TD-DFT Investigation of the Magnetic Circular Dichroism Spectra of Some Purine and Pyrimidine Bases of Nucleic Acids

We present a computational study of the magnetic circular dichroism (MCD) spectra in the 200-300 nm wavelength region of purine and its derivative hypoxanthine, as well as of the pyrimidine bases of nucleic acids uracil, thymine, and cytosine, using the B3LYP and CAM-B3LYP functionals. Solvent effects are investigated within the polarizable continuum model and by inclusion of explicit water molecules. In general, the computed spectra are found to be in good agreement with the experimental ones, apart from some overall blue shifts. Both the pseudo-A term shape of the MCD spectra of the purines and the B term shape of the spectra of pyrimidine bases are reproduced. Our calculations also correctly reproduce the reversed phase of the MCD bands in purine compared to that of its derivatives present in nucleic acids. Solvent effects are sizable and system specific, but they do not in general alter the qualitative shape of the spectra. The bands are dominated by the bright \u3c0 \u2192 \u3c0* transitions, and our calculations in solution nicely reproduce their energy differences, improving the estimates obtained in the gas phase. Shoulders are predicted for purine and uracil due to n \u2192 \u3c0* excitations, but they are too weak to be observed in the experiment

Hyperpolarized 3He MRI Ventilatory Apparent Diffusion Coefficient of Alpha-1 Antitrypsin

Alpha-1 antitrypsin deficiency (AATD) leads to disabling chronic obstructive pulmonary disease (COPD). Current therapy aimed at slowing lung disease progression includes exogenous alpha-1 antitrypsin augmentation therapy, but there are few potential new treatments under development. Currently used measurements of AATD-related emphysema include the forced expiratory volume in 1 second (FEV1) and the diffusing capacity of carbon monoxide (DLCO); both are relatively insensitive to therapy, although computed tomography (CT) lung density measurements have been shown to worsen more slowly in treated patients

Jointly Optimized Deep Neural Networks to Synthesize Monoenergetic Images from Single-Energy CT Angiography for Improving Classification of Pulmonary Embolism

Detector-based spectral CT offers the possibility of obtaining spectral information from which discrete acquisitions at different energy levels can be derived, yielding so-called virtual monoenergetic images (VMI). In this study, we aimed to develop a jointly optimized deep-learning framework based on dual-energy CT pulmonary angiography (DE-CTPA) data to generate synthetic monoenergetic images (SMI) for improving automatic pulmonary embolism (PE) detection in single-energy CTPA scans. For this purpose, we used two datasets: our institutional DE-CTPA dataset D1, comprising polyenergetic arterial series and the corresponding VMI at low-energy levels (40 keV) with 7892 image pairs, and a 10% subset of the 2020 RSNA Pulmonary Embolism CT Dataset D2, which consisted of 161,253 polyenergetic images with dichotomous slice-wise annotations (PE/no PE). We trained a fully convolutional encoder-decoder on D1 to generate SMI from single-energy CTPA scans of D2, which were then fed into a ResNet50 network for training of the downstream PE classification task. The quantitative results on the reconstruction ability of our framework revealed high-quality visual SMI predictions with reconstruction results of 0.984 ± 0.002 (structural similarity) and 41.706 ± 0.547 dB (peak signal-to-noise ratio). PE classification resulted in an AUC of 0.84 for our model, which achieved improved performance compared to other naïve approaches with AUCs up to 0.81. Our study stresses the role of using joint optimization strategies for deep-learning algorithms to improve automatic PE detection. The proposed pipeline may prove to be beneficial for

Portal vein embolization using a Histoacryl/Lipiodol mixture before right liver resection

