MRI significantly improves the accuracy and reliability of target delineation in radiation therapy for certain tumors due to its superior soft tissue contrast compared to CT. A treatment planning process with MRI as the sole imaging modality will eliminate systematic CT/MRI co-registration errors, reduce cost and radiation exposure, and simplify clinical workflow. However, MRI lacks the key electron density information necessary for accurate dose calculation and generating reference images for patient setup. The purpose of this work is to develop a unifying method to derive electron density from standard T1-weighted MRI. We propose to combine both intensity and geometry information into a unifying probabilistic Bayesian framework for electron density mapping. For each voxel, we compute two conditional probability density functions (PDFs) of electron density given its: (1) T1-weighted MRI intensity, and (2) geometry in a reference anatomy, obtained by deformable image registration between the MRI of the atlas and test patient. The two conditional PDFs containing intensity and geometry information are combined into a unifying posterior PDF, whose mean value corresponds to the optimal electron density value under the mean-square error criterion. We evaluated the algorithm's accuracy of electron density mapping and its ability to detect bone in the head for eight patients, using an additional patient as the atlas or template. Mean absolute HU error between the estimated and true CT, as well as receiver operating characteristics for bone detection (HU > 200) were calculated. The performance was compared with a global intensity approach based on T1 and no density correction (set whole head to water). The proposed technique significantly reduced the errors in electron density estimation, with a mean absolute HU error of 126, compared with 139 for deformable registration (p = 2 × 10(-4)), 283 for the intensity approach (p = 2 × 10(-6)) and 282 without density correction (p = 5 × 10(-6)). For 90% sensitivity in bone detection, the proposed method achieved a specificity of 86%, compared with 80, 11 and 10% using deformable registration, intensity and without density correction, respectively. Notably, the Bayesian approach was more robust against anatomical differences between patients, with a specificity of 62% in the worst case (patient), compared to 30% specificity in registration-based approach. In conclusion, the proposed unifying Bayesian method provides accurate electron density estimation and bone detection from MRI of the head with highly heterogeneous anatomy.
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http://dx.doi.org/10.1088/0031-9155/59/21/6595 | DOI Listing |
Nat Commun
January 2025
School of Emergent Soft Matter, South China University of Technology, Guangzhou, China.
Radioactive molecular iodine (I) is a critical volatile pollutant generated in nuclear energy applications, necessitating sensors that rapidly and selectively detect low concentrations of I vapor to protect human health and the environment. In this study, we design and prepare a three-component sensing material comprising reduced graphene oxide (rGO) as the substrate, silver iodide (AgI) particles as active sites, and polystyrene sulfonate as an additive. The AgI particles enable reversible adsorption and conversion of I molecules into polyiodides, inducing substantial charge density variation in rGO.
View Article and Find Full Text PDFNat Commun
January 2025
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, PR China.
All-perovskite tandem solar cells (APTSCs) offer the potential to surpass the Shockley-Queisser limit of single-junction solar cells at low cost. However, high-performance APTSCs contain unstable methylammonium (MA) cation in the tin-lead (Sn-Pb) narrow bandgap subcells. Currently, MA-free Sn-Pb perovskite solar cells (PSCs) show lower performance compared with their MA-containing counterparts.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
January 2025
Department of Physics, Liaoning University, Shenyang 110036, Liaoning, China. Electronic address:
To investigate the influence of the position and quantity of thiophene or acetylene groups on the photoelectric properties of dye-sensitized solar cells (DSSCs), density functional theory (DFT) were employed to simulate five zinc porphyrin dye molecules (T-3, T-3-D, T-3-A, T-3-AD, and T-3-ace). The optimized geometry indicated that T-3-ace possessed superior planar properties, attributed to incorporating the acetylene groups, facilitating the charge transfer process. The lower lowest unoccupied molecular orbital (LUMO) energy levels of T-3-ace and T-3-D suggested that introducing thiophene or acetylene groups on the donor side enhanced the electron absorption capability of the dyes.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
January 2025
Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, University Road, Abbottabad 22060 Pakistan.
A highly selective naphthalimide based fluorescent probe PBQ was designed for investigation of doxycycline (DOX) in various real samples. The synthesized probe PBQ showed maximum emission intensity at 395 nm and exhibited selective quenching response-based on photoinduced electron transfer (PET) mechanism even in the presence of various competing and interfering drugs, amino acids, cations and anions. Furthermore, probe PBQ showed excellent AIEE properties with red shift in maximum emission wavelength due to formations of J-aggregates.
View Article and Find Full Text PDFJ Mol Graph Model
January 2025
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, PO Box 2457, Riyadh, 11451, Saudi Arabia.
Investigating effective nanomaterials for the detection of hydroxyurea anticancer drugs is essential for promoting human health and safeguarding environmental integrity. This research utilized first-principles estimations for examining the adhesion and electronic characteristics of hydroxyurea (HU) on both pristine and Si-decorated innovative two-dimensional boron nitride allotrope, known as Irida analogous (Ir-BNNS). Analyzing the adsorption energy revealed that the HU molecule has a significant interaction (E = -1.
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