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Results for “trajectory analysis”

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PubMed2004

Application of micrometeorological approaches to measure methane exchange in a dry paddy field in the western coast of Korea.

The exchange processes of CH4 were investigated in a paddy field in the Hari area of Kang Hwa Island over an 8 day period in late April 2002. The quantification of CH4 fluxes was made under dry field condition of early spring by concurrently measuring its concentrations (at the two heights of 1 and 5 m) and the relevant micrometeorological parameters. To help elucidate the factors determining the mobilization characteristics of CH4, the results of our measurement data were examined using a number of approaches. The results of the trajectory analysis indicated that its concentration changed very sensitively with the influence of different source types, as seen from the air mass movement patterns. The concentrations and fluxes of methane, when examined over this short-term scale, showed moderately strong patterns across 24h period in which higher values tend to occur during morning or evening. The overall results of our field measurements suggest that CH4 exchange processes in the paddy area proceeded in a fairly complicated manner. The study area behaved as a net source of CH4 to the atmosphere with a net daily emission rate of 3.6 mgm(-2) despite the fact that downward deposition was observed more frequently than upward emission.

Air Pollutants↗

PubMed2005

Organochlorine pesticides in the ambient air of Chiapas, Mexico.

Organochlorine (OC) pesticides were measured in the ambient air of Chiapas, Mexico during 2000-2001. Concentrations of some OC pesticides (DDTs, chlordanes, toxaphene) were elevated compared with levels in the Great Lakes region, while those of other pesticides were not (hexachlorocyclohexanes, dieldrin). While this suggests southern Mexico as a source region for the former group of chemicals, comparably high levels have also been reported in parts of the southern United States, where their suspected sources are soil emissions (DDTs, toxaphene) and termiticide usage (chlordane). Ratios of p,p'-DDT/p,p'-DDE and trans-chlordane/cis-chlordane/trans-nonachlor (TC/CC/TN) in Chiapas suggest a mixture of fresh and weathered sources, while congener profiles of toxaphene suggest emission of old residues from soils. This is supported by air parcel back trajectory analysis, which indicated that air masses over Chiapas at the time of sampling had previously passed over areas of continuing or recent use of some OC pesticides as well as areas of past use.

Air Pollutants↗

PubMed2006

Continental scale passive air sampling of persistent organic pollutants using rapidly equilibrating thin films (POGs).

A novel design of rapidly equilibrating passive air sampler was deployed at 38 sites across 19 European countries to investigate short-term spatial variability of persistent organic pollutants (POPs). Devices were sealed in airtight containers to eliminate the possibility of contamination during transit and couriered to recipients with deployment instructions. Exposure times of 7days permitted the use of back trajectory analysis to further understand the factors responsible for influencing the large-scale spatial distribution of PCBs, PBDEs, PCNs, PAHs, lindane and HCB. Following sampler harvest, devices were sealed and returned for analysis. Comparison of sequestered levels showed that PAHs exhibited the greatest spatial variability (by a factor of 30) with higher levels often associated with greater population density. In contrast, HCB values were much more uniform, reflecting its well mixed distribution in the atmosphere. Spatial variation was strongly influenced by air mass origin, with lower levels being observed at most sites impacted by maritime air masses.

Air Movements↗

PubMed2006

Characterization of gas/particle concentrations and partitioning of polychlorinated biphenyls (PCBs) measured in an urban site of Turkey.

Air concentrations of polychlorinated biphenyls (PCBs) in both gas and particle phases were measured in an urban site (BUTAL-Merinos) of the city of Bursa, Turkey between August 2004 and May 2005. The mean of total (particle+gas) PCB concentrations was about 491.8+/-189.4pg/m(3). The main contributors for PCBs in the sampling site were the local sources and long-range atmospheric transport supported by back trajectory analysis. Lower molecular weight PCB congeners generally dominated in the samples. The particle phase of the measured PCBs accounted for 15% of the total PCB concentrations. Gas/particle distribution was investigated using different approaches such as log K(P)-log P(L)(o), log K(P)-log K(OA) and the Junge-Pankow model. Regression analysis among log K(P), log P(L)(o) and log K(OA) exhibited significant correlation at p<0.05. Correlation between PCB homologs and meteorological parameters was formed to investigate the possible relationships.

