Related papers: A novel method for quantifying enzyme immobilizati…
Background: Cardiovascular magnetic resonance imaging (CMR) is a well established imaging tool for diagnosing and managing cardiac conditions. The integration of exercise stress with CMR (ExCMR) can enhance its diagnostic capacity. Despite…
A novel method to compute time eigenvalues of neutron transport problems is presented based on solutions to the time dependent transport equation. Using these solutions we use the dynamic mode decomposition (DMD) to form an approximate…
The storage properties of methane gas in Vycor porous glass (5.7 nm) are characterized in a wide pressure range from 0.7 MPa-89.7 MPa using Nuclear Magnetic Resonance (NMR). We demonstrate the capability of high field NMR relaxometry for…
The enzyme turnover rate is a fundamental parameter in enzyme kinetics, reflecting the catalytic efficiency of enzymes. However, enzyme turnover rates remain scarce across most organisms due to the high cost and complexity of experimental…
Nonnegative matrix factorization (NMF) has been widely used to learn low-dimensional representations of data. However, NMF pays the same attention to all attributes of a data point, which inevitably leads to inaccurate representation. For…
Polymerases are protein enzymes that move along nucleic acid chains and catalyze template-based polymerization reactions during gene transcription and replication. The polymerases also substantially improve transcription or replication…
NMR is uniquely endowed to analyze dynamics, with line shape and relaxation measurements covering timescales over several orders of magnitude. Further insight arises from pulse sequences like chemical exchange saturation transfer or…
The deployment of deep neural networks on resource-constrained devices necessitates effective model com- pression strategies that judiciously balance the reduction of model size with the preservation of performance. This study introduces a…
Deformable image registration is crucial for aligning medical images in a nonlinear fashion across different modalities, allowing for precise spatial correspondence between varying anatomical structures. This paper presents NestedMorph, a…
A coarse-grained simulation method to predict NMR spectra of ions diffusing in porous carbons is proposed. The coarse-grained model uses input from molecular dynamics simulations such as the free-energy profile for ionic adsorption, and…
We propose a first-principles time-dependent density functional theoretical (TDDFT) approach in momentum (P) space for quantitative study of electron transport in molecular devices under arbitrary biases. In this approach, the basic…
Introduction of a dielectric material in an NMR probe head modifies the frequency response of the probe circuit, a phenomenon revealed by the detuning of the probe. For NMR spectroscopy, this detuning is corrected for by tuning and matching…
NMR spectroscopy is an excellent tool for monitoring in-situ chemical reactions. In particular, DOSY measurement is well suited to characterize transient species by the determination of their sizes. However, here we bring to light a…
Deep generative models have achieved tremendous success in designing novel drug molecules in recent years. A new thread of works have shown the great potential in advancing the specificity and success rate of in silico drug design by…
Traditional cellular force-sensing techniques, such as traction force microscopy (TFM), are predominantly limited to measuring linear tractions, overlooking and technically unable to capture the nanoscale torsional forces that are critical…
Diffusion magnetic resonance imaging (dMRI) is an emerging medical technique used for describing water diffusion in an organic tissue. Typically, rank-2 tensors quantify this diffusion. From this quantification, it is possible to calculate…
Nanomechanical spectroscopy (NMS) is a recently developed approach to determine optical absorption spectra of nanoscale materials via mechanical measurements. It is based on measuring changes in the resonance frequency of a membrane…
Artificial intelligence (AI) has brought tremendous impacts on biomedical sciences from academic researches to clinical applications, such as in biomarkers' detection and diagnosis, optimization of treatment, and identification of new…
We present a theory for carrier induced ferromagnetism in diluted magnetic semi-conductor (DMS). Our approach treats on equal footing quantum fluctuations within the RPA approximation and disorder within CPA. This method allows for the…
The role of internal motions and molecular geometry on $^1$H NMR relaxation times $T_{1,2}$ in hydrocarbons is investigated using MD (molecular dynamics) simulations of the autocorrelation functions for in{\it tra}molecular $G_R(t)$ and…