Understanding cellulose pyrolysis via ab initio deep learning potential field.

Comprehensive and dynamic studies of cellulose pyrolysis reaction mechanisms are crucial in designing experiments and processes with enhanced safety, efficiency, and sustainability. The details of the pyrolysis mechanism are not readily available from experiments but can be better described via molecular dynamics (MD) simulations. However, the large size of cellulose molecules challenges accurate ab initio MD simulations, while existing reactive force field parameters lack precision. In this work, precise ab initio deep learning potentials field (DPLF) are developed and applied in MD simulations to facilitate the study of cellulose pyrolysis mechanisms. The formation mechanism and production rate of both valuable and greenhouse products from cellulose at temperatures larger than 1073 K are comprehensively described. This study underscores the critical role of advanced simulation techniques, particularly DLPF, in achieving efficient and accurate understanding of cellulose pyrolysis mechanisms, thus promoting wider industrial applications.

Evaluation of distal turbulence intensity for the detection of both plaque ulceration and stenosis grade in the carotid bifurcation using clinical Doppler ultrasound.

OBJECTIVES: To determine the interrelationship of stenosis grade and ulceration with distal turbulence intensity (TI) in the carotid bifurcation measured using conventional clinical Doppler ultrasound (DUS) in vitro, in order to establish the feasibility of TI as a diagnostic parameter for plaque ulceration. METHODS: DUS TI was evaluated in a matched set of ulcerated and smooth-walled carotid bifurcation phantoms with various stenosis severities (30, 50, 60 and 70 %), where the ulcerated models incorporated a type 3 ulceration. RESULTS: Post-stenotic TI was significantly elevated owing to ulceration in the mild and moderate stenoses (P < 0.001). TI increased with stenosis severity in both the ulcerated and non-ulcerated series, with a statistically significant effect of increasing stenosis severity (P < 0.001). Whereas TI in the mild and non-ulcerated moderate stenoses was less than 20.4 ± 1.3 cm s(-1), TI in the ulcerated moderate and severe models was higher than 25.6 ± 1.3 cm s(-1), indicating a potential diagnostic threshold. CONCLUSION: We report a two-curve relationship of stenosis grade and ulceration to distal TI measured using clinical DUS in vitro. Clinical DUS measurement of distal TI may be a diagnostic approach to detecting ulceration in the mild and moderately stenosed carotid artery. KEY POINTS: • Patients with carotid artery plaque ulcerations are at higher risk of stroke. • Clinical Doppler ultrasound is routinely used to detect carotid artery stenosis. • Doppler ultrasound turbulence intensity can detect ulceration in realistic flow models. • Turbulence intensity also increases with stenosis severity independent of ulceration. • Doppler ultrasound should help in assessing both stenosis severity and ulceration.

Passive fire protection--a vital safety role.

Callum Maclnnes BSc (Hons), AIFireE, an engineer at WSP UK--part of a global design engineering and management consultancy group specialising in property, transport and infrastructure, industry and environment projects--and his colleague, senior engineer, Richard Rankin CEng MEng (Hons) MIFireE, discuss the importance of passive fire protection in healthcare premises at a time when, due particularly to the difficult financial climate, many hospitals are undergoing upgrading and refurbishment, potentially affording an ideal opportunity to ensure that proper fire compartmentation measures are in place.

Flow patterns in carotid bifurcation models using pulsed Doppler ultrasound: effect of concentric vs. eccentric stenosis on turbulence and recirculation.

Hemodynamics play a significant role in stroke risk, where thrombus formation may be accelerated in regions of slow or recirculating flow, high shear and increased turbulence. An in vitro investigation was performed with pulsed Doppler ultrasound (DUS) using the complete spectral data to investigate the three-dimensional (3-D) distribution of advanced parameters that may have potential for making a more specific in vivo diagnosis of carotid disease and stroke risk. The effect of stenosis symmetry and the potential of DUS spectral parameters for visualizing regions of recirculation or turbulence were explored. DUS was used to map pulsatile flow in four model geometries representing two different plaque symmetries (eccentricity) and two stenosis severities (mild, severe). Qualitative comparisons were made with flow patterns visualized using digital particle imaging. Color-encoded maps of DUS spectral parameters (mean velocity, spectral-broadening index and turbulence intensity) clearly distinguished regions of slow or recirculating flow and disturbed or turbulent flow. Distinctly different flow patterns resulted from stenoses of equal severity but different eccentricity. Noticeable differences were seen in both the size and location of recirculation zones and in the paths of high-velocity jets. Highly elevated levels of turbulence intensity were seen distal to severe stenosis. Results demonstrated the importance of plaque shape, which is typically not considered in standard diagnosis, in addition to stenosis severity.