Air Movements↗

PubMedDate not supplied

A molecular dynamics study of human serum albumin binding sites.

A 2.0 ns unrestrained Molecular Dynamics was used to elucidate the geometric and dynamic properties of the HSA binding sites. The structure is not stress affected and the rmsds calculated from the published crystallographic data are almost constant for all the simulation time, with an averaged value of 2.4A. The major variability is in the C-terminus region. The trajectory analysis of the IIA binding site put in evidence fast oscillations for the Cgamma@Leu203...Cgamma@Leu275 and Cgamma@Leu219...Cgamma@Leu260 distances, with fluctuations around 250 ps, 1000 ps and over for the first, while the second is smoothly increasing with the simulation time from 7 to 10A. These variations are consistent with a volume increase up to 20% confirmed by the inter-domain contacts analysis, in particular for the pair O@Pro148...Ogamma@Ser283, representing the change of distance between IB-h9 and IIA-h6, O@Glu149...Ogamma@Ser189 for sub-domains IB-h9/IIA-h1 and N@Val339...Odelta2@Asp447 sub-domains IIB-h9/IIIA-h1. These inter-domain motions confirm the flexibility of the unfatted HSA with possible binding site pre-formation.

Binding Sites↗

PubMed2004

Effect of floc structure on the rate of shear coagulation.

We derived a mathematical expression for the temporal evolution of the number of particles due to shear coagulation, covering the later stage by expanding the initial stage approximation to take into account the formation of floc structure. In the derivation, it is assumed that flocculation proceeds through binary collisions between identical fractal flocs. The capture efficiency between flocs is calculated on the basis of trajectory analysis, which is determined by viscous hydrodynamic interaction between flocs and van der Waals attractive forces between two primary particles located at colliding points of flocs. The validity of the derived equation was tested by a coagulation experiment using polystyrene sulfate latex particles under conditions of rapid coagulation. The experiment was carried out in a laminar Couette flow generated in the gap between two concentric cylinders. Careful and direct observation of flocculation under microscopy provided the data on the fractal dimension as well as the temporal evolution of number concentration of flocs. The measured rate of coagulation gradually increases in accordance with the formation of the fractal structure of flocs. This behavior agreed very well with the prediction based on the derived equation.

Journal Article↗

PubMed2005

Simulations of a dielectrophoretic membrane filtration process for removal of water droplets from water-in-oil emulsions.

A novel separation technique based on simultaneous application of AC dielectrophoresis and preferential transport through a semipermeable hydrophilic membrane is proposed for separation of small amounts of emulsified water droplets from a water-in-oil emulsion. Embedding an array of parallel microelectrodes on a membrane matrix, followed by application of an AC potential to these electrodes, can result in capturing the water droplets onto the membranes from the emulsion during a crossflow filtration process. The present paper describes the theoretical principles underlying such a process, and describes a simple mathematical framework based on trajectory analysis for assessing the separation efficiency of such a technique. The results indicate that superimposition of an AC dielectrophoretic field can significantly enhance the preferential transport of the emulsified water through the membrane in a crossflow filtration device. This can lead to a highly efficient continuous separation process for dilute emulsions.

Journal Article↗

PubMed2005

The ionic compositions of fine and coarse particle fractions in the two urban areas of Korea.

The ionic composition of PM2.5 and PM10 was investigated using PM samples collected from Seoul and Busan during the winter of 2002. Based on the measurement data, we attempted to investigate the relative roles of different source processes in the composition of airborne particles at the two distinct urban areas. According to our measurements, the major components of both PM fractions were clearly distinguished from each other at the two different sites. It was found that the ionic concentrations in coarse fractions were generally compatible with each other at the two sites (NH(4)(+), NO(3)(-), NSSS, etc.). However, differences in their concentration levels were significant in the fine fractions and their mass concentration levels in Seoul exhibit threefold enhancement relative to Busan. The results further indicated that anthropogenic signatures were generally more evident in the fine rather than coarse fractions at both sites. However, a comparison of the coarse fraction data indicated the dominance of natural (oceanic) processes at the Busan site and conservative relationships among the different ionic components. The results of the back trajectory analysis confirmed that air mass movement patterns influence the ionic compositions of PM across different particle fractions and between different study sites.

