Single Acquisition Research Articles

Pseudo-Label Assisted nnU-Net enables automatic segmentation of 7T MRI from a single acquisition.

Automatic whole brain and lesion segmentation at 7T presents challenges, primarily from bias fields, susceptibility artifacts including distortions, and registration errors. Here, we sought to use deep learning algorithms (D/L) to do both skull stripping and whole brain segmentation on multiple imaging contrasts generated in a single Magnetization Prepared 2 Rapid Acquisition Gradient Echoes (MP2RAGE) acquisition on participants clinically diagnosed with multiple sclerosis (MS), bypassing registration errors. Brain scans Segmentation from 3T and 7T scanners were analyzed with software packages such as FreeSurfer, Classification using Derivative-based Features (C-DEF), nnU-net, and a novel 3T-to-7T transfer learning method, Pseudo-Label Assisted nnU-Net (PLAn). 3T and 7T MRIs acquired within 9 months from 25 study participants with MS (Cohort 1) were used for training and optimizing. Eight MS patients (Cohort 2) scanned only at 7T, but with expert annotated lesion segmentation, was used to further validate the algorithm on a completely unseen dataset. Segmentation results were rated visually by experts in a blinded fashion and quantitatively using Dice Similarity Coefficient (DSC). Of the methods explored here, nnU-Net and PLAn produced the best tissue segmentation at 7T for all tissue classes. In both quantitative and qualitative analysis, PLAn significantly outperformed nnU-Net (and other methods) in lesion detection in both cohorts. PLAn's lesion DSC improved by 16% compared to nnU-Net. Limited availability of labeled data makes transfer learning an attractive option, and pre-training a nnUNet model using readily obtained 3T pseudo-labels was shown to boost lesion detection capabilities at 7T.

Application of Impact Elastic Wave Method in Quality Inspection of Concrete Lining

As the main part of inter-basin water transfer project, water tunnel plays an important role in long-distance water conveyance. In water tunnel, the lining quality problem is one of the important potential safety hazards of the tunnel engineering. It is very necessary to detect the internal defects of concrete lining. In this paper, a multi-parameter comprehensive interpretation method based on impact elastic wave is proposed to quickly detect the internal defects of lining. The common offset time domain analysis method, frequency domain analysis method and two-dimension Rayleigh wave method are used for data processing. The detection method has the characteristics of single data acquisition and multi-parameter joint interpretation. The physical model of concrete lining is tested and compared with the result of GPR method to verify the accuracy of this method. The coring results show the reliability and stability of this method in practical application.

Lensless polarimetric coded ptychography for high-resolution, high-throughput gigapixel birefringence imaging on a chip

Polarimetric imaging provides valuable insights into the polarization state of light interacting with a sample. It can infer crucial birefringence properties of specimens without using labels, thereby facilitating the diagnosis of diseases such as cancer and osteoarthritis. In this study, we present a novel polarimetric coded ptychography (pol-CP) approach that enables high-resolution, high-throughput gigapixel birefringence imaging on a chip. Our platform deviates from traditional lens-based systems by employing an integrated polarimetric coded sensor for lensless coherent diffraction imaging. Utilizing Jones calculus, we quantitatively determine the birefringence retardance and orientation information of biospecimens from the recovered images. Our portable pol-CP prototype can resolve the 435 nm linewidth on the resolution target, and the imaging field of view for a single acquisition is limited only by the detector size of 41 mm×41 mm. The prototype allows for the acquisition of gigapixel birefringence images with a 180 mm×180 mm field of view in ∼3.5 min, a performance that rivals high-end whole slide scanner but at a small fraction of the cost. To demonstrate its biomedical applications, we perform high-throughput imaging of malaria-infected blood smears, locating parasites using birefringence contrast. We also generate birefringence maps of label-free thyroid smears to identify thyroid follicles. Notably, the recovered birefringence maps emphasize the same regions as autofluorescence images, underscoring the potential for rapid on-site evaluation of label-free biopsies. Our approach provides a turnkey and portable solution for lensless polarimetric analysis on a chip, with promising applications in disease diagnosis, crystal screening, and label-free chemical imaging, particularly in resource-constrained environments.

