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91.
Numerical models of wind-driven circulation in lakes 总被引:1,自引:0,他引:1
The state-of-the-art of numerical modelling of large-scale wind-driven circulation in lakes is presented. The governing equations which describe this motion are discussed along with the appropriate numerical techniques necessary to solve them in lakes. The numerical models are categorized into three large primary groups: the layered models, the Ekman-type models, and the other three-dimensional models. Discussions and comparison of models are given and future research directions are suggested. 相似文献
92.
93.
Dr. Kritika Bajaj Dr. Sarah A. Andres Dr. Dillon T. Hofsommer Okolocha Chekwube Michael Dr. Mark S. Mashuta Prof. Paula J. Bates Prof. Robert M. Buchanan Prof. Craig A. Grapperhaus 《欧洲无机化学杂志》2023,26(34):e202300447
A series of isomeric bis(alkylthiocarbamate) copper complexes have been synthesized, characterized, and evaluated for antiproliferation activity. The complexes were derived from ligand isomers with 3-methylpentyl (H2L2) and cyclohexyl (H2L3) backbone substituents, which each yield a pair of linkage isomers. The thermodynamic products CuL2a/3a have two imino N and two S donors resulting in three five-member chelate rings (555 isomers). The kinetic isomers CuL2b/3b have one imino and one hydrazino N donor and two S donors resulting in four-, six-, and five-member rings (465 isomers). The 555 isomers have more accessible CuII/I potentials (E1/2=−811/−768 mV vs. ferrocenium/ferrocene) and lower energy charge transfer bands than their 465 counterparts (E1/2=−923/-854 mV). Antiproliferation activities were evaluated against the lung adenocarcinoma cell line (A549) and nonmalignant lung fibroblast cell line (IMR-90) using the MTT assay. CuL2a was potent (A549EC50=0.080 μM) and selective (IMR-90EC50/A549EC50=25) for A549. Its linkage isomer CuL2b had equivalent A549 activity, but lower selectivity (IMR-90EC50/A549EC50=12.5). The isomers CuL3a and CuL3b were less potent with A549EC50 values of 1.9 and 0.19 M and less selective with IMR-90EC50/A549EC50 ratios of 2.3 and 2.65, respectively. There was no correlation between reduction potential and A549 antiproliferation activity/selectivity. 相似文献
94.
Long Yuan Li Ma Lisa Dillon R. Marcus Fancher Huadong Sun Mingshe Zhu Lois Lehman-McKeeman Anne-Françoise Aubry Qin C. Ji 《Analytica chimica acta》2016
LC-MS/MS has been widely applied to the quantitative analysis of tissue samples. However, one key remaining issue is that the extraction recovery of analyte from spiked tissue calibration standard and quality control samples (QCs) may not accurately represent the “true” recovery of analyte from incurred tissue samples. This may affect the accuracy of LC-MS/MS tissue bioanalysis. Here, we investigated whether the recovery determined using tissue QCs by LC-MS/MS can accurately represent the “true” recovery from incurred tissue samples using two model compounds: BMS-986104, a S1P1 receptor modulator drug candidate, and its phosphate metabolite, BMS-986104-P. We first developed a novel acid and surfactant assisted protein precipitation method for the extraction of BMS-986104 and BMS-986104-P from rat tissues, and determined their recoveries using tissue QCs by LC-MS/MS. We then used radioactive incurred samples from rats dosed with 3H-labeled BMS-986104 to determine the absolute total radioactivity recovery in six different tissues. The recoveries determined using tissue QCs and incurred samples matched with each other very well. The results demonstrated that, in this assay, tissue QCs accurately represented the incurred tissue samples to determine the “true” recovery, and LC-MS/MS assay was accurate for tissue bioanalysis. Another aspect we investigated is how the tissue QCs should be prepared to better represent the incurred tissue samples. We compared two different QC preparation methods (analyte spiked in tissue homogenates or in intact tissues) and demonstrated that the two methods had no significant difference when a good sample preparation was in place. The developed assay showed excellent accuracy and precision, and was successfully applied to the quantitative determination of BMS-986104 and BMS-986104-P in tissues in a rat toxicology study. 相似文献
95.
Advancement in rapid targeted chemical analysis of homemade and improvised explosive devices is critical for the identification of explosives-based hazards and threats. Gradient elution moving boundary electrophoresis (GEMBE), a robust electrokinetic separation technique, was employed for the separation and detection of common inorganic oxidizers from frequently encountered fuel-oxidizer mixtures. The GEMBE system incorporated sample and run buffer reservoirs, a short capillary (5 cm), an applied electric field, and a pressure-driven counterflow. GEMBE provided a separation format that allowed for continuous injection of sample, selectivity of analytes, and no sample cleanup or filtration prior to analysis. Nitrate, chlorate, and perchlorate oxidizers were successfully detected from low explosive propellants (e.g., black powders and black powder substitutes), pyrotechnics (e.g., flash powder), and tertiary explosive mixtures (e.g., ammonium nitrate- and potassium chlorate-based fuel-oxidizer mixtures). Separation of these mixtures exhibited detection without interference from a plethora of additional organic and inorganic fuels, enabled single particle analysis, and demonstrated semiquantitative capabilities. The bulk counterflow successfully excluded difficult components from fouling the capillary, yielding estimated limits of detection down to approximately 10 μmol/L. Finally, nitrate was separated and detected from postblast debris collected and directly analyzed from two nitrate-based charges. 相似文献
96.
