... Numerical Methods for Stochastic Molecular Dynamics -- 8. ...
Interdisciplinary Applied Mathematics, ISSN 0939-6047 39
1st edition XXII, 443 stran : ilustrace ; 24 cm
- MeSH
- Mathematics MeSH
- Molecular Dynamics Simulation MeSH
- Publication type
- Monograph MeSH
- Conspectus
- Matematika
- NML Fields
- přírodní vědy
Cílem studie bylo ověřit vliv statického a dynamického způsobu protahování hamstringů u probandů studující tělesnou výchovu a sport na PF UJEP. Flexibilita byla diagnostikována prostřednictvím modifikované Lassegueovy zkoušky (SLR). V předkládané studii byl sledován rozdíl mezi dosaženými úhly zadní strany stehna u dominantní dolní končetiny před aplikací a po aplikaci statických a dynamických protahovacích cvičení pomocí SLR provedené švihem nebo tahem. Pro sběr dat bylo využito videozá- znamu (2D), který byl zpracován softwarem Dartfish Team Pro Data. Pomocí tohoto programu byly hodnoty úhlu převedeny na vzdálenost v centimetrech a vyhodnoceny. Výsledky prokázaly, že nebyly zjištěny statisticky významné rozdíly v hodnotách ROM při působení statického a dynamického způsobu protahování. Signifikantní rozdíly se však projevily mezi výchozím a výsledným úhlem dominantní dolní končetiny při působení dynamického strečinku, kde byl u SLR pohyb proveden švihem.
The aim of the study was to assess the effect of static and dynamic way of stretching the hamstrings in probands studying physical education and sport at UJEP. Flexibility was diagnosed through a modified Lassegueovy test (SLR). In the present study, we evaluated the differences between the angles of the back of the thigh in the dominant lower limb before and after the application of static and dynamic stretching exercises performed using SLR push or pull. For data collection were used video (2D), which was developed software Dartfish Team Pro Data. With this program were converted to values of the angle distance in centimeters and evaluated. The results showed that there were no significant differences in ROM when exposed to static and dynamic stretching method. Significant differences, however, showed between the initial and final angle dominant lower limb when exposed to dynamic stretching, where the movement was executed swing.
An extensive conformational search in explicit solvent was performed in order to compare the influence of different long-range electrostatic interaction treatments in molecular dynamics. The short peptide endothelin-1 was selected as the subject of molecular dynamics studies that started from both X-ray and NMR obtained structures. Electrostatic interactions were treated using two of the most common methods--residue-based cutoff and particle mesh Ewald (PME). Analyses of free energy calculations (MM-PBSA method used), secondary structure elements and hydrogen bonds were performed, and there suggested that there is no unambiguous conclusion about which of the two methods of long-range electrostatics treatment should be used in MD simulations in this case. The most reliable data was provided by a trajectory that started with the NMR structure and used the cutoff method to treat electrostatic interactions. This leads to a recommendation that the choice of electrostatics treatment should be made carefully and not automatically by choosing the PME method simply because it is the most widely used.
Tenis je dynamický šport, pri ktorom dochádza k jednostrannému zaťažovaniu polovice tela, najmä hornej končatiny. Výskum sme uskutočnili z dôvodu nedostatku informácií o zmene rozsahu pohyblivosti, ktoré by boli zacielené na oblasť ruky a zápästia tenistov. Dáta sme získavali pomocou goniometrického merania zápästného kĺbu v sagitálnej a frontálnej rovine a meranie abdukcie palca vo frontálnej a sagitálnej rovine. Merania sme vykonávali na dominantnej ruke a porovnávali s dátami získaných identickým meraním na nedominantnej ruke. Vyšetrenie sme uskutočnili na vzorke 30 tenisových aktívnych hráčov. Výsledky sme štatisticky vyhodnocovali a vzájomne porovnávali. Na základe analýzy dát môžeme tvrdiť, že najväčšie obmedzenie dominantnej ruky, bolo v smere abdukcie palca v oboch rovinách, ďalej významné obmedzenie bolo preukázané v smere dorzálnej flexie a ulnárnej dukcie zápästia. Čiastočné obmedzenie rozsahu pohyblivosti dominantnej ruky bolo preukázané vo všetkých smeroch pohybu zápästného kĺbu.