Three combustion reactions in a single elemental analysis and isotope ratio mass spectrometry acquisition as a strategy to save helium and energy

Three combustion reactions in a single elemental analysis and isotope ratio mass spectrometry acquisition as a strategy to save helium and energy

Layer-specific circumferential strain using fast strain-encoded cardiac magnetic resonance imaging in acute myocardial injury - a prospective study of diagnostic and prognostic accuracy

Abstract Background In patients presenting acutely with chest pain or shortness of breath, an acute myocardial injury diagnosed through modern troponin assays is common. Yet, a differential diagnosis is often demanding and must weigh the timely treatment of an ischemic cause against the risk of an invasive procedure without intervention. Modern cardiac magnetic resonance (CMR) strain sequences such as fast-SENC (fSENC) might support clinical decision-making in identifying predictors of myocardial dysfunction (1). Furthermore, their resolution should be able to differentiate epicardial from endocardial function impairment. This study sought to assess a layer-specific strain approach's diagnostic and prognostic accuracy using circumferential strain. Methods In this board-approved prospective observational study, patients from the emergency department fulfilling rule-in criteria for NSTEMI according to current guidelines received an ultra-fast fSENC CMR independently of standard care (2,3). fSENC was acquired in a single heartbeat acquisition, and global/segmental circumferential strain (GCS) as well as dysfunctional segments were measured. GCS was measured in two layers (epicardial/endocardial = GCSepi/GCSendo). Patients were followed up for two years for the occurrence of cardiovascular death and divided into groups according to their final diagnosis upon discharge. Results 64 patients (51 male) were included, consisting of 25 with NSTEMI, 16 with myocarditis and 23 with other causes of myocardial injury (OMI). GCS was reduced in all patients but with no significant difference between groups (NSTEMI: -14.3±3.8; myocarditis: 15.9±4.6; OMI: 13.9±3.8; p>0.05). GCSendo (-16.3±4.0) was generally lower than GCSepi (-12.5±3.1) in all groups (p < 0.001), but did not differ between groups (p>0.05). Overall, 2-year mortality was low (4.7%). Nevertheless, GCSendo predicted outcome (p = 0.03), unlike GCS. 2-year survival in patients with normal GCS (>-17%) and ≤5 dysfunctional segments was 100.0%. Conclusions Layer-specific circumferential strain is a significant predictor of prognosis. Endo- and epicardial strain is reduced in all types of myocardial injury. For the identification of underlying pathology however, layer-specific circumferential strain did not add incremental value.

Comparison of early and late 68Ga-FAPI-46-PET in 33 patients with possible recurrence of pancreatic ductal adenocarcinomas

Positron emission tomography with 68Gallium (68Ga) labeled inhibitors of fibroblast activation protein (68Ga-FAPI-PET) is a promising imaging technique for patients with recurrent pancreatic ductal adenocarcinomas (PDAC). To date, it is not clear if different acquisition timepoints for 68Ga-FAPI-PET may result in comparable imaging information and if repetitive 68Ga-FAPI-PET imaging may add diagnostic value to single timepoint acquisition for recurrent PDAC. Here we analyzed retrospectively early (20 min p.i.) and late (60 min p.i.) 68Ga-FAPI-PET imaging using FAPI-46 of 33 patients with possible recurrence of PDAC concerning detection rates and uptake over time of local recurrences, metastases, inflammatory lesions of the pancreas, cholestatic lesions of the liver and reactive tissue. 33 patients with histologically confirmed PDAC after complete or partial resection of the pancreas and possible recurrence were examined by 68Ga-FAPI-46-PET acquired 20- and 60-min post injection (p.i.) of the radiotracer. FAPI-positive lesions were classified as local recurrences, metastases, inflammatory lesions of the pancreas (ILP), cholestatic lesions of the liver and reactive tissue based on histology, PET- and CT-morphology and clinical information. Lesions were contoured, and standardized uptake values (SUVmax and SUVmean) and target-to-background ratios (TBR) were analyzed for both acquisition timepoints. In total, 152 FAPI-positive lesions (22 local relapses, 47 metastases, 26 inflammatory lesions of the pancreas, 28 reactive tissues, and 29 cholestatic lesions) were detected. Detection rates for the early and late acquisition of 68Ga-FAPI-46-PET were almost identical except cholestatic lesions, which showed a higher detection rate at early imaging. SUV parameters and TBRs of ILP significantly decreased over time. Cholestatic lesions showed a tendency towards decreasing uptake. All other types of lesions showed relatively stable uptake over time. Early and late acquisition of 68Ga-FAPI-PET results in comparable imaging information in patients with possible recurrence of PDAC. Two timepoint imaging offers additional diagnostic potential concerning differential diagnoses.

