Development and validation of a new multiplex panel using SNaPshot-based DIP-TriSNP markers for forensic DNA mixtures.

Short tandem repeat analysis is challenging when dealing with unbalanced mixtures in forensic cases due to the presence of stutter peaks and large amplicons. In this research, we propose a novel genetic marker called DIP-TriSNP, which combines deletion/insertion polymorphism (DIP) with tri-allelic single nucleotide polymorphism in less than 230 bp length of human genome. Based on multiplex PCR and SNaPShot, a panel, including 14 autosomal DIP-TriSNPs and one Y chromosomal DIP-SNP, had been developed and applied to genotyping 102 unrelated Han Chinese individuals in Sichuan of China and simulated a mixture study. The panel sensitivity can reach as low as 0.1 ng DNA template, and the minor contributor of DNA can be detected with the highest ratio of 19:1, as indicated by the obtained results. In the Sichuan Han population, the cumulative probability of informative genotypes reached 0.997092, with a combined power of discrimination of 0.999999998801. The panel was estimated to detect more than two alleles in at least one locus in 99.69% of mixtures of the Sichuan Han population. In conclusion, DIP-TriSNPs have shown promising as an innovative DNA marker for identifying the minor contributor in unbalanced DNA mixtures, offering advantages such as short amplifications, increased polymorphism, and heightened sensitivity.

Comparative analysis of SNaPshot and massively parallel sequencing for body fluid-specific DNA methylation markers.

The identification of tissue-specific differentially methylated regions has significantly contributed to the field of forensic genetics, particularly in body fluid identification crucial for linking evidence to crimes. Among the various approaches to analyzing DNA methylation, the SNaPshot assay has been popularly studied in numerous researches. However, there is a growing interest in exploring alternative methods such as the use of massively parallel sequencing (MPS), which can process a large number of samples simultaneously. This study compares SNaPshot and MPS multiplex assays using nine cytosine-phosphate-guanine markers for body fluid identification. As a result of analyzing 112 samples, including blood, saliva, vaginal fluid, menstrual blood, and semen, both methods demonstrated high sensitivity and specificity, indicating their reliability in forensic investigations. A total of 92.0% samples were correctly identified by both methods. Although both methods accurately identified all blood, saliva, and semen samples, some vaginal fluid samples showed unexpected methylation signals at nontarget loci in addition to the target loci. In the case of menstrual blood samples, due to their complexity, independent typing criteria were applied, and successful menstrual blood typing was possible, whereas a few samples showed profiles similar to vaginal fluid. The MPS method worked better in vaginal fluid samples, and the SNaPshot method performed better in menstrual blood samples. This study offers valuable insights into body fluid identification based on the characteristics of the SNaPshot and MPS methods, which may help in more efficient forensic applications.

Development of a novel panel for blood identification based on blood-specific CpG-linked SNP markers.

Blood-containing mixtures often appear in murder and robbery cases, and their identification plays a significant role in solving crimes. In recent years, the co-detection of DNA methylation markers (CpG) and single nucleotide polymorphism (SNP) markers has been shown to be a promising tool for the identification of semen and its donor. However, similar research on blood stains that are frequently found at crime scenes has not yet been reported. In this study, we employed blood-specific CpG-linked SNP markers (CpG-SNP) for blood-specific genotyping and the linking of blood and its donor. The tissue-specific CpG markers were screened from the literature and further verified by combining bisulfite conversion with amplification-refractory mutation system (ARMS) technology. Meanwhile, adjacent SNP markers with a minor allele frequency (MAF) greater than 0.1 were selected within 400 bp upstream and downstream of the CpG markers. SNP genotyping was performed using SNaPshot technology on a capillary electrophoresis (CE) platform. Finally, a multiplex panel, including 19 blood-specific CpG linked to 23 SNP markers, as well as 1 semen-specific CpG, 1 vaginal secretion-specific CpG, and 1 saliva-specific CpG marker, was constructed successfully. The panel showed good tissue specificity and blood stains stored at room temperature for up to nine months and moderately degraded (4 < DI < 10) could be effectively identified. Moreover, it could also be detected when blood content in the mixed stains was as low as 1%. In addition, 15 ng of DNA used for bisulfite conversion was required for obtaining a complete profile. The cumulative discrimination power of the panel among the Han population of northern China could reach 0.999983. This is the first investigation conducted for the simultaneous identification of blood and its donor regardless of other body fluids included in mixed stains. The successful construction of the panel will play a vital role in the comprehensive analysis of blood-containing mixtures in forensic practice.