Tennis is dynamic sport with significant one-sided loading, especially of upper limb. We decided to do the research because there is no valid evidence about changes of wrist´s range of motion of these athletes. We were gathering data with usage of goniometric measurements on wrist joint in sagital and frontal view and on thumb in frontal and transversal view. We were comparing data taken from dominant and non-dominant hand (NH). Measuring was made on group of 30 active players of tennis. This data had been evaluated and compared to each other. Based on analysis we can say that by comparig the range of motion of both hands there was significant decrease of dorsal flexion and ulnar duction and abduction of thumb on dominant hand. Small decrease of range of motion (ROM) in dominant-hand (DH) wrist was shown in all measured movements.
Tenis, bedminton a stolný tenis sú dynamické športy, pri ktorých dochádza k jednostrannému zaťažovaniu polovice tela, najmä hornej končatiny. Výskum sme uskutočnili z dôvodu nedostatku informácií o zmene rozsahu pohyblivosti, ktoré by boli zacielené na oblasť ruky a zápästia hráčov vybraných raketových športov. Dáta sme získavali pomocou goniometrického merania zápästného kĺbu v sagitálnej a frontálnej rovine. Merania sme vykonávali na dominantnej ruke a porovnávali s dátami získanými identickým meraním na nedominantnej ruke. Vyšetrenie sme uskutočnili na vzorke 30 aktívnych hrá- čov v tenise, 30 hráčov v bedmintone a 30 hráčov v stolnom tenise. Respondenti boli muži a ženy vo veku od 15 do 18 rokov. Výsledky sme štatisticky vyhodnocovali a vzájomne porovnávali. Na základe analýzy dát medzi jednotlivými športmi môžeme tvrdiť, že najväčšie obmedzenie dominantnej ruky, bolo v smere dorzálnej flexie zápästia vo všetkých troch športoch, najviac v stolnom tenise. Obmedzenie rozsahu pohyblivosti dominantnej ruky bolo preukázané vo všetkých smeroch pohybu zápästného kĺbu, rôzne v každom jednom športe. Palmárna flexia a radiálna dukcia bola najviac obmedzená na dominantnej ruke bedmintonových hráčov. Ulnárna dukcia bola najviac zmenšená na dominantnej ruke tenisových hráčov.
Tenis, badminton and table tenis is dynamic sport with significant one-sided loading, especially upper limb. We decided to do the research because there is no valid evidence about changes of wrist´s range of motion of these athletes. We were gathering data with usage of goniometric measurements on wrist joint in sagital and frontal view and on thumb in frontal and transversal view. We were comparing data taken from dominant and non-dominant hand (NH). Measuring was made on group of 30 active players of tenis, on group of 30 active players of badminton and group of 30 active players of table tenis. All respondents were in the age of 15 - 18 and of both genders. These data had been evaluated and compared to each other. Based on analysis we can say that by comparig the range of motion (ROM) of both hands there was significant decrease of dorsal flexion in each examined sport, but mostly in table tennis. Decrease of ROM on dominant hand (DH) was proven in every direction of wrist joint, differently in each sport. Palmar flection and radial duction was decreased mostly on DH of badminton players. Ulnar duction was was decreased mostly on DH of tennis players.
xxiv, 686 s. : il. ; 26 cm
- MeSH
- Nuclear Magnetic Resonance, Biomolecular MeSH
- Publication type
- Handbook MeSH
- Conspectus
- Patologie. Klinická medicína
- NML Fields
- radiologie, nukleární medicína a zobrazovací metody
- MeSH
- Adult MeSH
- Hip Joint * MeSH
- Humans MeSH
- Adolescent MeSH
- Young Adult MeSH
- Range of Motion, Articular * MeSH
- Statistics as Topic MeSH
- Muscle Stretching Exercises * MeSH
- Hamstring Muscles MeSH
- Check Tag
- Adult MeSH
- Humans MeSH
- Adolescent MeSH
- Young Adult MeSH
- Male MeSH
- Female MeSH
- Publication type
- Research Support, Non-U.S. Gov't MeSH
- Comparative Study MeSH
The knowledge of the dynamic extremes of human voice is important for voice diagnostics and for scientific purposes. Numerous authors have published on the dynamic range of human voice but the methodology has been quite heterogenous and the exact values of the dynamic extremes are often unclear. There has been a need for a carefully documented study about measuring extreme limits of normal voice with easily reproducible methodology. We measured 37 subjects, 23 women and 14 men for this experiment. Two microphones were used (one head-mounted and one stand-mounted), which were calibrated at a standard distance 30 cm from the mouth. The head-mounted microphone was used for measuring the softest phonations and the stand-mounted for measuring the loudest ones. The loudest level was determined from calling the Czech words “Hej, Hou, Haló” as the peak sound level. The softest level was determined as a minimum of the fast time-weighted sound level from the softest sustained phonations on vowel [a:]. The standard weighting filtres A, C or Z and a custom high-pass filter were used to decrease ambient noise. The level of the loudest phonation was found to be 127 dB at 30 cm from the mouth (male subject) and the softest phonation was found to be 31 dB (A-weighted) at 30 cm from mouth (male subject). These levels appear to be greater than those measured previously and can serve as a basis for specifying dynamic ranges of microphone intended for voice measurements.