Single-shot OCT and OCT angiography for slab-specific detection of diabetic retinopathy.

In this study, we present an optical coherence tomographic angiography (OCTA) prototype using a 500 kHz high-speed swept-source laser. This system can generate a 75-degree field of view with a 10.4 µm lateral resolution with a single acquisition. With this prototype we acquired detailed, wide-field, and plexus-specific images throughout the retina and choroid in eyes with diabetic retinopathy, detecting early retinal neovascularization and locating pathology within specific retinal slabs. Our device could also visualize choroidal flow and identify signs of key biomarkers in diabetic retinopathy.

A non-parametric algorithm for time-dependent modal analysis of civil structures and infrastructures

Vibration-based monitoring strategies have been demonstrated to be effective tools in providing – in nearly real-time – reliable information regarding the integrity of structures and infrastructure systems. However, commonly used methods for vibration analysis and modal identification are not able to capture the time variation of the modal properties during single acquisitions, hence they cannot perform dynamic identification in the presence of nonlinearities or non-stationary input excitations. To overcome this limitation, a novel non-parametric algorithm for automatic time-dependent modal analysis is hereby presented and discussed. This Enhanced Modal Identification for Long-term Integrity Assessment (EMILIA) algorithm can compute time-dependent estimations of the natural frequencies and mode shapes that can be critical to the early identification of hidden damage. The dynamic characterization of a beam-like structure in sound and damaged conditions is carried out for numerical validation purposes, allowing to evaluate the reliability of the proposed method over different scenarios and comparing its efficiency against traditional algorithms. Finally, further tests are conducted to analyse the sensitivity of the EMILIA algorithm to its main parameters and components.

Develop and Evaluate a Dose Calculation Strategy Using Electron Density Maps from Spectral CT

The conventional method of estimating relative electron density using Hounsfield Units (HUs) is prone to errors resulting from various factors such as energy spectrum, exposure, scanner/patient conditions, etc. Specific calibration is needed for each acquisition protocol. To overcome these limitations, dual energy CT has been extensively researched for its accuracy in dose calculation using tube potential switching techniques. A dual layer design offers a different approach to acquire spectral images using single data acquisitions. This study aims to develop and evaluate a dose calculation method using electron density maps generated directly from a dual layer detector scanner. A phantom with tissue equivalent inserts was scanned using different scanner configurations on a dual layer detector scanner. The electron density of 17 inserts ranged from 0.668 - 5.663 × 1023 m-23. The energy dependent attenuation curves were generated and translated into values of Compton and photoelectric components, which were used to calculate ED values. The ED values were compared to normal values provided by the vendor for each insert. The generated ED maps were normalized to the ED of water and used as the input for dose calculations without CT images. Dosimetry plans were generated on the phantom for two different field sizes (10 × 10 cm2 and 3 × 3 cm2) at gantry angles of 0 and 90 degrees using a 6 MV Monte Carlo engine. The dose distributions were compared between the conventional HU to ED calibration approach with CT images and the direct calculation using the calculated ED map. The results showed that compared to the conventional HU to ED map, the ED map generated from spectral CT had a relative ED that was about 0.02 lower and was more uniform, with smaller standard deviations. The ED map was closer to the nominal value in low-density regions, while the HU converted ED map was closer to the nominal value in high-density regions. The dose distributions between the two ED approaches were almost identical, with a maximum deviation of around 1% for both field sizes at deeper depths. In conclusion, a dual layer detector scanner can provide an accurate estimation of ED maps. We showed that the dose calculation using the generated ED map is highly accurate using a phantom. This method provides an alternative strategy for dose calculation that eliminates the need for HU to ED calibration and enables the use of the ED map directly.