Snapshot CEST++: Advancing rapid whole-brain APTw-CEST MRI at 3 T.

APTw CEST MRI suffers from long preparation times and consequently long acquisition times (~5 min). Recently, a consensus on the preparation module for clinical APTw CEST at 3 T was found in the community, and we present a fast whole-brain APTw CEST MRI sequence following this consensus preparation of pulsed RF irradiation of 2 s duration at 90% RF duty-cycle and a B1,rms of 2 µT. After optimization of the snapshot CEST approach for APTw imaging regarding flip angle, voxel size and frequency offset sampling, we extend it by undersampled GRE acquisition and compressed sensing reconstruction. This allows 2 mm isotropic whole-brain APTw imaging for clinical research at 3 T below 2 min. With this sequence, a fast snapshot APTw imaging method is now available for larger clinical studies of brain tumors.

Quantification of bowel ischaemia using real-time multispectral Single Snapshot Imaging of Optical Properties (SSOP).

BACKGROUND: Single snapshot imaging of optical properties (SSOP) is a relatively new non-invasive, real-time, contrast-free optical imaging technology, which allows for the real-time quantitative assessment of physiological properties, including tissue oxygenation (StO2). This study evaluates the accuracy of multispectral SSOP in quantifying bowel ischaemia in a preclinical experimental model. METHODS: In six pigs, an ischaemic bowel segment was created by dividing the arcade branches. Five regions of interest (ROIs) were identified on the bowel loop, as follows: ROI 1: central ischaemic; ROI 2: left marginal; ROI 3: left vascularised; ROI 4: right marginal; and ROI 5: right vascularised. The Trident imaging system, specifically developed for real-time tissue oxygenation imaging using SSOP, was used to image before (T0) and after ischaemia induction. Capillary and systemic lactates were measured at each time point (T0, T15, T30, T45, T60), as well as StO2 values acquired by means of SSOP (SSOP-StO2). RESULTS: The mean value of SSOP-StO2 in ROI 1 was 30.08 ± 6.963 and was significantly lower when compared to marginal ROIs (ROI 2 + ROI 4: 45.67 ± 10.02 p = < 0.0001), and to vascularised ROIs (ROI 3 + ROI 5: 48.08 ± 7.083 p = < 0.0001). SSOP-StO2 was significantly correlated with normalised lactates r = - 0.5892 p < 0.0001 and with histology r =- 0.6251 p = 0.0002. CONCLUSION: Multispectral SSOP allows for a contrast-free accurate assessment of small bowel perfusion identifying physiological tissue oxygenation as confirmed with perfusion biomarkers.

The CASPER preparation program innovation: increasing self-perceived competence and confidence of underrepresented applicants on the novel CASPER Snapshot and CanMEDS roles.

