A simple, efficient and accurate method for the estimation of crystal densities is of interest for different applications. By analysis of the Cambridge Structural Database (CSD) we derived an average atom volume method to estimate the cell volume for a given formula and Z value. This method extends the work of Mighell et al. (1987) by inclusion of the thermal expansion and error estimation.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1107/s0108768101021814 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Trapezoidal back projection for positron emission tomography reconstruction.
EJNMMI Phys
December 2024
Department of Control Engineering and Information Technology, Budapest University of Technology and Economics, Műegyetem rkp. 3., Budapest, 1111, Hungary.
Background: In the back projection step of the 3D PET reconstruction, all Lines of Responses (LORs) that go through a given voxel need to be identified and included in an integral. The standard Monte Carlo solution to this task samples stochastically the surfaces of the detector crystals and the volume of the voxel to search for valid LORs. To get a low noise Monte Carlo estimate, the number of samples needs to be very high, making the computational cost of the projection significant.
View Article and Find Full Text PDFFacile CVD Fabrication of Vertically Aligned MoS Nanosheets with Embedded MoO on Molybdenum for High-Performance Binder-Free Lithium-Ion Battery Anodes.
ACS Omega
December 2024
2D Materials and Devices Laboratory, Department of Physics and Nanotechnology, SRM Institute of Science and Technology, Kattankulathur 603 203, Tamil Nadu, India.
The demand for compact energy storage devices necessitates the development of high-performance anode materials directly integrated with current collectors, minimizing or eliminating the need for binders or additives. With its layered structure and high theoretical capacity, molybdenum disulfide (MoS) is regarded as a promising anode material for lithium-ion batteries (LIBs). Here, we report chemical vapor deposition (CVD) growth of self-integrated, vertically aligned MoS nanosheets with embedded molybdenum dioxide (MoO) directly on a molybdenum foil and explore its potential as an anode material for LIBs.
View Article and Find Full Text PDFTailoring DNA Surface Interactions on Single-Layer Graphene: Comparative Analysis of Pyrene, Acridine, and Fluorenyl Methyl Linkers.
Langmuir
December 2024
International Iberian Nanotechnology Laboratory, 4715-330 Braga, Portugal.
This study investigates the effect of different linkers and solvents on the immobilization of DNA probes on graphene surfaces, which are crucial for developing high-performance biosensors. Quartz crystal microbalance with dissipation (QCM-D) measurements were used to characterize in situ and real-time the immobilization of ssDNA and hybridization efficiency on model graphene surfaces. The DNA probes immobilization kinetics and thermodynamics were systematically investigated for all the pairings between three bifunctional linkers─1-pyrenebutyric acid succinimidyl ester (PBSE), Fluorenylmethylsuccinimidyl carbonate (FSC), and Acridine Orange (AO) succinimidyl ester─and three organic solvents (DMF, DMSO, and 10% DMF/ethanol).
View Article and Find Full Text PDFSubmicromolar fluorescence 'turn-on' detection of fluoride anions using -(tetra-aryl) calix[4]pyrrole.
Org Biomol Chem
December 2024
Kangwon National University, Chun Cheon 24341, Korea.
-(tetra-aryl) picket calix[4]pyrrole 1 featuring -fluorophenyl groups at all four -positions in a -configuration has been synthesized and characterized unambiguously using single-crystal X-ray diffraction analysis. This pre-organized system possesses a deep binding pocket created by the four aryl groups so that anions can be accommodated through anion-π interactions and four-point N-H⋯anion hydrogen bonds. Single-crystal X-ray diffraction analysis of the CsF and TEAF (TEA = tetraethylammonium) complexes of receptor 1 unequivocally confirms the formation of 1 : 1 complexes, revealing the binding modes in the solid state.
View Article and Find Full Text PDFExperimental Assessment of Traction Force and Associated Fetal Brain Deformation in Vacuum-Assisted Delivery.
Ann Biomed Eng
December 2024
Biomedical Engineering and Health Systems, KTH Royal Institute of Technology, Stockholm, Sweden.
Vacuum-assisted delivery (VAD) uses a vacuum cup on the fetal scalp to apply traction during uterine contractions, assisting complicated vaginal deliveries. Despite its widespread use, VAD presents a higher risk of neonatal morbidity compared to natural vaginal delivery and biomechanical evidence for safe VAD traction forces is still limited. The aim of this study is to develop and assess the feasibility of an experimental VAD testing setup, and investigate the impact of traction forces on fetal brain deformation.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!