherir F2VsIJX( 2 fk))r(6 ka...1:512) -off-we); Puss (offset) -1; Rl-Puls8. *31n(2*pi* ([1: 2048 )4phaisrr ./10.24); sukx1la±(221) ,plM (Rl) tit~le ( ’sen chanrnel niqual’) U~sin loop

Identification of Novel Molecular Targets for Pleckstrin Homology (PH) Domains Found in Oncogenes Implicated in Breast Cancer

DTIC Science & Technology

2008-03-01

roles as a positive regulator of IL- 2 gene induction in T cells (Deckert et al, 1998), NK cell-mediated cytotoxicity (Jevremovic et al, 2001), and FcRI...Identification of a gene encoding a human oxysterol-binding protein-homologue: a potential general molecular marker for blood dissemination of solid...Biol. 6(5), 384-385. Scanlan, MJ, Gout , I, Gordon, CM, Williamson, B, Stockert, E, Gure, AO, Jager, D, Chen, YT, Mackay, A, O’Hare, MJ, and Old LJ

Shaped-Based Recognition of 3D Objects From 2D Projections

DTIC Science & Technology

2006-12-01

functions for a typical minimization by the graduated assignment algorithm. (The solid line is E , which uses the Euclid- ean distances to the nearest...of E and E0 generally decrease during the optimiza- tion process, but they can also rise because of changes in the assignment variables Mjk...m+ 1)× (n+ 1) match matrix M that minimizes the objective function E = mX j=1 nX k=1 Mjk ³ d (T (lj) , l 0 k) 2 − δ2 ´ . (7) M defines the

Heuristic Algorithms for Solving Two Dimensional Loading Problems.

DTIC Science & Technology

1981-03-01

L6i MICROCOPY RESOLUTION TEST CHART WTI0WAL BL4WA64OF STANDARDS- 1963-A -~~ le -I I ~- A-LA4C TEC1-NlCAL ’c:LJ? HEURISTIC ALGORITHMS FOR SOLVING...CONSIDER THE FOLLOWjING PROBLEM; ALLOCATE A SET OF ON’ DOXES, EACH HAVING A SPECIFIED LENGTH, WIDTH AND HEIGHT, TO A PALLET OF LENGTH " Le AND WIDTH "W...THE BOXES AND TI-EN-SELECT TI- lE BEST SOLUTION. SINCE THESE HEURISTICS ARE ESSENTIALLY A TRIAL AND ERROR PROCEDURE THEIR FORMULAS BECOME VERY

Developing Inhibitors of Ovarian Cancer Progression by Targeted Disruption of the Gamma-Synuclein Activated Migratory and Survival Signaling Pathways

DTIC Science & Technology

2007-04-01

Golub TR. A molecular signature of metastasis in primary solid tumors. Nat Gene 2003;33:49–54. 2. van’t Verr LJ, Dai H, van de Vijver MJ, et al. Gene...Philadelphia, Pennsylvania 19111 REPORT DATE: April 2007 TYPE OF REPORT: Final PREPARED FOR: U.S. Army Medical Research and... TYPE Final 3. DATES COVERED (From - To) 1 Apr 2003 – 31 Mar 2007 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Developing Inhibitors of Ovarian

Factors Affecting the Use of Competition in Weapon System Acquisition

DTIC Science & Technology

1981-02-01

subsystots and cO *BWILs. The nasultw should be Of interest to defenn acquisitiOn s~nage4rS dad policy-level LjURUUU DOeW ot ti. Acta d lou oicy Eietvsit VOL...personnel. The result is that it can be difficult to maintain all the funding necessary to conduct a comprtitive development program. Co mpetition can slow...8217TO aCt a* tho agent for 0he Govermment int orgmatioig competitti for stipulated subsystu"~ or co ~ootthu& eivn the tP Urugw ofriec of Wmost of tite

Inhibition of Breast Cancer Progression by Blocking Heterocellular Contact between Epithelial Cells and Fibroblasts

DTIC Science & Technology

2012-04-01

0 :.;:; (1J ~ ....... 1.50 --? Z ; () ə> a. - (/) <( 0.75 0 30/30 0 0 1.500 0 1.375 -- c;;V 0 0 ....... (lj ~ 0 ....... (.) 1.250 ə> a...1090. 7. Sadlonova, A.; Novak, Z .; Johnson, M. R.; Bowe, D. B.; Gault, S. R.; Page, G. P.; Thottassery, J. V.; Welch, D. R.; Frost, A. R., Breast...stimulates human breast cancer cell proliferation via FGF2 activation. Journal of Biological Chemistry 2007, 282 (20), 14906-14915. 12. Wozniak , M. A