In vivo Doppler ultrasound quantification of turbulence intensity using a high-pass frequency filter method.

The objective of this investigation was to implement a high-pass frequency filter method to analyze Doppler ultrasound velocity waveforms and quantify turbulence intensity (TI) in vivo. Doppler velocity data were analyzed using two techniques, based on either ensemble averaging or high-pass frequency domain filtering of the periodic waveforms. The accuracy and precision of TI measurements were determined with controlled in vitro experiments, using a pulsatile-flow model of a stenosed carotid bifurcation. The high-pass filter technique was also applied in vivo to determine whether this technique could successfully distinguish between pertinent hemodynamic sites within the carotid artery bifurcation. Twenty-five seconds of Doppler audio data were acquired at three sites (common carotid artery [CCA], internal carotid artery [ICA] stenosis and distal ICA) within 10 human carotid arteries, and repeated three times. Doppler velocity data were analyzed using a ninth-order high-pass Butterworth filter with a 12-Hz inflection point. TI measured within the CCA and distal ICA was found to be significantly different (p < 0.0001) for moderate to nearly occluded carotid artery classifications. Also, TI measured within the distal ICA increased with stenosis severity, with the ability to distinguish between each stenosis class (p < 0.05). This investigation demonstrated the ability to precisely quantify TI using a conventional Doppler ultrasound machine in human subjects, without interfering with normal clinical protocols.

Clinical Doppler ultrasound for the assessment of plaque ulceration in the stenosed carotid bifurcation by detection of distal turbulence intensity: a matched model study.

The assessment of flow disturbances due to carotid plaque ulceration may provide added diagnostic information to Doppler ultrasound (DUS) of the carotid stenosis, and indicate whether the associated hemodynamics are a potential thromboembolic source. We evaluated the effect of ulceration in a moderately stenosed carotid bifurcation on distal turbulence intensity (TI) measured using clinical DUS in matched anthropomorphic models. Several physiologically relevant ulcer geometries (hemispherical, mushroom-shaped, and ellipsoidal pointing distally and proximally) and sizes (2-mm, 3-mm and 4-mm diameter hemispheres) were investigated. An offline analysis was performed to determine several velocity-based parameters from ensemble-averaged spectral data, including TI. Significant elevations in TI were observed in the post-stenotic flow field of the stenosed carotid bifurcation by the inclusion of ulceration (P < 0.001) in a region two common carotid artery diameters distal to the site of ulceration during the systolic peak and the diastolic phase of the cardiac cycle. Both the size and shape of ulceration had a significant effect on TI in the distal region (P < 0.001). Due to the use of a clinical system, this method provides the means to evaluate for plaque ulcerations in patients with carotid atherosclerosis using DUS.

In vitro Doppler ultrasound investigation of turbulence intensity in pulsatile flow with simulated cardiac variability.

An in vitro investigation of turbulence intensity (TI) associated with a severe carotid stenosis in the presence of physiological cardiac variability is described. The objective of this investigation was to determine if fluctuations due to turbulence could be quantified with conventional Doppler ultrasound (DUS) in the presence of normal physiological cycle-to-cycle cardiac variability. An anthropomorphic model of a 70% stenosed carotid bifurcation was used in combination with a programmable flow pump to generate pulsatile flow with a mean flow rate of 6 mL/s. Utilizing the pump, we studied normal, nonrepetitive cycle-to-cycle cardiac variability (+/-3.9%) in flow, as well as waveform shapes with standard deviations equal to 0, 2 and 3 times the normal variation. Eighty cardiac cycles of Doppler data were acquired at two regions within the model, representing either laminar or turbulent flow; each measurement was repeated six times. Turbulence intensity values were found to be 11 times higher (p < 0.001), on average, in the turbulent region than in the laminar region, with a mean difference of 24 cm/s. Twenty cardiac cycles were required for confidence in TI values. In conclusion, these results indicate that it is possible to quantify TI in vitro, even in the presence of normal and exaggerated cycle-to-cycle cardiac variability.

Prospective comparison of magnetic resonance angiography with selective renal angiography for living kidney donor assessment.

