Search

Purpose: Use deep learning (DL) to automate the measurement and tracking of kidney stone burden over serial CT scans. Materials and Methods: This retrospective study included 259 scans from 113 symptomatic patients being treated for urolithiasis at a single medical center between 2006 and 2019. These patients underwent a standard low-dose noncontrast CT scan followed by ultra-low-dose CT scans limited to the level of the kidneys. A DL model was used to detect, segment, and measure the volume of all stones in both initial and follow-up scans. The stone burden was characterized by the total volume of all stones in a scan (SV). The absolute and relative change of SV, (SVA and SVR, respectively) over serial scans were computed. The automated assessments were compared with manual assessments using concordance correlation coefficient (CCC), and their agreement was visualized using Bland–Altman and scatter plots. Results: Two hundred twenty-eight out of 233 scans with stones were identified by the automated pipeline; per-scan sensitivity was 97.8% (95% confidence interval [CI]: 96.0–99.7). The per-scan positive predictive value was 96.6% (95% CI: 94.4–98.8). The median SV, SVA, and SVR were 476.5 mm3, −10 mm3, and 0.89, respectively. After removing outliers outside the 5th and 95th percentiles, the CCC measuring agreement on SV, SVA, and SVR were 0.995 (0.992–0.996), 0.980 (0.972–0.986), and 0.915 (0.881–0.939), respectively Conclusions: The automated DL-based measurements showed good agreement with the manual assessments of the stone burden and its interval change on serial CT scans. [ABSTRACT FROM AUTHOR]

Purpose: Early detection and size quantification of renal calculi are important for optimizing treatment and preventing severe kidney stone disease. Prior work has shown that volumetric measurements of kidney stones are more informative and reproducible than linear measurements. Deep learning‐based systems that use abdominal noncontrast computed tomography (CT) scans may assist in detection and reduce workload by removing the need for manual stone volume measurement. Prior to this work, no such system had been developed for use on noisy low‐dose CT or tested on a large‐scale external dataset. Methods: We used a dataset of 91 CT colonography (CTC) scans with manually marked kidney stones combined with 89 CTC scans without kidney stones. To compare with a prior work half the data was used for training and half for testing. A set of CTC scans from 6185 patients from a separate institution with patient‐level labels were used as an external validation set. A 3D U‐Net model was employed to segment the kidneys, followed by gradient‐based anisotropic denoising, thresholding, and region growing. A 13 layer convolutional neural network classifier was then applied to distinguish kidney stones from false positive regions. Results: The system achieved a sensitivity of 0.86 at 0.5 false positives per scan on a challenging test set of low‐dose CT with many small stones, an improvement over an earlier work that obtained a sensitivity of 0.52. The stone volume measurements correlated well with manual measurements (r2=0.95$r^2 = 0.95$). For patient‐level classification, the system achieved an area under the receiver‐operating characteristic of 0.95 on an external validation set (sensitivity = 0.88, specificity = 0.91 at the Youden point). A common cause of false positives were small atherosclerotic plaques in the renal sinus that simulated kidney stones. Conclusions: Our deep‐learning‐based system showed improvements over a previously developed system that did not use deep learning, with even higher performance on an external validation set. [ABSTRACT FROM AUTHOR]

Traditionally, atherosclerotic risk factors for cardiovascular disease and cancer are assessed using coronary artery calcium scoring. However, this neglects the impact of atherosclerotic disease more proximal to the cancer site. This study assesses whether aortoiliac atherosclerotic plaque is associated with prostate cancer. The dataset consisted of abdominopelvic CT of 93 patients with prostate cancer and 186 asymptomatic patients who underwent CT colonography as an age- and gender-matched control group. Agatston scores were measured in the abdominal aorta, common iliac, and internal iliac arteries. The scores were evaluated for associations with age, Framingham risk score, and prostate cancer-related biomarkers, including prostate-specific antigen, Gleason score, tumor location, prostatectomy, androgen deprivation therapy, mortality, and bone metastasis. The atherosclerotic plaque of prostate cancer patients did not differ from the control group (p = 0.22) and was not correlated with any of the prostate cancer-related biomarkers (p > 0.05). However, Agatston scores of abdominal plaques correlated well with age (p < 0.001) and Framingham risk scores (p = 0.002). [ABSTRACT FROM AUTHOR]