Air Movements↗

PubMed2026

Contact hypersensitivity promotes hair regeneration through SPP1-secreting macrophages.

Allergic contact dermatitis, or contact hypersensitivity (CHS), is a pathological adaptive immune response that paradoxically induces hair regeneration, yet its underlying mechanisms remain unclear. We integrated high-resolution spatial transcriptomics and single-cell RNA sequencing to map the intricate interactions between immune cells, stroma, and hair follicles during CHS-induced hair growth in mice. Among all immunocytes, macrophages underwent the most prominent compositional and functional remodeling. We resolved five transcriptionally distinct macrophage subsets, with contact hypersensitivity driving a shift from homeostatic antigen-presenting cells toward a pro-inflammatory CD14+SPP1+ population. Trajectory analysis revealed divergent differentiation paths under homeostatic versus allergic conditions, highlighting the plasticity of skin macrophages. Mechanistically, CD14+SPP1+ macrophages secreted SPP1 (osteopontin), which engaged CD44 on hair follicle stem cells to activate PI3K-AKT signaling and trigger their proliferation. Notably, canonical pro-inflammatory cytokine signaling through TNF-α and IL-1 was dispensable for this process, underscoring the specificity of the SPP1-CD44 axis in immune-mediated hair regeneration. These findings reveal a macrophage-dependent mechanism of immune-mediated hair regeneration, offering therapeutic insights into immune-stem cell crosstalk.

Journal Article↗

PubMed2006

Hydroxyl groups in the betabeta sandwich of metallo-beta-lactamases favor enzyme activity: Tyr218 and Ser262 pull down the lid.

Metallo-beta-lactamases (MBLs) efficiently hydrolyze and thereby inactivate various beta-lactam antibiotics in clinical use. Their potential to evolve into more efficient enzymes threatens public health. Recently, we have identified the designed F218Y mutant of IMP-1 as an enzyme with superior catalytic efficiency compared to the wild-type. Thus, it may be found in clinical isolates in the future. In an effort to elucidate the molecular mechanisms involved in enhanced activity, we carried out molecular dynamics simulations of ten MBL variants in complex with a cefotaxime intermediate. The stability of these near-transition state enzyme-substrate intermediate complexes was modeled and compared to the experimental catalytic efficiencies k(cat)/K(M). For each of the ten complexes ten independent simulations were performed. In each simulation the temperature was gradually increased and determined upon breakdown of the complex. Rankings based on the experimental catalytic efficiencies and the data from computer simulations were in good agreement. From trajectory analysis of stable simulations, the combination of Tyr218 and Ser262 was found to lead to an altered hydrogen bonding network, which translates into a closing down movement of a beta-hairpin loop covering the active site. These observations may explain the significantly decreased K(M) and increased k(cat)/K(M) values of this variant toward all substrates recently tested in experiment. Previously, we have discovered that mutations G262S (yielding IMP-1) and G262A in IMP-6 stabilize the Zn(II) ligand His263 and thus the enzyme-substrate intermediate complex through a domino effect, which enhances conversion of drugs like ceftazidime, penicillins, and imipenem. Together, the domino effect and the altered beta-hairpin loop conformation explain how IMP-6 can evolve through mutations G262S and F218Y into an enzyme with up to one order of magnitude increased catalytic efficiencies toward these important antibiotics. Furthermore, the previously proposed binding of a third zinc ion close to the active site of IMP-6 mutant S121G was corroborated by our simulations.

Catalysis↗

PubMed2004

Structure-based design and characterization of a Novel IL-6 antagonist peptide.