Hardware and Software Implementation of the Embedded Controlling System for the TuMag Camera

The main objective of this paper is to present the design and implementation of an embedded controlling system for the Tunable Magnetograph (TuMag) instrument camera sensor and test-bench software application for camera laboratory characterization. The TuMag camera is based on a new scientific sensor GPIXEL SENSE400 device family equipped with an FPGA. The camera sensor has an active area of 2048 × 2048 pixels and reaches a frame rate of up to 48 frames per second. The embedded controlling system was implemented on an Artix 7 FPGA, which oversees controlling the image sensor through a configuration interface. It controls the read-out of the sensor data and the communication of commands with the host device. The camera has a standard CoaXPress communication interface of up to 3125 Gbps. The FPGA embedded control system allows bit, word, and serial channel calibration and the modification of several parameters, such as the region of interest (RoI) size, exposition time, hardware or software trigger, single or continuous acquisition modes, sensor gain, and adjustment of the black level offset and exposition time. In addition, the firmware has a temperature controller, voltage level monitoring, and an enable–disable power sensor. In addition, the test-bench software application is a library developed in Python 3.7. It is a wrapper for the standard GeniCan commercial frame grabber interpreter. This wrapper permits the improvement of the interaction and interface between the user and the hardware in the camera calibration. The test-bench software application permits the reduction of costs and the transport risk of the TuMag camera between different laboratories. All TuMag embedded control systems and test-bench software application functionalities were successfully tested according to scientific requirements.

Radial Planes in Hip Magnetic Resonance Imaging: Techniques, Applications, and Perspectives.

The hip cartilage and labrum, as the main targets of femoroacetabular impingement, sports-related or traumatic damage, as well as congenital and developmental abnormalities, have attracted increasing attention with the development of magnetic resonance imaging (MRI) and hip arthroscopy. MRI is a commonly used imaging modality to noninvasively visualize the hip cartilage and labral lesions. However, conventional orthogonal MRI planes encounter unique challenges given the ball-and-socket configuration of the hip joint, its anatomically abducted and anteverted orientation, and the thin, closely apposed cartilage enveloping the femoral head and acetabulum. Advancements in hip MRI's radial plane, which is acquired through the center of the hip joint, offer a solution. This technology provides true cross-sectional images of the cartilage and labrum perpendicular to the curvature of the joint, thereby mitigating the partial-volume-averaging effects. The integration of 3.0-Tesla high field strength and three-dimensional (3D) acquisition techniques further enhances the capabilities of the radial plane. This combination yields a high signal-to-noise ratio, high spatial resolution, high contrast between intraarticular structures, while minimizing partial-volume-averaging effects. Such improvements potentially facilitate the comprehensive detection of even minor chondral and labral lesions. The capability for multiplanar reconstruction from a single 3D volumetric acquisition further strengthens the usefulness of the radial plane by aiding in precise localization of hip cartilage and labral lesions, in line with hip arthroscopy findings. These advancements have the potential to standardize MRI evaluations and radiographic reporting systems for hip cartilage and labrum, offering precise guidance for hip arthroscopy. This article presents a comprehensive review of radial plane technology applied to the hip MRI, and discusses the morphological assessment and localization of hip cartilage and labral lesions utilizing this advanced imaging technique. EVIDENCE LEVEL: 5 TECHNICAL EFFICACY: Stage 2.

Snapshot hyperspectral imaging of intracellular lasers.

Intracellular lasers are emerging as powerful biosensors for multiplexed tracking and precision sensing of cells and their microenvironment. This sensing capacity is enabled by quantifying their narrow-linewidth emission spectra, which is presently challenging to do at high speeds. In this work, we demonstrate rapid snapshot hyperspectral imaging of intracellular lasers. Using integral field mapping with a microlens array and a diffraction grating, we obtain images of the spatial and spectral intensity distribution from a single camera acquisition. We demonstrate widefield hyperspectral imaging over a 3 × 3 mm2 field of view and volumetric imaging over 250 × 250 × 800 µm3 (XYZ) volumes with a lateral (XY) resolution of 5 µm, axial (Z) resolution of 10 µm, and a spectral resolution of less than 0.8 nm. We evaluate the performance and outline the challenges and strengths of snapshot methods in the context of characterizing the emission from intracellular lasers. This method offers new opportunities for a diverse range of applications, including high-throughput and long-term biosensing with intracellular lasers.