Joseph Dillon 《Journal of mathematical chemistry》2017,55(8):1548-1588
Techniques developed for investigating nonadiabatic processes in molecular systems are adapted to study the structure and properties of holomorphic and meromorphic functions of a complex variable, \(f(z)=\mathfrak {R}(f)+i\,\mathfrak {I}(f)\). The connection is that \(\mathfrak {R}(f)\) and \(\mathfrak {I}(f)\) are correlated two-dimensional scalar functions, interrelated by the Cauchy–Riemann equations. Exploiting this fact, it is demonstrated that \(\mathfrak {R}(f)\) and \(\mathfrak {I}(f)\) of f can be envisaged in Euclidean \({\mathbb {R}}^{3}\) space as a two-state set of constrained, intersecting two-dimensional potential energy surfaces (PESs), called the graph of f. Importantly, the analytic and algebraic properties of f dictate the geometric structure evinced in the graph of f. This parallels multi-state sets of higher-dimensional, constrained, intersecting PESs linked with correlated electronic eigenstates of the parameterized molecular Hamiltonian operator. In view of this association, the language and mathematical infrastructure devised by chemists for discussing and analyzing intersections in higher-dimensional PESs are suitably modified for f. Notably, an algorithm capable of optimizing roots and poles of f through analysis of the real, two-dimensional \(\mathfrak {R}(f)\) and \(\mathfrak {I}(f)\) functions is derived, which is based on intersection-adapted coordinate and constrained Lagrangian methodologies. As constrained, intersecting PESs are indispensible for conceptualizing and characterizing the physics governing nonadiabatic phenomena, f represents a foundational bridge to these more abstract constructions. 相似文献
97.
Multiwall carbon nanotubes (MWNTs) were applied in a bulk layer to a pyroelectric film to increase the detector sensitivity nearly fourfold without a substantial penalty to the low-frequency response (4-100 Hz). In addition, the spectral sensitivity over the wavelength range from 600 to 1800 nm was uniformly enhanced, with variations less than 1%. The results demonstrate the suitability of MWNTs as an efficient thermal absorber having low thermal mass. 相似文献
98.
Non-enzymatic nitrite induced collagen cross-linking results in changes reminiscent of age-related damage and parallels the well-known model system, non-enzymatic glycation. We have recently observed that nitrite modification of basement membrane proteins can induce deleterious effects on overlying retinal pigment epithelial cells in studies relevant to age-related macular degeneration. The present work was undertaken in order to confirm 3-nitro-tyrosine (3-NT) as a product of the reaction and to identify the site specificity of nitration in collagen IV, a major component of basement membranes. Human collagen type IV was modified via incubation with 200 mM NaNO(2) (pH=7.38) for one week at 37(o)C. The modified protein was prepared in 2 different ways, including acid hydrolysis and trypsin digestion for site specificity determination. The samples were analyzed by LC/MS using a C(12) RP column. Site specificity was determined from tandem MS/MS data utilizing TurboSEQUEST software and the Swiss-Prot sequence database. 3-NT was detected in protein digests and acid hydrolysates of nitrite modified collagen IV. Positive identification with standard 3-NT was confirmed by identical R(t), lambda(max)=279 nm and 355 nm, and m/z=227. Analyses of tryptic digests identified four sites of tyrosine nitration, alpha1(IV)Y348, alpha1(IV)Y534, alpha2(IV)Y327, and alpha2(IV)Y1081. These sites are located in the triple-helical region of the protein and provide clues regarding potential sites for nitrite modification in collagen type IV. 相似文献
99.
Devi Kalyan Karumanchi Elizabeth R. Gaillard James Dillon 《Photochemistry and photobiology》2015,91(6):1497-1504
Diabetes mellitus is a metabolic disorder characterized by high blood sugar levels which give rise to complications in the eye, kidneys and the brain. Diabetes triggers the development of ocular diseases like diabetic retinopathy and cataracts which are the leading cause of blindness around the world. The most common method for the diagnosis of diabetes involves measuring the blood sugar levels in the body. One major disadvantage of this method is the fluctuating blood sugar levels which contribute to false negative results. This leads to delay in treatment, eventually causing permanent damage to the organs. Therefore, diagnosis of diabetes at an early stage is very crucial. One biomarker for diabetes related diseases is the formation of Advanced Glycation End‐products (AGEs) that result from the Maillard reaction of proteins with glucose. α‐crystallin in the ocular lens is a small heat shock protein with no protein turnover and hence acts as a record for post‐translational modifications especially glycation which forms AGEs. We have used steady state and time resolved fluorescence measurements to study the spectroscopic changes in α‐crystallin with increase in time of glycation and the intact lenses from diabetic and nondiabetic donors. Overall, this study was focused on developing a noninvasive diagnostic tool for early detection of diabetes mellitus. 相似文献
100.
Mandel K Dillon F Koos AA Aslam Z Jurkschat K Cullen F Crossley A Bishop H Moh K Cavelius C Arzt E Grobert N 《Chemical communications (Cambridge, England)》2011,47(14):4108-4110
Monodisperse, size-controlled Ni-P nanoparticles were synthesised in a single step process using triphenyl-phosphane (TPP), oleylamine (OA), and Ni(II)acetyl-acetonate. The nanoparticles were amorphous, contained ~30 at% P and their size was controlled between 7-21 nm simply by varying the amount of TPP. They are catalytically active for tailored carbon nanotube growth. 相似文献