BACKGROUND: Underrepresented Minorities in Medicine (URMMs) may face financial and social limitations when matriculating into medical schools. Performance on situational judgment tests such as Computer-based Assessment for Sampling Personal Characteristics (CASPER) can be enhanced by coaching and mentorship. The CASPER Preparation Program (CPP) coaches URMMs to prepare for the CASPER test. During the coronavirus 2019 pandemic (COVID-19), CPP implemented novel curricula on the CASPER Snapshot and CanMEDS roles. METHODS: Pre and post-program questionnaires were completed by the students, which assessed their: 1) confidence in understanding the CanMEDS roles, and 2) perceived confidence in performing well and their familiarity and preparedness with the CASPER Snapshot. With a second post-program questionnaire, participants' scores on the CASPER test as well as medical school application outcome were also assessed. RESULTS: Participants reported a significant increase in the URMMs' knowledge, self-perceived competency to complete the CASPER Snapshot, and their anxiety significantly decreased. The level of confidence in understanding CanMEDS roles for a career in healthcare increased as well. The majority (91%) agreed that the feedback received from tutors was adequate and the virtual component of the program was beneficial during COVID-19. 51% of students scored in the highest quartile on the CASPER test and 35% received an offer of admission from CASPER-requiring medical schools. CONCLUSION: Pathway coaching programs have the potential to increase confidence and familiarity amongst URMMs for the CASPER tests and CanMEDS roles. Similar programs should be developed with the aim to increase the chances of URMMs matriculating into medical schools.

Design and Development of Large-Band Dual-MSFA Sensor Camera for Precision Agriculture.

The optimal design and construction of multispectral cameras can remarkably reduce the costs of spectral imaging systems and efficiently decrease the amount of image processing and analysis required. Also, multispectral imaging provides effective imaging information through higher-resolution images. This study aimed to develop novel, multispectral cameras based on Fabry-Pérot technology for agricultural applications such as plant/weed separation, ripeness estimation, and disease detection. Two multispectral cameras were developed, covering visible and near-infrared ranges from 380 nm to 950 nm. A monochrome image sensor with a resolution of 1600 × 1200 pixels was used, and two multispectral filter arrays were developed and mounted on the sensors. The filter pitch was 4.5 µm, and each multispectral filter array consisted of eight bands. Band selection was performed using a genetic algorithm. For VIS and NIR filters, maximum RMS values of 0.0740 and 0.0986 were obtained, respectively. The spectral response of the filters in VIS was significant; however, in NIR, the spectral response of the filters after 830 nm decreased by half. In total, these cameras provided 16 spectral images in high resolution for agricultural purposes.

Direction-of-Arrival Estimation for a Random Sparse Linear Array Based on a Graph Neural Network.

This article proposes a direction-of-arrival (DOA) estimation algorithm for a random sparse linear array based on a novel graph neural network (GNN). Unlike convolutional layers and fully connected layers, which do not interact well with information between different antennas, the GNN model can adapt to the goniometry problem of non-uniform random sparse linear arrays without any prior information by applying neighbor nodes' aggregation and update operations. This helps the model in learning signal features under complex environmental conditions. We train the model in an end-to-end way to reduce the complexity of the network. Experiments are conducted on the uniform and sparse linear arrays for various signal-to-noise ratio (SNR) and numbers of snapshots for comparison. We prove that the GNN model has superior angle estimation performance on arrays with large sparsity that cannot be used by traditional algorithms and surpasses existing deep learning models based on convolutional or fully connected structures. The proposed algorithm shows excellent DOA estimation performance under the complex conditions of limited snapshots, low signal-to-noise ratio, and large array sparsity as well. In addition, the algorithm has a low time calculation cost and is suitable for scenarios that require low latency.

Forensic Age Estimation through a DNA Methylation-Based Age Prediction Model in the Italian Population: A Pilot Study.

DNA methylation is one of the epigenetic marks which has been studied intensively in recent years for age predicting purposes in the forensic area. In order to integrate age prediction into routine forensic workflow, the purpose of this study was to standardize and optimize a DNA methylation-based protocol tailored to the Italian context. A previously published protocol and age-predictive method was implemented for the analysis of 84 blood samples originating from Central Italy. The study here presented is based on the Single Base Extension method, considering five genes: ELOVL2, FHL2, KLF14, C1orf132, now identified as MIR29B2C, and TRIM59. The precise and specific steps consist of DNA extraction and quantification, bisulfite conversion, amplification of converted DNA, first purification, single base extension, second purification, capillary electrophoresis, and analysis of the results to train and test the tool. The prediction error obtained, expressed as mean absolute deviation, showed a value of 3.12 years in the training set and 3.01 years in the test set. Given that population-based differences in DNA methylation patterns have been previously reported in the literature, it would be useful to further improve the study implementing additional samples representative of the entire Italian population.

