Search results for "QM"
showing 10 items of 284 documents
Does the addition of single joint exercises to a resistance training program improve changes in performance and anthropometric measures in untrained …
2018
The present study compared changes in muscle performance and anthropometric measures in young men performing resistance training (RT) programs composed of only multi joint (MJ) exercises, or with the addition of single joint (SJ) exercises (MJ+SJ). Twenty untrained men were randomized to MJ or MJ+SJ groups for 8 weeks. Both groups performed the same MJ exercises. The difference was that the MJ+SJ group added SJ exercises for upper and lower limbs. Participants were tested for 10 repetitions maximum (10RM), flexed arm circumference, and biceps and triceps skinfolds. Both groups significantly increased 10RM load for the bench press (MJ 38.5%, MJ+SJ 40.1%), elbow extension (MJ 28.7%, MJ+SJ 31.…
Using deep neural networks for kinematic analysis: Challenges and opportunities
2020
Kinematic analysis is often performed in a lab using optical cameras combined with reflective markers.\ud With the advent of artificial intelligence techniques such as deep neural networks, it is now possible\ud to perform such analyses without markers, making outdoor applications feasible. In this paper I summarise\ud 2D markerless approaches for estimating joint angles, highlighting their strengths and limitations.\ud In computer science, so-called ‘‘pose estimation” algorithms have existed for many years. These methods\ud involve training a neural network to detect features (e.g. anatomical landmarks) using a process called\ud supervised learning, which requires ‘‘training” images to be …
La costruzione muraria ad Alcamo nell’espansione extra-moenia
2021
Negli ultimi anni, il progressivo passaggio - non solo in ambito strutturale ma anche riguardo ai temi dell’efficienza energetica, della sicurezza antincendio e dell’accessibilità - da norme che prevedono un approccio prescrittivo a norme di tipo prestazionale ha contribuito a demolire il preconcetto di un’inadeguabilità, se non a costo di interventi incongrui o economicamente non sostenibili, del patrimonio edilizio storico rispetto alle istanze di sicurezza, benessere e fruibilità. Questo preconcetto, spesso generato ed alimentato più da una non approfondita conoscenza della costruzione storica che da presupposti fondati, ha contribuito all’abbandono ed al conseguente degrado di gran part…
New QM/MM implementation of the DFTB3 method in the gromacs package.
2015
The approximate density-functional tight-binding theory method DFTB3 has been implemented in the quantum mechanics/molecular mechanics (QM/MM) framework of the Gromacs molecular simulation package. We show that the efficient smooth particle–mesh Ewald implementation of Gromacs extends to the calculation of QM/MM electrostatic interactions. Further, we make use of the various free-energy functionalities provided by Gromacs and the PLUMED plugin. We exploit the versatility and performance of the current framework in three typical applications of QM/MM methods to solve biophysical problems: (i) ultrafast proton transfer in malonaldehyde, (ii) conformation of the alanine dipeptide, and (iii) el…
Statistical analysis of yeast genomic downstream sequences reveals putative polyadenylation signals
2000
The study of a few genes has permitted the identification of three elements that constitute a yeast polyadenylation signal: the efficiency element (EE), the positioning element and the actual site for cleavage and polyadenylation. In this paper we perform an analysis of oligonucleotide composition on the sequences located downstream of the stop codon of all yeast genes. Several oligonucleotide families appear over-represented with a high significance (referred to herein as"words"). The family with the highest over-representation includes the oligonucleotides shown experimentally to play a role as EEs. The word with the highest score is TATATA, followed, among others, by a series of singl…
RGD-mimic polyamidoamine-montmorillonite composites with tunable stiffness as scaffolds for bone tissue-engineering applications
2017
This paper reports on the development of montmorillonite (MMT)-reinforced hydrogels, based on a peptidomimetic polyamidoamine carrying guanidine pendants (AGMA1), as substrates for the osteo-induction of osteoblast precursor cells. AGMA1 hydrogels of various degrees of crosslinking responded favourably to MMT reinforcement, giving rise to composite hydrogels with shear storage modulus G', when fully swollen in water, up to 200 kPa, i.e. 20 times higher than the virgin hydrogels and of the same order or higher than other hydrogel-based composites proposed for orthopaedic applications. This significant improvement was ascribed to the effective interpenetration between the polymer matrix and t…
Correlation between polymorphism of TYMS gene and toxicity response to treatment with 5-fluoruracil and capecitabine
2020
Tumorigenesis is a multiphasic process in which genetic alterations guide the progressive transformation in cancer cells1. In order to evaluate the possible correlation between some gene variants and the risk of the toxicity development onset, two of the polymorphisms of the thymidylate synthase (TYMS), rs34743033 (2R/3R) and rs16430 (DEL/INS) were investigated. We enrolled in our study 47 patients from the Hospital of Sicily. Our preliminary findings suggest that there could be a linkage between the genotypes discussed and the development of the toxicity following the chemotherapy treatment. These results need to be confirmed by further studies, however this short paper offers some initial…
Time evolution of non-lethal infectious diseases: a semi-continuous approach.
2005
A model describing the dynamics related to the spreading of non-lethal infectious diseases in a fixed-size population is proposed. The model consists of a non-linear delay-differential equation describing the time evolution of the increment in the number of infectious individuals and depends upon a limited number of parameters. Predictions are in good qualitative agreement with data on influenza.
Ultrastructural characterization of human oligodendrocytes and their progenitor cells by pre-embedding immunogold.
2021
Oligodendrocytes are the myelinating cells of the central nervous system. They provide trophic, metabolic, and structural support to neurons. In several pathologies such as multiple sclerosis (MS), these cells are severely affected and fail to remyelinate, thereby leading to neuronal death. The gold standard for studying remyelination is the g-ratio, which is measured by means of transmission electron microscopy (TEM). Therefore, studying the fine structure of the oligodendrocyte population in the human brain at different stages through TEM is a key feature in this field of study. Here we study the ultrastructure of oligodendrocytes, its progenitors, and myelin in 10 samples of human white …
All-atom simulations to studying metallodrugs/target interactions.
2021
Abstract Metallodrugs are extensively used to treat and diagnose distinct disease types. The unique physical–chemical properties of metal ions offer tantalizing opportunities to tailor effective scaffolds for selectively targeting specific biomolecules. Modern experimental techniques have collected a large body of structural data concerning the interactions of metallodrugs with their biomolecular targets, although being unable to exhaustively assess the molecular basis of their mechanism of action. In this scenario, the complementary use of accurate computational methods allows uncovering the minutiae of metallodrugs/targets interactions and their underlying mechanism of action at an atomic…