background: a balanced nutrition schedule provides the essential substances for proper oral health. objectives: the aim of this study was to investigate the association between dental caries and body mass index in 6-11 year-old children in zahedan. materials and methods: in this cross-sectional study 1213 children (670 girls, 543 boys) were included. body mass index (bmi) and clinical examinati...

We propose an improvement of the known DFT-based indexing technique for fast retrieval of similar time sequences. We use the last few Fourier coee-cients in the distance computation without storing them in the index since every coeecient at the end is the complex conjugate of a coeecient at the beginning and as strong as its counterpart. We show analytically that this observation can accelerate...

We propose an improvement of the known DFT-based indexing technique for fast retrieval of similar time sequences. We use the last few Fourier coefficients in the distance computation without storing them in the index since every coefficient at the end is the complex conjugate of a coefficient at the beginning and as strong as its counterpart. We show analytically that this observation can accel...

A novel Hilbert-twin (H-twin) method is introduced as an alternative method for the computation of the resonant frequency for exponentially damped free decays embedded in noise. We also present the comparison among the following methods used to compute the dynamic elastic modulus in solids: the parametric OMI (Optimization in Multiple Intervals), the Yoshida-Magalas (YM) interpolated discrete F...

We present the major features of a new implementation of a QM-MM method that uses the DFT code Siesta to treat the quantum mechanical subsystem and the AMBER force field to deal with the classical part. The computation of the electrostatic interaction has been completely revamped to treat periodic boundary conditions exactly, using a real-space grid that encompasses the whole system. Additional...

In this work we present the current advances in the development and the applications of LIO, a lab-made code designed for density functional theory calculations in graphical processing units (GPU), that can be coupled with different classical molecular dynamics engines. This code has been thoroughly optimized to perform efficient molecular dynamics simulations at the QM/MM DFT level, allowing f...

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The structures of boron-doped fullerene B-C59 (1) as a drug delivery system (DDS), two phosphoramides (2 and 3) which were analogous to the cyclophosphamide anticancer prodrug as well as their covalently bonded structures to B-C59 (4 and 5) were optimized by DFT computations at B3LYP level of theory using 6-31G(d) basis set. Comparing compounds 4 and 5 revealed that the chloro derivative (-1429...

background and aims. childhood obesity has been associated with high refined sugar intake. the relationship between sucrose intake and development of dental caries has been established. the aim of this study was to determine the association between age-specific body mass index (bmi-for-age) and dental caries in children. materials and methods. in this cross-sectional study a total of 1003 child...