Generating Synthetic Radiological Images with PySynthMRI: An Open-Source Cross-Platform Tool.

Synthetic MR Imaging allows for the reconstruction of different image contrasts from a single acquisition, reducing scan times. Commercial products that implement synthetic MRI are used in research. They rely on vendor-specific acquisitions and do not include the possibility of using custom multiparametric imaging techniques. We introduce PySynthMRI, an open-source tool with a user-friendly interface that uses a set of input images to generate synthetic images with diverse radiological contrasts by varying representative parameters of the desired target sequence, including the echo time, repetition time and inversion time(s). PySynthMRI is written in Python 3.6, and it can be executed under Linux, Windows, or MacOS as a python script or an executable. The tool is free and open source and is developed while taking into consideration the possibility of software customization by the end user. PySynthMRI generates synthetic images by calculating the pixelwise signal intensity as a function of a set of input images (e.g., T1 and T2 maps) and simulated scanner parameters chosen by the user via a graphical interface. The distribution provides a set of default synthetic contrasts, including T1w gradient echo, T2w spin echo, FLAIR and Double Inversion Recovery. The synthetic images can be exported in DICOM or NiFTI format. PySynthMRI allows for the fast synthetization of differently weighted MR images based on quantitative maps. Specialists can use the provided signal models to retrospectively generate contrasts and add custom ones. The modular architecture of the tool can be exploited to add new features without impacting the codebase.

Personalization of thoracoabdominal CT examinations using scanner integrated clinical decision support systems – Impact on the acquisition technique, scan range, and reconstruction type

ObjectivesThis study evaluates the impact of a scanner-integrated, customized clinical decision support system (CDSS) on the acquisition technique, scan range, and reconstruction in thoracoabdominal CT. Materials and MethodsWe applied CDSS in contrast–enhanced examinations of the trunk with various clinical indications on a recent scanner with the capability of dual-energy CT (DECT), anatomic landmark detection (ALD), and iterative metal-artifact reduction (MAR). Simple and comprehensive questions about the patient’s breath hold capability, the anatomical region of interest, and metal implants can be answered after the localizer. The acquisition technique (single energy, SECT, or dual energy), scan range (chest-abdomen-pelvis or chest-abdomen), and reconstruction technique (with or without MAR) were then automatically adapted in the examination protocols in coherence with these selections. Retrospectively, we compared the usage rates for these techniques in 624 examinations on the study scanner with 740 examinations on a comparable scanner without CDSS. Subgroup analysis of effective dose (ED), scan duration, and image quality (IQ) was performed in the study group. ResultsCDSS leads to an increased usage rate of DECT (64.4% vs. 2.8%) and MAR (75.4% vs. 44.0%). All scan range adaptations by ALD were successful. The resulting subjective IQ between single energy and DECT acquisitions was comparable (all p > 0.05). Scan duration was significantly longer in DECT than in SECT (16.9 s vs. 6.5 s; p < 0.001). However, the objective IQ was significantly higher in DECT (CNRD 2.1 vs. 1.8; p < 0.01), and the ED significantly lower (6.7 mSv vs. 7.6 mSv; p = 0.004). ConclusionCDSS for thoracoabdominal CT leads to a substantially increased usage rate of innovative techniques during acquisition and reconstruction. Patients with adapted protocols benefit from improved image quality and increased post-processing options at lower radiation doses.

Multisample Ultrasound Point Shear Wave Elastography of the Liver: Repeatability and Agreement With Conventional Point Shear Wave Elastography.

