Two-dimensional nuclear magnetic resonance at 500 MHz: the structural elucidation of a Salmonella serogroup N polysaccharide antigen

1986 ◽  
Vol 64 (2) ◽  
pp. 255-264 ◽  
Author(s):  
David R. Bundle ◽  
Manfred Gerken ◽  
Malcolm B. Perry

High resolution 1H and 13C nmr spectroscopy at 500 MHz and 125 MHz was used for the structural analysis of the O-antigen of Salmonellalandau, which belongs to the Kauffmann–White serogroup N. This bacterial lipopolysaccharide was extracted from whole cells and hydrolyzed by mild acid to give lipid-free O-polysaccharide. Conventional one-dimensional 1H and 13C nmr data showed the polysaccharide to contain four monosaccharides in each repeating unit and, in addition, to carry an average of one O-acetyl group for every two repeating units. Two-dimensional nmr experiments aided the unambiguous assignment of the 1H and 13C resonances and thereby permitted the structural analysis of this polysaccharide by nmr techniques alone. The structure of the de-O-acetylated repeating unit was established as [Formula: see text][Formula: see text] through the use of methods which included homonuclear shift correlated (COSY and NOESY) experiments. The interpretation of this data was supported and simplified by consideration of firmly established 13C chemical shift assignments obtained from a heteronuclear 1H/13C shift correlated experiment. A three-dimensional model of the O-antigen obtained by semi-empirical calculations is shown to be consistent with interatomic distance constraints imposed by data from 2-D NOESY and one-dimensional nOe difference spectroscopy.

2019 ◽  
Vol 8 (1) ◽  
pp. 49-57
Author(s):  
Waclaw Petrynski

The author presents an attempt at joining the concepts of intelligence by R.B. Cattell and attention by R.M. Nideffer, and including them into a system of a motor operation production, from stimulus reception through movements’ execution. Such a system may be presented as the movements’ management matrix. Joining the two-dimensional concept of attention by Nideffer and one-dimensional concept of intelligence by Cattell results with creation of a three-dimensional model of intellect. The latter makes the central component of the “main production unit” of a motor operation, consisting of three “working” mechanisms (attention, intellect, and foresight) and two auxiliary ones (motivation and decision). Author presents the model of a three-dimensional intellect in the context of the movements’ management matrix and the modalities’ ladder, based on theory by N.A. Bernstein.


Three- and two-dimensional model results have been averaged to investigate conceptual errors in two- and one-dimensional models. Average dynamical quantities show inter-hemispheric asymmetries in both mean and eddy vertical motions, with anomalous behaviour of tracers near effective source and sink regions. Zonal, hemispheric and global means of the rates of gas reactions show large deviations between terms like k : [A] [B] and k : [A] [B], causing significant errors in two- and one-dimensional model calculations. These errors are often associated with dynamical features such as jet streams or the tropopause, and affect the entire model atmospheres except in the summer mid-stratosphere. It is concluded that correlated measurements of atmospheric molecular number densities are urgently required to understand the deficiencies in models, which have been widely used to make perturbation calculations of the effects of aircraft and chloro-fluoromethanes on stratospheric ozone. The sources of error described in this work arise from inadequacies in the formulation of one- and two-dimensional models, rather than from uncertainties in the input data, and have not been included in published error analyses.


A three-dimensional model of crystal growth-disorder is described. It is shown that imposition of m 3 m symmetry on the model results in the same reduction to essentially one dimensional properties, as occurs in pre­viously described work in two dimensions. The probability parameter space is subject to more stringent restrictions than for the corresponding two dimensional model and only realizations with nearest-neighbour two-point correlations less than √2 -1 can occur. For zero two-point corre­lation a considerable degree of variation in multi-point properties is possible. The three-dimensional distributions are shown to have Markov chains embedded in them.


2021 ◽  
pp. 205141582110002
Author(s):  
Lorenz Berger ◽  
Aziz Gulamhusein ◽  
Eoin Hyde ◽  
Matt Gibb ◽  
Teele Kuusk ◽  
...  

Objective: Surgical planning for robotic-assisted partial nephrectomy is widely performed using two-dimensional computed tomography images. It is unclear to what extent two-dimensional images fully simulate surgical anatomy and case complexity. To overcome these limitations, software has been developed to reconstruct three-dimensional models from computed tomography data. We present the results of a feasibility study, to explore the role and practicality of virtual three-dimensional modelling (by Innersight Labs) in the context of surgical utility for preoperative and intraoperative use, as well as improving patient involvement. Methods: A prospective study was conducted on patients undergoing robotic-assisted partial nephrectomy at our high volume kidney cancer centre. Approval from a research ethics committee was obtained. Patient demographics and tumour characteristics were collected. Surgical outcome measures were recorded. The value of the three-dimensional model to the surgeon and patient was assessed using a survey. The prospective cohort was compared against a retrospective cohort and cases were individually matched using RENAL (radius, exophytic/endophytic, nearness to collecting system or sinus, anterior/posterior, location relative to polar lines) scores. Results: This study included 22 patients. Three-dimensional modelling was found to be safe for this prospective cohort and resulted in good surgical outcome measures. The mean (standard deviation) console time was 158.6 (35) min and warm ischaemia time was 17.3 (6.3) min. The median (interquartile range) estimated blood loss was 125 (50–237.5) ml. Two procedures were converted to radical nephrectomy due to the risk of positive margins during resection. The median (interquartile range) length of stay was 2 (2–3) days. No postoperative complications were noted and all patients had negative surgical margins. Patients reported improved understanding of their procedure using the three-dimensional model. Conclusion: This study shows the potential benefit of three-dimensional modelling technology with positive uptake from surgeons and patients. Benefits are improved perception of vascular anatomy and resection approach, and procedure understanding by patients. A randomised controlled trial is needed to evaluate the technology further. Level of evidence: 2b