- MeSH
- Speech Acoustics MeSH
- Audiovisual Aids utilization MeSH
- Human Experimentation MeSH
- Financing, Organized MeSH
- Phonation physiology MeSH
- Phonetics MeSH
- Voice physiology MeSH
- Calibration MeSH
- Voice Quality physiology MeSH
- Humans MeSH
- Speech Perception MeSH
- Signal Processing, Computer-Assisted instrumentation MeSH
- Statistics as Topic MeSH
- Wavelet Analysis MeSH
- Pitch Perception MeSH
- Check Tag
- Humans MeSH
Highly Ca2+ selective channels trigger a large variety of cellular signaling processes in both excitable and non-excitable cells. Among these channels, the Orai channel is unique in its activation mechanism and its structure. It mediates Ca2+ influx into the cytosol with an extremely small unitary conductance over longer time-scales, ranging from minutes up to several hours. Its activation is regulated by the Ca2+ content of the endoplasmic reticulum (ER). Depletion of luminal [Ca2+]ER is sensed by the STIM1 single transmembrane protein that directly binds and gates the Orai1 channel. Orai mediated Ca2+ influx increases cytosolic Ca2+ from 100 nM up to low micromolar range close to the pore and thereby forms Ca2+ microdomains. Hence, these features of the Orai channel can trigger long-term signaling processes without affecting the overall Ca2+ content of a single living cell. Here we focus on the architecture and dynamic conformational changes within the Orai channel. This review summarizes current achievements of molecular dynamics simulations in combination with live cell recordings to address gating and permeation of the Orai channel with molecular precision.
- MeSH
- Humans MeSH
- Neoplasm Proteins chemistry metabolism MeSH
- ORAI1 Protein chemistry metabolism MeSH
- Stromal Interaction Molecule 1 chemistry metabolism MeSH
- Molecular Dynamics Simulation * MeSH
- Calcium metabolism MeSH
- Check Tag
- Humans MeSH
- Publication type
- Journal Article MeSH
- Research Support, Non-U.S. Gov't MeSH
- Review MeSH
Human stimulator of interferon genes (hSTING) is a signaling adaptor protein that triggers innate immune system by response to cytosolic DNA and second messenger cyclic dinucleotides (CDNs). Natural CDNs contain purine nucleobase with different phosphodiester linkage types (3'-3', 2'-2' or mixed 2'-3'-linkages) and exhibit different binding affinity towards hSTING, ranging from micromolar to nanomolar. High-affinity CDNs are considered as suitable candidates for treatment of chronic hepatitis B and cancer. We have used molecular dynamics simulations to investigate dynamical aspects of binding of natural CDNs (specifically, 2'-2'-cGAMP, 2'-3'-cGAMP, 3'-3'-cGAMP, 3'-3'-c-di-AMP, and 3'-3'-c-di-GMP) with hSTINGwt protein. Our results revealed that CDN/hSTINGwt interactions are controlled by the balance between fluctuations (conformational changes) in the CDN ligand and the protein dynamics. Binding of different CDNs induces different degrees of conformational/dynamics changes in hSTINGwt ligand binding cavity, especially in α1-helices, the so-called lid region and α2-tails. The ligand residence time in hSTINGwt protein pocket depends on different contribution of R232 and R238 residues interacting with oxygen atoms of phosphodiester groups in ligand, water distribution around interacting charged centers (in protein residues and ligand) and structural stability of closed conformation state of hSTINGwt protein. These findings may perhaps guide design of new compounds modulating hSTING activity.Communicated by Ramaswamy H. Sarma.
- MeSH
- Dinucleoside Phosphates * chemistry MeSH
- DNA MeSH
- Humans MeSH
- Ligands MeSH
- Oligonucleotides MeSH
- Molecular Dynamics Simulation * MeSH
- Check Tag
- Humans MeSH
- Publication type
- Journal Article MeSH