OBJECTIVES: For years, the reference standard in the evaluation of living donor vascular anatomy has been selective renal angiography (SRA). Because of the potential morbidity associated with SRA, we prospectively evaluated magnetic resonance angiography (MRA) in the assessment of renal donors. METHODS: All patients had SRA and 53 renal units were prospectively evaluated by MRA. We used SRA supplemented by findings at donor nephrectomy (DN) as our standard. We defined a positive test as the detection of any abnormality in the number of renal arteries. RESULTS: Selective renal angiography yielded a sensitivity of 86%, specificity of 95%, positive predictive value (PPV) of 75%, and negative predictive value (NPV) of 97% compared with findings at DN. MRA had a sensitivity of 64%, 88% specificity, 58% PPV, and 90% NPV. MRA correctly identified only 7 of 11 renal units with accessory arteries. MRA also incorrectly identified 5 accessory arteries not present on SRA or DN. Two patients diagnosed with fibromuscular dysplasia by SRA were missed using MRA. CONCLUSIONS: We have shown that MRA is not capable of replacing SRA as the reference standard in renal donor imaging.

Use of an ultrasound blood-mimicking fluid for Doppler investigations of turbulence in vitro.

Turbulence is an important factor in the assessment of stenotic disease and a possible causative mechanism for thromboembolism. Previous Doppler studies of turbulence have typically used whole-blood preparations or suspensions of erythrocytes. Recently, a water-glycerol based blood-mimicking fluid (BMF) has been developed for use in Doppler ultrasound studies. This fluid has desirable ultrasound properties but it has not previously been described during in vitro investigations of turbulence intensity. We report on investigations of grid-generated and constrained-jet turbulence in an in vitro test system. The BMF was found to generate significant levels of turbulence during steady flow at physiological flow rates, producing turbulent patterns in the distal region that were consistent with previous studies. Turbulence intensity increased significantly with flow rate (p < 0.005) for both the constrained jet and the constrained grid. Based on our observations, we conclude that a water-glycerol based BMF provides a suitable working fluid during in vitro investigations of turbulence using Doppler ultrasound.

The cost of angiography procedures: OHIP gets a bargain.

OBJECTIVE: To determine the costs for 1000 randomized interventional angiographic procedures. METHODS: An 9-page paper form was used to manually record the consumables, technologist time, room occupancy time and recovery room time for 80 different procedures collected over a 2-year period. The average cost for expendables per procedure was calculated for procedures that occurred 5 or more times. RESULTS: Of the 1000 procedures surveyed, there were 20 that had 10 or more occurrences, 9 that occurred 5-9 times and 51 that occurred less than 5 times, of which 32 had only a single occurrence. The total expendables used were $514,008. The total examination time was 1158 hours. The total technologist time was 2493 hours, and the total recovery room time was 1806 hours. Examples of the average cost per procedure are: cerebral angiogram (n = 249), avg. cost $441.24, and transvenous liver biopsy (n = 30), avg. cost $642.89. The coefficient of variation for procedure costs ranged from 15% to 139%. There were no correlations of technician time or procedure technical cost with the date of scan, indicating that there was no systematic increase or decrease in costs over the survey period. There were moderate correlations of the technical cost of a procedure with technologist time (Pearson r = 0.69) and the duration of a procedure (Pearson r = 0.73). The technical costs of interventional procedures were significantly underfunded; the reimbursement from the Ontario Hospital Insurance Plan was $278,446, or 54% of the actual costs. Fourteen procedures were reimbursed at below 50% of their costs. CONCLUSION: This shortfall in funding has serious consequences for the types and numbers of procedures that are possible in radiology departments. Funds must be diverted from other places to prevent serious rationing of these services.

An in vitro system for Doppler ultrasound flow studies in the stenosed carotid artery bifurcation.

To investigate the correlation between disease severity and Doppler spectral measurements in the carotid artery bifurcation, a unique in vitro system has been developed that mimics the human vasculature with respect to both anatomy and flow perfusion. Agar-based carotid phantoms are perfused with a blood-mimicking fluid using a computer-controlled pump and realistic pulsatile flow waveform. A three-axis translational stage allows the lumen to be interrogated with a 0.6-microL Doppler sample volume at the desired spatial intervals using a semiautomated acquisition system, to collect 10 cardiac cycles of gated quadrature data at each site. Off-line analysis, including a 1024-point FFT, produces a 4-D (i.e., time-varying 3-D) Doppler velocity data set with 1.3-cm/s velocity resolution and 12-ms temporal resolution. Using this system, in vitro flow in bifurcations with both normal and stenosed lumen geometry (from 30% to 80% stenosis by NASCET criteria) can be studied, along with the effect of factors, such as stenosis geometry (concentric vs. eccentric) and flow rate, on the observed Doppler ultrasound (US) spectra and haemodynamic patterns.