To characterize the technical performance of a multisample ultrasound point shear wave elastography (pSWE) technique that allows 15 individual measurements of liver stiffness in a single acquisition. In 56 overweight and obese adults, research ultrasound examinations were performed using conventional pSWE and multisample pSWE (Sequoia; Siemens Healthineers). Five independent measurements were acquired with the conventional technique over five consecutive breath holds (5C1 and DAX transducers). A single multisample acquisition (DAX transducer) of up to 15 unique measurements was acquired during a single breath hold. All imaging was performed before (baseline) and after a "coffee break" (repeat). Median liver stiffness measurements between techniques and between baseline and repeat imaging were compared using Pearson correlation (r) and intra-class correlation (ICC) coefficients. Mean participant age was 33.7 ± 11.4 years; 40 participants were female. There was high correlation between conventional pSWE measurements obtained using the 5C1 and DAX transducers at baseline (r = .75 [95% CI: 0.61-0.85], P < .0001) and repeat (r = .88 [95% CI: 0.78-0.92], P < .0001). There was moderate agreement between conventional pSWE measurements obtained using the 5C1 and DAX transducers at baseline (ICC = 0.69 [95% CI: 0.52-0.81]), and good agreement at repeat (ICC = 0.81 [95% CI: 0.65-0.90]). There was moderate correlation (r = .59 [95% CI: 0.39-0.74], P < .0001) and moderate agreement (ICC = 0.58 [95% CI: 0.38-0.73]) between baseline conventional and multisample pSWE measurements acquired using the DAX transducer; there was high correlation (r = .73 [95% CI: 0.57-0.83], P < .0001) and moderate agreement (ICC = 0.72 [95% CI: 0.56-0.82] between techniques at repeat. There was moderate correlation (r = .65 [95% CI: 0.46-0.78], P < .0001) and moderate agreement (ICC = 0.64 [95% CI: 0.45-0.77]) between baseline and repeat multisample pSWE measurements. Multisample pSWE, allowing up to 15 measurements in a single breath hold, showed moderate to high correlation and moderate agreement with conventional pSWE.

State estimation of lithium-ion batteries based on the initial rise time feature of ultrasonic signals

Lithium-ion batteries have become one of the most critical energy storage systems due to their long cycle life and high energy density. Ultrasonic testing technology has been applied to the battery state estimation for the assurance of durability, safety and performance, however, the accuracy and reliability still need to be improved. In this paper, a new signal feature of the ultrasonic signal is proposed for the state of charge (SOC) estimation of batteries. The signal-shear effect is observed during charge/discharge cycles and is explained by the ultrasonic resonance phenomenon, based on which a SOC estimation method is proposed by using damped sine waves as excitations. This signal feature is characterized by the initial rise time (IRT), which is calculated by an algorithm based on the temporal moment and the adaptive moving root mean square. The optimal frequency and damping ratio parameters of the damped sine waves are found by a parameter-sweep study. Based on the experiment results, the proposed IRT feature is highly correlated to the SOC status with satisfying accuracy, monotonicity and linearity. The IRT feature has the additional advantage to be calculated by only a single data acquisition channel, providing a more convenient mean of battery status estimation.

Multicolor lifetime imaging and its application to HIV-1 uptake

Simultaneous imaging of nine fluorescent proteins is demonstrated in a single acquisition using fluorescence lifetime imaging microscopy combined with pulsed interleaved excitation of three laser lines. Multicolor imaging employing genetically encodable fluorescent proteins permits spatio-temporal live cell imaging of multiple cues. Here, we show that multicolor lifetime imaging allows visualization of quadruple labelled human immunodeficiency viruses on host cells that in turn are also labelled with genetically encodable fluorescent proteins. This strategy permits to simultaneously visualize different sub-cellular organelles (mitochondria, cytoskeleton, and nucleus) during the process of virus entry with the potential of imaging up to nine different spectral channels in living cells.

Multi-echo single-shot spectroscopy combined with simultaneous 2D model fitting for fast and accurate measurement of metabolite-specific concentrations and T2 relaxation times.