The development of rational methods to design antagonist peptides based on the 3-D structure of protein active region has, to now, been only marginally successful. This has been largely due to the difficulty of constraining the recognition elements of a mimetic structure to the relative conformational and spatial orientations present in the parent molecule. According to the 3-D complex structure of human interleukin-6 (hIL-6) and its receptor (hIL-6R), a novel antagonist peptide (named PT), which possessed potential bioactivity of hIL-6, was designed by the means of distance geometry, molecular modeling and molecular dynamics trajectory analysis. The bioactivity of the designed peptide (i.e. PT) was evaluated using XG-7 cells, a hIL-6-dependent B-cell line. PT possessed potential bioactivity to antagonize the function of hIL-6 and could efficiently induce the growth arrest and apoptosis of XG-7 cells in a dose-dependent manner.

Amino Acid Sequence↗

PubMed2004

Wet and dry deposition patterns of plutonium in Daejeon, Korea.

Plutonium in wet and dry deposition samples collected monthly at the Korea Institute of Nuclear Safety (KINS), Daejeon, Korea was determined during the period from January 2000 to August 2000. Monthly 239,240Pu deposition in Korea showed a maximum in the spring season (March to May), which was several times greater than that in Japan and corresponds to a seasonal cycle of soil dust fallout originating from the East Asian arid areas. The trajectory analysis of dust storms suggests that 239,240Pu deposition in Korea in spring is originating from plutonium-bearing surface soil particles from the East Asian arid areas. A significant part of the 239,240Pu deposition in spring in Korea is attributable to dry deposition.

Air Movements↗

PubMed2005

Trends in aerosol optical depth in the Russian Arctic and their links with synoptic climatology.

Temporal and spatial variability of aerosol optical depth (AOD) are examined using observations of direct solar radiation in the Eurasian Arctic for 1940-1990. AOD is estimated using empirical methods for 14 stations located between 66.2 degrees N and 80.6 degrees N, from the Kara Sea to the Chukchi Sea. While AOD exhibits a well-known springtime maximum and summertime minimum at all stations, atmospheric turbidity is higher in spring in the western (Kara-Laptev) part of the Eurasian Arctic. Between June and August, the eastern (East Siberian-Chukchi) sector experiences higher transparency than the western part. A statistically significant positive trend in AOD was observed in the Kara-Laptev sector between the late 1950s and the early 1980s predominantly in spring when pollution-derived aerosol dominates the Arctic atmosphere but not in the eastern sector. Although all stations are remote, those with positive trends are located closer to the anthropogenic sources of air pollution. By contrast, a widespread decline in AOD was observed between 1982 and 1990 in the eastern Arctic in spring but was limited to two sites in the western Arctic. These results suggest that the post-1982 decline in anthropogenic emissions in Europe and the former Soviet Union has had a limited effect on aerosol load in the Arctic. The post-1982 negative trends in AOD in summer, when marine aerosol is present in the atmosphere, were more common in the west. The relationships between AOD and atmospheric circulation are examined using a synoptic climatology approach. In spring, AOD depends primarily on the strength and direction of air flow. Thus strong westerly and northerly flows result in low AOD values in the East Siberian-Chukchi sector. By contrast, strong southerly flow associated with the passage of depressions results in high AOD in the Kara-Laptev sector and trajectory analysis points to the contribution of industrial regions of the sub-Arctic. In summer, low pressure gradient or anticyclonic conditions result in high atmospheric turbidity. The frequency of this weather type has declined significantly since the early 1980s in the Kara-Laptev sector, which partly explains the decline in summer AOD values.

Aerosols↗

PubMed2005

Plutonium in the air in Kurchatov, Kazakhstan.