Results of a multisite study of U.S. residential magnetic fields.

This paper describes the study design, measurement protocols, and results of a project examining residential magnetic-field exposures at eight sites across the contiguous United States. The goal of the project was to investigate surrogates that have been used in epidemiologic studies to characterize residential magnetic-field exposure. These surrogates include: personal-exposure (PE), fixed-location long-term (LT), and outside and inside point-in-time (PIT) magnetic-field measurements; net-service (or ground current) measurements; and the "wire-code category" of the residence. (The latter is a surrogate for magnetic-field exposure based on the nature and proximity of electric power lines outside the house.) Measurements were conducted on four visits to each of eight sites between January 1994 and June 1997 for a study population of 218 single-unit detached dwellings. Information on the residence, residents, and neighborhood was collected. A simple random sample of 392 single-unit detached dwellings at the sites was used to create a weighted sample of houses representative of the population of single-unit residences. The correlations among the various types of 60-Hz magnetic-field measures were relatively strong (Pearson r>0.74, Spearman rho>0.78). Variability of PE and LT measurements, as measured by the standard deviations during a visit, was independent of wire-code category. Visit means for PE, LT, and outside and inside PIT were well correlated over periods between visits of from 1.5 to 20 months (r>0.62, rho>0.76). These results support the use of survey measurements (less demanding than personal monitoring) to represent exposure that occurred up to 20 months in the past. The principal component of the total variance in PE measurements was the between-house variance; between-visit and between-site variances were generally less important. This supports the sampling of many houses with relatively few visits in residential exposure characterization studies. There was a trend for presumably higher wire-code categories to be associated with higher field summary measures for all summary measures related to magnetic-field magnitude, including PE and LT resultant, and inside and outside resultant (60 Hz) and harmonics. However, because of the overlap in field levels between categories, wire code was not a good predictor of magnetic-field levels, accounting for less than 21% of the variance in magnetic-field measurements.

A population-based prospective cohort study of personal exposure to magnetic fields during pregnancy and the risk of miscarriage.

To study the effect of magnetic fields on the risk of miscarriage, we conducted a population-based prospective cohort study among pregnant women within a large health maintenance organization. All women with a positive pregnancy test at less than 10 weeks of gestation and residing in the San Francisco area were contacted for participation in the study. We conducted in-person interviews to obtain information on risk factors for miscarriage and other potential confounders. All participants were also asked to wear a magnetic field-measuring meter for 24 hours and to keep a diary of their activities. Pregnancy outcomes were obtained for all participants by searching the health maintenance organization's databases, reviewing medical charts, and telephone follow-up. We used the Cox proportional hazard model for examining the magnetic field-miscarriage association. A total of 969 subjects were included in the final analyses. Although we did not observe an association between miscarriage risk and the average magnetic field level, miscarriage risk increased with an increasing level of maximum magnetic field exposure with a threshold around 16 milligauss (mG). The rate ratio (RR) associated with magnetic field exposure > or = 16 mG (vs <16 mG) was 1.8 [95% confidence interval (CI) = 1.2-2.7]. The risk remained elevated for levels (in tertiles) of maximum magnetic field exposure > or = 16 mG. The association was stronger for early miscarriages (<10 weeks of gestation) (RR = 2.2, 95% CI = 1.2-4.0) and among "susceptible" women with multiple prior fetal losses or subfertility (RR = 3.1, 95% CI = 1.3-7.7). After excluding women who indicated that their daily activity pattern during the measurements did not represent their typical daily activity during pregnancy, the association was strengthened; RR = 2.9 (95% CI = 1.6-5.3) for maximum magnetic field exposure > or = 16 mG, RR = 5.7 (95% CI = 2.1-15.7) for early miscarriage, and RR = 4.0 (95% CI = 1.4-11.5) among the susceptible women. Our findings provide strong prospective evidence that prenatal maximum magnetic field exposure above a certain level (possibly around 16 mG) may be associated with miscarriage risk. This observed association is unlikely to be due to uncontrolled biases or unmeasured confounders.