It is now established that nuclear quantum motion plays an important role in determining water's hydrogen bonding, structure, and dynamics. Such effects are important to include in density functional theory (DFT) based molecular dynamics simulation of water. The standard way of treating nuclear quantum effects, path integral molecular dynamics (PIMD), multiplies the number of energy/force calculations by the number of beads required. In this work we introduce a method whereby PIMD can be incorporated into a DFT simulation with little extra cost and little loss in accuracy. The method is based on the many body expansion of the energy and has the benefit of including a monomer level correction to the DFT energy. Our method calculates intramolecular forces using the highly accurate monomer potential energy surface developed by Partridge–Schwenke, which is cheap to evaluate. Intermolecular forces and energies are calculated with DFT only once per timestep using the centroid positions. We show how our method may be used in conjunction with a multiple time step algorithm for an additional speedup and how it relates to ring polymer contraction and other schemes that have been introduced recently to speed up PIMD simulations. We show that our method, which we call “monomer PIMD”, correctly captures changes in the structure of water found in a full PIMD simulation but at much lower computational cost. [ABSTRACT FROM AUTHOR]

We critically review the literature on the Debye absorption peak of liquid water and the excess response found on the high frequency side of the Debye peak. We find a lack of agreement on the microscopic phenomena underlying both of these features. To better understand the molecular origin of Debye peak we ran large scale molecular dynamics simulations and performed several different distance-dependent decompositions of the low frequency dielectric spectra, finding that it involves processes that take place on scales of 1.5–2.0 nm. We also calculated the k-dependence of the Debye relaxation, finding it to be highly dispersive. These findings are inconsistent with models that relate Debye relaxation to local processes such as the rotation/translation of molecules after H-bond breaking. We introduce the spectrumfitter Python package for fitting dielectric spectra and analyze different ways of fitting the high frequency excess, such as including one or two additional Debye peaks. We propose using the generalized Lydanne–Sachs–Teller (gLST) equation as a way of testing the physicality of model dielectric functions. Our attempts at fitting the experimental spectrum using the gLST relation as a constraint indicate that the traditional way of fitting the excess response with secondary and tertiary Debye relaxations is problematic. All of our work is consistent with the recent theory of Popov et al. (2016) that Debye relaxation is due to the migration of Bjerrum-like defects in the hydrogen bond network. Under this theory, the mechanism of Debye relaxation in liquid water is similar to the mechanism in ice, but the heterogeneity and power-law dynamics of the H-bond network in water results in excess response on the high frequency side of the peak. [ABSTRACT FROM AUTHOR]

The existence of the exclusion zone (EZ), a layer of water in which plastic microspheres are repelled from hydrophilic surfaces, has now been independently demonstrated by several groups. A better understanding of the mechanisms which generate EZs would help with understanding the possible importance of EZs in biology and in engineering applications such as filtration and microfluidics. Here we review the experimental evidence for EZ phenomena in water and the major theories that have been proposed. We review experimental results from birefringence, neutron radiography, nuclear magnetic resonance, and other studies. Pollack theorizes that water in the EZ exists has a different structure than bulk water, and that this accounts for the EZ. We present several alternative explanations for EZs and argue that Schurr's theory based on diffusiophoresis presents a compelling alternative explanation for the core EZ phenomenon. Among other things, Schurr's theory makes predictions about the growth of the EZ with time which have been confirmed by Florea et al. and others. We also touch on several possible confounding factors that make experimentation on EZs difficult, such as charged surface groups, dissolved solutes, and adsorbed nanobubbles. [ABSTRACT FROM AUTHOR]