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1.
Sci Rep ; 13(1): 18921, 2023 Nov 02.
Artigo em Inglês | MEDLINE | ID: mdl-37919417

RESUMO

Developments in data mining techniques have significantly influenced the progress of Intelligent Water Systems (IWSs). Learning about the hydraulic conditions enables the development of increasingly reliable predictive models of water consumption. The non-stationary, non-linear, and inherent stochasticity of water consumption data at the level of a single water meter means that the characteristics of its determinism remain impossible to observe and their burden of randomness creates interpretive difficulties. A deterministic model of water consumption was developed based on data from high temporal resolution water meters. Seven machine learning algorithms were used and compared to build predictive models. In addition, an attempt was made to estimate how many water meters data are needed for the model to bear the hallmarks of determinism. The most accurate model was obtained using Support Vector Regression (8.9%) and the determinism of the model was achieved using time series from eleven water meters of multi-family buildings.

2.
Entropy (Basel) ; 24(11)2022 Oct 29.
Artigo em Inglês | MEDLINE | ID: mdl-36359651

RESUMO

The study of leukemia classification using deep learning techniques has been conducted by multiple research teams worldwide. Although deep convolutional neural networks achieved high quality of sick vs. healthy patient discrimination, their inherent lack of human interpretability of the decision-making process hinders the adoption of deep learning techniques in medicine. Research involving deep learning proved that distinguishing between healthy and sick patients using microscopic images of lymphocytes is possible. However, it could not provide information on the intermediate steps in the diagnosis process. As a result, despite numerous examinations, it is still unclear whether the lymphocyte is the only object in the microscopic picture containing leukemia-related information or if the leukocyte's surroundings also contain the desired information. In this work, entropy measures and machine learning models were applied to study the informativeness of both whole images and lymphocytes' surroundings alone for Leukemia classification. This work aims to provide human-interpretable features marking the probability of sickness occurrence. The research stated that the hue distribution of images with lymphocytes obfuscated alone is informative enough to facilitate 93.0% accuracy in healthy vs. sick classification. The research was conducted on the ALL-IDB2 dataset.

3.
Polymers (Basel) ; 10(3)2018 Mar 06.
Artigo em Inglês | MEDLINE | ID: mdl-30966308

RESUMO

Interactions between hyaluronan (A-) and phospholipids play a key role in many systems in the human body. One example is the articular cartilage system, where the synergistic effect of such interactions supports nanoscale lubrication. A molecular dynamics simulation has been performed to understand the process of formation of hydrogen bonds inside the hyaluronan network, both in the presence and absence of phospholipids. Additionally, the effect of the molecular mass of (A-) was analyzed. The main finding of this work is a robust demonstration of the optimal parameters (H-bond energy, molecular mass) influencing the facilitated lubrication mechanism of the articular cartilage system. Simulation results show that the presence of phospholipids has the greatest influence on hyaluronan at low molecular mass. We also show the specific sites of H-bonding between chains. Simulation results can help to understand how hyaluronan and phospholipids interact at several levels of articular cartilage system functioning.

4.
Polymers (Basel) ; 10(5)2018 May 22.
Artigo em Inglês | MEDLINE | ID: mdl-30966594

RESUMO

Glycosaminoglycans are a wide class of biopolymers showing great lubricating properties due to their structure and high affinity to water. Two of them, hyaluronic acid and chondroitin sulfate, play an important role in articular cartilage lubrication. In this work, we present results of the all-atom molecular dynamics simulations of both molecules placed in water-based solution. To mimic changes of the physiological conditions, especially temperature, of the synovial fluid in joints under successive load (e.g., walking, jogging, jumping), simulations have been performed at different physiological temperatures in the range of 300 to 320 Kelvin (normal intra-articular temperature is 305 K). The stability of the biopolymeric network at equilibrium (isothermal and isobaric) conditions has been studied. To understand the process of physical crosslinking, the dynamics of intra- and intermolecular hydrogen bonds forming and breaking have been studied. The results show that following addition of chondroitin sulfate, hyaluronan creates more intermolecular hydrogen bonds than when in homogeneous solution. The presence of chondroitin in a hyaluronan network is beneficial as it may increase its stability. Presented data show hyaluronic acid and chondroitin sulfate as viscosity modifiers related to their crosslinking properties in different physicochemical conditions.

5.
Int J Mol Sci ; 18(12)2017 Dec 20.
Artigo em Inglês | MEDLINE | ID: mdl-29261165

RESUMO

Lubrication of articular cartilage is a complex multiscale phenomenon in synovial joint organ systems. In these systems, synovial fluid properties result from synergistic interactions between a variety of molecular constituent. Two molecular classes in particular are of importance in understanding lubrication mechanisms: hyaluronic acid and phospholipids. The purpose of this study is to evaluate interactions between hyaluronic acid and phospholipids at various functionality levels during normal and pathological synovial fluid conditions. Molecular dynamic simulations of hyaluronic acid and phospholipids complexes were performed with the concentration of hyaluronic acid set at a constant value for two organizational forms, extended (normal) and coiled (pathologic). The results demonstrated that phospholipids affect the crosslinking mechanisms of hyaluronic acid significantly and the influence is higher during pathological conditions. During normal conditions, hyaluronic acid and phospholipid interactions seem to have no competing mechanism to that of the interaction between hyaluronic acid to hyaluronic acid. On the other hand, the structures formed under pathologic conditions were highly affected by phospholipid concentration.


Assuntos
Cartilagem Articular/metabolismo , Ácido Hialurônico/química , Simulação de Dinâmica Molecular , Osteoartrite/metabolismo , Fosfolipídeos/química , Animais , Reagentes de Ligações Cruzadas/química , Humanos , Ácido Hialurônico/metabolismo , Fosfolipídeos/metabolismo
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