Hybrid Multi-Dimensional Attention U-Net for Hyperspectral Snapshot Compressive Imaging Reconstruction.

In order to capture the spatial-spectral (x,y,λ) information of the scene, various techniques have been proposed. Different from the widely used scanning-based methods, spectral snapshot compressive imaging (SCI) utilizes the idea of compressive sensing to compressively capture the 3D spatial-spectral data-cube in a single-shot 2D measurement and thus it is efficient, enjoying the advantages of high-speed and low bandwidth. However, the reconstruction process, i.e., to retrieve the 3D cube from the 2D measurement, is an ill-posed problem and it is challenging to reconstruct high quality images. Previous works usually use 2D convolutions and preliminary attention to address this challenge. However, these networks and attention do not exactly extract spectral features. On the other hand, 3D convolutions can extract more features in a 3D cube, but increase computational cost significantly. To balance this trade-off, in this paper, we propose a hybrid multi-dimensional attention U-Net (HMDAU-Net) to reconstruct hyperspectral images from the 2D measurement in an end-to-end manner. HMDAU-Net integrates 3D and 2D convolutions in an encoder-decoder structure to fully utilize the abundant spectral information of hyperspectral images with a trade-off between performance and computational cost. Furthermore, attention gates are employed to highlight salient features and suppress the noise carried by the skip connections. Our proposed HMDAU-Net achieves superior performance over previous state-of-the-art reconstruction algorithms.

Evaluation of facial hair-associated SNPs: a pilot study on male Pakistani Punjabi population.

Variation in facial hair is one of the most conspicuous features of facial appearance, particularly in South Asia and Middle East countries. A genome-wide association study in Latin Americans has identified multiple genetic variants at distinct loci being associated with facial hair traits including eyebrow thickness, beard thickness, and monobrow. In this pilot study, we have evaluated 16 SNPs associated with facial hair traits in 58 male individuals from the Punjabi population of Pakistan. In our sample, rs365060 in EDAR and rs12597422 in FTO showed significant association with monobrow, rs6684877 in MACF1 showed significant association with eyebrow thickness, and two SNPs in LOC105379031 (rs9654415 and rs7702331) showed significant association with beard thickness. Our results also suggest that genetic association may vary between ethnic groups and geographic regions. Although more data are needed to validate our results, our findings are of value in forensic molecular photofitting research in Pakistan.

Anticoagulation Status and Left Atrial Appendage Occlusion Indications in Hospitalized Cardiology Patients with Atrial Fibrillation: A Hellenic Cardiorenal Morbidity Snapshot (HECMOS) Sub-Study.