Purpose: The purpose of this retrospective study was to evaluate the efficacy and safety of percutaneous transhepatic portal vein embolization (PVE) of the right liver lobe using Histoacryl/Lipiodol mixture to induce contralateral liver hypertrophy before right-sided (or extended right-sided) hepatectomy in patients with primarily unresectable liver tumors. Methods: Twenty-one patients (9 females and 12 males) underwent PVE due to an insufficient future liver remnant; 17 showed liver metastases and 4 suffered from biliary cancer. Imaging was performed prior to and 4 weeks after PVE. Surgery was scheduled for 1 week after a CT or MRI control. The primary study end point was technical success, defined as complete angiographical occlusion of the portal vein. The secondary study end point was evaluation of liver hypertrophy by CT and MRI volumetry and transfer to operability. Results: In all the patients, PVE could be performed with a with a Histoacryl/Lipiodol mixture (n = 20) or a Histoacryl/ Lipiodol mixture with microcoils (n = 1). No procedure-related complications occurred. The volume of the left liver lobe increased significantly (p < 0.0001) by 28% from a mean of 549 ml to 709 ml. Eighteen of twenty-one patients (85.7%) could be transferred to surgery, and the intended resection could be performed as planned in 13/18 (72.3%) patients. Conclusion: Preoperative right-sided PVE using a Histoacryl/Lipiodol mixture is a safe technique and achieves a sufficient hypertrophy of the future liver remnant in the left liver lobe

Single Coronary Artery with Anomalous Rising of the Right Coronary Artery: A Rare Coronary Anomaly Diagnosed by 256-Multidetector Computed Tomography

Herein we report the diagnostic potential of cardiac computed tomography (cCT) to delineate the origin and course of an anomalous right coronary artery (RCA) originating from the midpart of the left anterior descended artery (LAD) in an adult with no other form of congenital heart disease. The patient was referred to our institution due to exertional dyspnea and suspected coronary artery disease. The patient underwent X-ray coronary angiography, and no high grade lesions were observed in the left coronary vessels. In the course of the mid-left-anterior-descending artery (LAD), an anomalous side branch coursing away from the left circumflex coronary artery (LCX) was observed, while a right coronary ostium could not be depicted. cCT confirmed the absence of a right coronary ostium, and the vessel originating from the mid LAD was identified as an anomalous RCA, which coursed anterior of the aorta and the pulmonary trunk

In-vitro assessment of coronary artery stents in 256-multislice computed tomography angiography

BACKGROUND: The important detection of in-stent restenosis in cardiovascular computed tomography (CT) is still challenging. The first study assessing the in-vitro stent lumen visualization of the state of the art 256-multislice CT (256-MSCT), which was performed by our research group, yielded promising results. As the applied technical approach is not suitable for daily routine, we assessed the capability of the 256-MSCT and its different reconstruction kernels for the coronary stent lumen visualization employing a clinically applicable technique in a phantom study. RESULTS: The XCD kernel showed significantly lower artificial lumen narrowing (ALN) values (overall ALN < 40%) than the other reconstruction kernels (CC, CD, XCB) irrespective of the stent caliber. The ALN of coronary stents with a diameter >3 mm was significantly lower than of stents with a smaller caliber. The ALN difference between stents with a diameter of 3 mm and smaller ones was not statistically significant. Yet, the lumen visualization of the smaller stents was impaired by a halo effect. The XCD kernel showed more constant attenuation values throughout the different stent diameters than the other reconstruction kernels. CONCLUSIONS: The 256-MSCT provides a good lumen visualization of coronary stents with a diameter >3 mm. The assessment of stents with a diameter of 3 mm seems feasible but has to be validated in further studies. The clinical evaluation of smaller stents cannot be recommended so far. The XCD kernel showed the best lumen visualization and should therefore be applied in addition to the standard cardiac reconstruction kernels when assessing coronary artery stents using 256-MSCT

Modified screen-printed carbon electrodes application for protein tumor markers determination

Screen-printed carbon electrodes were modified with gold nanoparticles bound with DNA-aptamers by two different methods. Aptamers can selectively bind protein tumor markers from the blood plasma. The electrodes were tested. Signals obtained via squire-wavy voltammetry from modified electrodes covered with blood plasma of the healthy donors and donors with lung cancer can be distinguished