Weekly air samples of 25000 m(3) volume were taken with two air samplers over a period of one year in 2000-2001 in the town of Kurchatov in Kazakhstan. For another three-month period in 2001, the samplers were run in the city of Astana, about 500 km west of Kurchatov. (137)Cs, Pu and U concentrations were determined from the filters. Pu activities in Kurchatov varied in a 100-fold range; median (239,240)Pu activities were 100 nBq/m(3) and (238)Pu activities 34 nBq/m(3). The corresponding values for Astana were considerably lower: 29 and 9 nBq/m(3), respectively, and in half of the filters the (238)Pu activity was below the detection limit. Plutonium concentration correlated with the amount of dust retained on the filters only at the highest dust loads. Also no correlation between wind speed and the plutonium activity in the filters was observed. Thus, resuspension does not seem to be the mechanism responsible for the airborne plutonium. No clear seasonal variation of Pu air concentration was observed, though levels were somewhat elevated in February to April. There was no correlation between the plutonium and (137)Cs concentrations. In most of the filters the cesium concentration was below the detection limit, but in those filters where it could be detected the cesium concentration was practically constant at 3.9+/-1.6 microBq/m(3). Dose estimation for the inhalation of the airborne plutonium gave a low value of 0.018 microSv/a for the inhabitants in Kurchatov, which is about a thousand times lower than the dose caused by the naturally occurring (210)Po. Air parcel trajectory analysis indicated that the observed Pu activities in the air could not unambiguously be attributed to the most contaminated areas at the Semipalatinsk Test Site.

Air Pollutants, Radioactive↗

PubMed2004

A new type of parts feeder driven by bimorph piezo actuator.

A novel meander-line structure implemented with bimorph piezoelectric actuators driven by two sets of alternating current power with phase difference is developed in this article. Via the generated traveling wave, this mechanism is able to transport parts. The dynamic modeling of the structure, the driving control circuitry design, the motion trajectory analysis and the optimal transport feed rate is studied, and also verified by the practical experiment.

Journal Article↗

PubMed2006

Identification of laser-generated ultrasounds in the response of the cylinder over time and space.

A theoretical solution is presented to identify laser-generated ultrasounds in the transient response over time and space of a cylinder impacted by a laser line pulse. Theoretical radial displacements at various observation angles are obtained for an aluminum cylinder under thermoelastic regime. The corresponding displacements are observed experimentally by the laser ultrasonic technique. Good agreement is found in the time arrival, shape and relative amplitude of surface waves and various longitudinal and transverse bulk waves. These laser-generated ultrasounds are further identified by the ray trajectory analysis. This work will be helpful for the inverse problem of the nondestructive evaluation of cylinder parts.

Journal Article↗

PubMed2006

Acoustic waves generated by a laser line pulse in a hollow cylinder.

A theoretical solution is proposed to predict acoustic waves generated in a homogeneous and isotropic hollow cylinder by a laser line source under either ablation or thermoelastic regime. The Fourier series expansion is introduced for one spatial coordinate to solve this transient response problem. Theoretical displacements are obtained in both regimes for aluminum hollow cylinders with various thickness including a rod of the same size. The corresponding displacements are observed experimentally by the laser ultrasonic technique. Agreement has been found in the time arrival, shape and relative amplitude of surface waves and various longitudinal and transverse bulk waves. These acoustic waves are further identified by the ray trajectory analysis. This work will be helpful when dealing with the inverse problem of the nondestructive evaluation of hollow cylindrical parts.

Journal Article↗

PubMed2005

Capture of water-borne colloids in granular beds using external electric fields: improving removal of Cryptosporidium parvum.

Suboptimal coagulation in water treatment plants often results in reduced removal efficiency of Cryptosporidium parvum oocysts by several orders of magnitude (J. AWWA 94(6) (2002) 97, J. AWWA 93(12) (2001) 64). The effect of external electric field on removal of C. parvum oocysts in packed granular beds was studied experimentally. A cylindrical configuration of electrodes, with granular media in the annular space was used. A negative DC potential was applied to the central electrode. No coagulants or flocculants were used and filtration was performed with and without application of an electric field to obtain improvement in removal efficiency. Results indicate that removal of C. parvum increased from 10% to 70% due to application of field in fine sand media and from 30% to 96% in MAGCHEM media. All other test particles (Kaolin and polystyrene latex microspheres) used in the study also exhibited increased removal in the presence of an electric field. Single collector efficiencies were also computed using approximate trajectory analysis, modified to account for the applied external electric field. The results of these calculations were used to qualitatively explain the trends in the experimental observations.

Animals↗