Background and Objectives: The proper use of oral anticoagulants is crucial in the management of non-valvular atrial fibrillation (AF) patients. Left atrial appendage closure (LAAC) may be considered for stroke prevention in patients with AF and contraindications for long-term anticoagulant treatment. We aimed to assess anticoagulation status and LAAC indications in patients with AF from the HECMOS (Hellenic Cardiorenal Morbidity Snapshot) survey. Materials and Methods: The HECMOS was a nationwide snapshot survey of cardiorenal morbidity in hospitalized cardiology patients. HECMOS used an electronic platform to collect demographic and clinically relevant information from all patients hospitalized on 3 March 2022 in 55 different cardiology departments. In this substudy, we included patients with known AF without mechanical prosthetic valves or moderate-to-severe mitral valve stenosis. Patients with prior stroke, previous major bleeding, poor adherence to anticoagulants, and end-stage renal disease were considered candidates for LAAC. Results: Two hundred fifty-six patients (mean age 76.6 ± 11.7, 148 males) were included in our analysis. Most of them (n = 159; 62%) suffered from persistent AF. The mean CHA2DS2-VASc score was 4.28 ± 1.7, while the mean HAS-BLED score was 1.47 ± 0.9. Three out of three patients with a a CHA2DS2-VASc score of 0 or 1 (female) were inappropriately anticoagulated. Sixteen out of eighteen patients with a CHA2DS2-VASc score 1 or 2 (if female) received anticoagulants. Thirty-one out of two hundred thirty-five patients with a CHA2DS2-VASc score > 1 or 2 (if female) were inappropriately not anticoagulated. Relative indications for LAAC were present in 68 patients with NVAF (63 had only one risk factor and 5 had two concurrent risk factors). In detail, 36 had a prior stroke, 17 patients had a history of major bleeding, 15 patients reported poor or no adherence to the anticoagulant therapy and 5 had an eGFR value < 15 mL/min/1.73 m2 for a total of 73 risk factors. Moreover, 33 had a HAS-BLED score ≥ 3. No LAAC treatment was recorded. Conclusions: Anticoagulation status was nearly optimal in a high-thromboembolic-risk population of cardiology patients who were mainly treated using NOACs. One out of four AF patients should be screened for LAAC.

Application of SNaPshot Technology in Semen-Specific cSNP Genetic Marker.

OBJECTIVES: To explore the feasibility of genetic marker detection of semen-specific coding region single nucleotide polymorphism (cSNP) based on SNaPshot technology in semen stains and mixed body fluid identification. METHODS: Genomic DNA (gDNA) and total RNA were extracted from 16 semen stains and 11 mixtures composed of semen and venous blood, and the total RNA was reverse transcribed into complementary DNA (cDNA). The cSNP genetic markers were screened on the validated semen-specific mRNA coding genes. The cSNP multiplex detection system based on SNaPshot technology was established, and samples were genotyped by capillary electrophoresis (CE). RESULTS: A multiplex detection system containing 5 semen-specific cSNPs was successfully established. In 16 semen samples, except the cSNP located in the TGM4 gene showed allele loss in cDNA detection results, the gDNA and cDNA typing results of other cSNPs were highly consistent. When detecting semen-venous blood mixtures, the results of cSNP typing detected were consistent with the genotype of semen donor and were not interfered by the genotype of venous blood donor. CONCLUSIONS: The method of semen-specific cSNPs detection by SNaPshot technology method can be applied to the genotyping of semen (stains) and provide information for determining the origin of semen in mixed body fluids (stains).

An efficient ancestry informative SNPs panel for further discriminating East Asian populations.

In forensic genetics, the use of ancestry informative single-nucleotide polymorphisms (AISNPs) panels can narrow the direction of the investigation by estimating an individual's biogeographic ancestry. However, distinguishing subgroups within continental regions requires more specific panels. In this study, we screened 19 AISNPs from the 1000 Genomes Project (1KG) based on their FST values to distinguish target populations in East Asia and obtained genotypes through SNaPshot. The 19 AISNPs could divide the global population of the 1KG into five clusters and could further divide the East Asian population into four clusters: Japanese, Han Chinese, Dai Chinese, and Kinh in Ho Chi Minh City of Vietnam. In summary, the 19-AISNP panel may serve as a useful and cost-effective tool for forensic ancestry inference in East Asian populations at a finer scale.

Accurate age estimation from blood samples of Han Chinese individuals using eight high-performance age-related CpG sites.