The purpose of the current study was to develop a novel single-voxel MR spectroscopy acquisition scheme to simultaneously determine metabolite-specific concentrations and transverse relaxation times within realistic clinical scan times. Partly truncated multi-TE data are acquired as an echo train in a single acquisition (multi-echo single-shot [MESS]). A 2D multiparametric model fitting approach combines truncated, low-resolved short TE data with fully sampled, highly resolved, longer TE data to yield concentration and T2 estimates for major brain metabolites simultaneously. Cramer-Rao lower bounds (CRLB) are used as a measure of performance. The novel scheme was compared with traditional multi-echo multi-shot methods. In silico, in vitro, and in vivo experiments support the findings. MESS schemes, requiring only 2 min 12s for the acquisition of three echo times, provide valid concentration and relaxation estimates for multiple metabolites and outperform traditional methods for simultaneous determinations of metabolite-specific T2 s and concentrations, with improvements ranging from 5% to 30% for T2 s and from 10% to 50% for concentrations. However, substantial unsuppressed residual water signals may hamper the method's reproducibility, as observed in an initial experiment setup that prioritizes short TEs with severely truncated acquisition for the benefit of signal-to-noise ratio (SNR). Nevertheless, CRLB have been confirmed to be well suited as design criteria, and within-session repeatability approaches CRLB when residual water is removed in postprocessing by exploiting longer and less truncated data recordings. MESS MRS combined with 2D model fitting promises comparable accuracy, increased precision, or inversely shorter experimental times compared with traditional approaches. However, the optimal design must be investigated as a trade-off between SNR, the truncation factor, and TE batch selections, all of which influence the robustness of estimations.

Isomer-Resolved Mass Spectrometry Imaging of Acidic Phospholipids.

The biological functions of lipids are entirely dependent on their molecular structures with even small changes in structure─such as different sites of unsaturation─providing critical markers for changes in the underlying metabolism. Conventional mass spectrometry imaging (MSI) approaches, however, face the twin challenges of mixture and structural complexity and are typically unable to differentiate lipid isomers that differ only in the position(s) of carbon-carbon double bonds. Recent coupling of ozone-induced dissociation (OzID) with matrix-assisted laser desorption/ionization (MALDI)-MSI has demonstrated the potential to map changes in individual double-bond isomers, thus enabling visualization of the modulation in lipid desaturation in adjacent tissue types. This has, to date, only been performed in positive-ion mode due to a generally higher abundance of phosphatidylcholines (PC) in mammalian tissues and the efficient desorption/ionization of this lipid subclass. Many other glycerophospholipids (GPLs), however, are better detected in negative-ion mode as deprotonated anions. Recently, OzID has been implemented on a traveling-wave ion-mobility mass spectrometer (Waters, SYNAPT G2-Si) that provides a 50-fold increase in the rate of the gas-phase reaction between ionized lipids and ozone and a commensurate increase in sensitivity for isomer-resolved mass spectrometry. These gains are exploited here to interrogate the distributions of anionic GPL isomers in biological tissues, covering the subclasses phosphatidylserine (PS), phosphatidylethanolamine (PE), phosphatidylinositol (PI), phosphatidylglycerol (PG), and phosphatidic acid (PA). Exploiting both ozone- and collision-induced dissociation in a single acquisition simultaneously identifies sites of unsaturation and acyl chain composition from the same mass spectrum.

Simultaneous RNA and DNA Adductomics Using Single Data-Independent Acquisition Mass Spectrometry Analysis.

Adductomics studies are used for the detection and characterization of various chemical modifications (adducts) of nucleic acids and proteins. The advancements in liquid chromatography coupled with high-resolution tandem mass spectrometry (HRMS/MS) have resulted in efficient methods for qualitative and quantitative adductomics. We developed an HRMS-based method for the simultaneous analysis of RNA and DNA adducts in a single run and demonstrated its application using Baltic amphipods, useful sentinels of environmental disturbances, as test organisms. The novelty of this method is screening for RNA and DNA adducts by a single injection on an Orbitrap HRMS instrument using full scan and data-independent acquisition. The MS raw files were processed with an open-source program, nLossFinder, to identify and distinguish RNA and DNA adducts based on the characteristic neutral loss of ribonucleosides and 2'-deoxyribonucleosides, respectively. In the amphipods, in addition to the nearly 150 putative DNA adducts characterized earlier, we detected 60 putative RNA adducts. For the structural identification of the detected RNA adducts, the MODOMICS database was used. The identified RNA adducts included simple mono- and dimethylation and other larger functional groups on different ribonucleosides and deaminated product inosine. However, 54 of these RNA adducts are not yet structurally identified, and further work on their characterization may uncover new layers of information related to the transcriptome and help understand their biological significance. Considering the susceptibility of nucleic acids to environmental factors, including pollutants, the developed multi-adductomics methodology with further advancement has the potential to provide biomarkers for diagnostics of pollution effects in biota.