2002 ◽  
Vol 12 (4) ◽  
pp. 1044-1052 ◽  
Author(s):  
Amitava Choudhury ◽  
S. Neeraj ◽  
Srinivasan Natarajan ◽  
C. N. R. Rao

2008 ◽  
Vol 62 (1) ◽  
Author(s):  
Peter C. Chu

The Navy’s mine impact burial prediction model creates a time history of a cylindrical or a noncylindrical mine as it falls through air, water, and sediment. The output of the model is the predicted mine trajectory in air and water columns, burial depth/orientation in sediment, as well as height, area, and volume protruding. Model inputs consist of parameters of environment, mine characteristics, and initial release. This paper reviews near three decades’ effort on model development from one to three dimensions: (1) one-dimensional models predict the vertical position of the mine’s center of mass (COM) with the assumption of constant falling angle, (2) two-dimensional models predict the COM position in the (x,z) plane and the rotation around the y-axis, and (3) three-dimensional models predict the COM position in the (x,y,z) space and the rotation around the x-, y-, and z-axes. These models are verified using the data collected from mine impact burial experiments. The one-dimensional model only solves one momentum equation (in the z-direction). It cannot predict the mine trajectory and burial depth well. The two-dimensional model restricts the mine motion in the (x,z) plane (which requires motionless for the environmental fluids) and uses incorrect drag coefficients and inaccurate sediment dynamics. The prediction errors are large in the mine trajectory and burial depth prediction (six to ten times larger than the observed depth in sand bottom of the Monterey Bay). The three-dimensional model predicts the trajectory and burial depth relatively well for cylindrical, near-cylindrical mines, and operational mines such as Manta and Rockan mines.


1976 ◽  
Vol 54 (14) ◽  
pp. 1454-1460 ◽  
Author(s):  
T. Tiedje ◽  
R. R. Haering

The theory of ultrasonic attenuation in metals is extended so that it applies to quasi one and two dimensional electronic systems. It is shown that the attenuation in such systems differs significantly from the well-known results for three dimensional systems. The difference is particularly marked for one dimensional systems, for which the attenuation is shown to be strongly temperature dependent.


2021 ◽  
Author(s):  
Daria Gladskikh ◽  
Evgeny Mortikov ◽  
Victor Stepanenko

<p>The study of thermodynamic and biochemical processes of inland water objects using one- and three-dimensional RANS numerical models was carried out both for idealized water bodies and using measurements data. The need to take into account seiche oscillations to correctly reproduce the deepening of the upper mixed layer in one-dimensional (vertical) models is demonstrated. We considered the one-dimensional LAKE model [1] and the three-dimensional model [2, 3, 4] developed at the Research Computing Center of Moscow State University on the basis of a hydrodynamic code combining DNS/LES/RANS approaches for calculating geophysical turbulent flows. The three-dimensional model was supplemented by the equations for calculating biochemical substances by analogy with the one-dimensional biochemistry equations used in the LAKE model. The effect of mixing processes on the distribution of concentration of greenhouse gases, in particular, methane and oxygen, was studied.</p><p>The work was supported by grants of the RF President’s Grant for Young Scientists (MK-1867.2020.5, MD-1850.2020.5) and by the RFBR (19-05-00249, 20-05-00776). </p><p>1. Stepanenko V., Mammarella I., Ojala A., Miettinen H., Lykosov V., Timo V. LAKE 2.0: a model for temperature, methane, carbon dioxide and oxygen dynamics in lakes // Geoscientific Model Development. 2016. V. 9(5). P. 1977–2006.<br>2. Mortikov E.V., Glazunov A.V., Lykosov V.N. Numerical study of plane Couette flow: turbulence statistics and the structure of pressure-strain correlations // Russian Journal of Numerical Analysis and Mathematical Modelling. 2019. 34(2). P. 119-132.<br>3. Mortikov, E.V. Numerical simulation of the motion of an ice keel in stratified flow // Izv. Atmos. Ocean. Phys. 2016. V. 52. P. 108-115.<br>4. Gladskikh D.S., Stepanenko V.M., Mortikov E.V. On the influence of the horizontal dimensions of inland waters on the thickness of the upper mixed layer // Water Resourses. 2021.V. 45, 9 pages. (in press) </p>


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