Age-related CpG sites (AR-CpGs) are currently the most promising biomarkers for forensic age estimation. In our previous studies, we first validated the age correlation of seven reported AR-CpGs in blood samples of Chinese Han population. Subsequently, we screened some good age predictors from blood samples of Chinese Han population, and built pyrosequencing-based age prediction models. However, it is still important to select a set of high-performance AR-CpGs in a specific racial group and establish a simple and efficient method for accurate age estimation for forensic purpose. In this study, eight AR-CpGs, namely chr6: 11,044,628 (ELOVL2), cg06639320 (FHL2), chr1: 207,823,723 (C1orf132), cg19283806 (CCDC102B), cg14361627 (KLF14), cg17740900 (SYNE2), cg07553761 (TRIM59), and cg26947034, were selected based on our previous studies, and a multiplex methylation SNaPshot assay was developed to investigate DNA methylation levels at these AR-CpGs in 529 blood samples (aged 2-82 years) from Han Chinese population. All selected CpG sites showed strong age correlation with the correlation coefficient (r) from 0.8363 to 0.9251. Multiple linear regression (MLR) and support vector regression (SVR) age prediction models were simultaneously established to fit change characteristics of DNA methylation levels of eight AR-CpGs with the age in 374 donors' blood samples. The MLR model enabled age prediction with R2 = 0.923, mean absolute error (MAE) = 3.52, while the SVR model enabled age prediction with R2 = 0.935, MAE = 2.88. One hundred fifty-five independent samples were used as a validation set to test the two models' performance, and the prediction MAE for the validation set was 3.71 and 3.34 for the MLR and SVR models, respectively. For the MLR and SVR models, the correct prediction rate at ± 5 years reached a high level of 79.35% and 83.23%, respectively. In general, these statistical parameters indicated that the SVR model outperformed the MLR model in age prediction of the Han Chinese population. In addition, our method provides sufficient sensitivity in forensic applications and allows for 100% efficiency when examining bloodstains kept in room conditions for up to 43 days. These results indicate that our multiplex methylation SNaPshot assay is a reliable, effective, and accurate method for age prediction in blood samples from the Chinese Han population.

A Snapshot Imaging Spectrometer Based on Uniformly Distributed-Slit Array (UDA).

Herein, we propose a system for a snapshot video hyperspectral imaging method based on a uniformly distributed-slit array (UDA) coding plate that not only effectively improves the scanning speed of spectrometers but also achieves a high spectral fidelity of snapshot videos. A mathematical model and optical link simulation of the new system are established. The analysis results show that the proposed method can more efficiently collect information and restore the spectral data cube, and the spectral smile of the system is less than 4.86 µm. The results of the spectral performance and external imaging tests of the system show that the system has the ability to collect spatial spectrum video information with a frame rate of 10 Hz and identify dynamic targets, laying a foundation for the design of a system with a higher frame rate and resolution.

Image Classification of Wheat Rust Based on Ensemble Learning.

Rust is a common disease in wheat that significantly impacts its growth and yield. Stem rust and leaf rust of wheat are difficult to distinguish, and manual detection is time-consuming. With the aim of improving this situation, this study proposes a method for identifying wheat rust based on ensemble learning (WR-EL). The WR-EL method extracts and integrates multiple convolutional neural network (CNN) models, namely VGG, ResNet 101, ResNet 152, DenseNet 169, and DenseNet 201, based on bagging, snapshot ensembling, and the stochastic gradient descent with warm restarts (SGDR) algorithm. The identification results of the WR-EL method were compared to those of five individual CNN models. The results show that the identification accuracy increases by 32%, 19%, 15%, 11%, and 8%. Additionally, we proposed the SGDR-S algorithm, which improved the f1 scores of healthy wheat, stem rust wheat and leaf rust wheat by 2%, 3% and 2% compared to the SGDR algorithm, respectively. This method can more accurately identify wheat rust disease and can be implemented as a timely prevention and control measure, which can not only prevent economic losses caused by the disease, but also improve the yield and quality of wheat.

A Covariance Matrix Reconstruction Approach for Single Snapshot Direction of Arrival Estimation.

Achieving accurate single snapshot direction of arrival (DOA) information significantly improves communication performance. This paper investigates an accurate and high-resolution DOA estimation technique by enabling single snapshot data collection and enhancing DOA estimation results compared to multiple snapshot methods. This is carried out by manipulating the incoming signal covariance matrix while suppressing undesired additive white Gaussian noise (AWGN) by actively updating and estimating the antenna array manifold vector. We demonstrated the estimation performance in simulation that our proposed technique supersedes the estimation performance of existing state-of-the-art techniques in various signal-to-noise ratio (SNR) scenarios and single snapshot sampling environments. Our proposed covariance-based single snapshot (CbSS) technique yields the lowest root-mean-squared error (RMSE) against the true DOA compared to root-MUSIC and the partial relaxation (PR) approach for multiple snapshots and a single signal source environment. In addition, our proposed technique presents the lowest DOA estimation performance degradation in a multiple uncorrelated and coherent signal source environment by up to 25.5% with nearly negligible bias. Lastly, our proposed CbSS technique presents the best DOA estimation results for a single snapshot and single-source scenario with an RMSE of 0.05° against the true DOA compared to root-MUSIC and the PR approach with nearly negligible bias as well. A potential application for CbSS would be in a scenario where accurate DOA estimation with a small antenna array form factor is a limitation, such as in the intelligent transportation system industry and wireless communication.

Intermolecular Interactions and Spectroscopic Signatures of the Hydrogen-Bonded System-n-Octanol in Experimental and Theoretical Studies.

n-Octanol is the object of experimental and theoretical study of spectroscopic signatures and intermolecular interactions. The FTIR measurements were carried out at 293 K for n-octanol and its deuterated form. Special attention was paid to the vibrational features associated with the O-H stretching and the isotope effect. Density Functional Theory (DFT) in its classical formulations was applied to develop static models describing intermolecular hydrogen bond (HB) and isotope effect in the gas phase and using solvent reaction field reproduced by Polarizable Continuum Model (PCM). The Atoms in Molecules (AIM) theory enabled electronic structure and molecular topology study. The Symmetry-Adapted Perturbation Theory (SAPT) was used for energy decomposition in the dimers of n-octanol. Finally, time-evolution methods, namely classical molecular dynamics (MD) and Car-Parrinello Molecular Dynamics (CPMD) were employed to shed light onto dynamical nature of liquid n-octanol with emphasis put on metric and vibrational features. As a reference, CPMD gas phase results were applied. Nuclear quantum effects were included using Path Integral Molecular Dynamics (PIMD) and a posteriori method by solving vibrational Schrödinger equation. The latter applied procedure allowed to study the deuterium isotope effect.

Motion-insensitive susceptibility weighted imaging.

PURPOSE: To enable SWI that is robust to severe head movement. METHODS: Prospective motion correction using a markerless optical tracker was applied to all pulse sequences. Three-dimensional gradient-echo and 3D EPI were used as reference sequences, but were expected to be sensitive to motion-induced B0 changes, as the long TE required for SWI allows phase discrepancies to accumulate between shots. Therefore, 2D interleaved snapshot EPI was investigated for motion-robust SWI and compared with conventional 2D EPI. Repeated signal averages were retrospectively corrected for motion. The sequences were evaluated at 3 T through controlled motion experiments involving two cooperative volunteers and SWI of a tumor patient. RESULTS: The performed continuous head motion was in the range of 5-8° rotations. The image quality of the 3D sequences and conventional 2D EPI was poor unless the rotational motion axis was parallel to B0 . Interleaved snapshot EPI had minimal intraslice phase discrepancies due to its small temporal footprint. Phase inconsistency between signal averages was well tolerated due to the high-pass filter effect of the SWI processing. Interleaved snapshot EPI with prospective and retrospective motion correction demonstrated similar image quality, regardless of whether motion was present. Lesion depiction was equal to 3D EPI with matching resolution. CONCLUSION: Susceptibility-based imaging can be severely corrupted by head movement despite accurate prospective motion correction. Interleaved snapshot EPI is a superior alternative for patients who are prone to move and offers SWI which is insensitive to motion when combined with prospective and retrospective motion correction.