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  1. 4 Acta Biochimica Polonica

  2. 2 Acta Scientiarum Polonorum. Formatio Circumiectus

  3. 2 Żywność Technologia Jakość. Suplement

  4. 1 Acta Agrophysica

  5. 1 Acta Agrophysica. Rozprawy i Monografie

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  1. 1 Auriga R.

  2. 1 Balodis J.

  3. 1 Bankowski R.

  4. 1 Baran R.

  5. 1 Beresinska M.

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  1. 1 2020

  2. 1 2017

  3. 2 2013

  4. 1 2012

  5. 2 2007

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1

Computer modelling of human alpha 1-antitrypsin reactive site loop behaviour under mild conditions

100%
Koloczek H., Jezierski G., Pasenkiewicz-Gierula M.
Acta Biochimica Polonica
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1996
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tom 43
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nr 3
Human ai-antitrypsin (cti-PI) is a member of the serpin superfamily of proteins. The reactive site loop (RSL) of the serpin binds to the active site of its target proteinase. Deficiency of ai-antitrypsin is associated with a spontaneous conformational transition in the molecule which leads to a polymer formation. Mild conditions (1 M guanidinium-HCl), temperature and point mutations within the RSL are the factors that induce polymerisation. Initiation of this process has been associated with the disruption of a salt bridge Glu342-»Lys290. In this paper the interaction of guani- dinium ion with Glu342 and Lys290 as well as the effect of this interaction on the mobility of RSL is studied by molecular modelling.
2
Artykuł dostępny w postaci pełnego tekstu - kliknij by otworzyć plik
Content available

Computer modelling microdischarges between electrodes covered by dielectric

100%
Ivanova-Stanik I. M., Karpinski L., Scholz M.
Acta Agrophysica
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2002
|
tom 80
3
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Content available

Computer modeling of destructive fire hazards dynamics

86%
Michaylov D.
Teka Komisji Motoryzacji i Energetyki Rolnictwa
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2013
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tom 13
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nr 3
4

Possibilities of application of computer modelling for prediction of tree stand succession dynamics on the example of fir-beech tree stand in the Bieszczady Mountains

86%
Kozak I., Menszutkin V.
Forestry
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2000
|
tom 03
5

Novel approach to computer modelling of seven-helical transmembrane proteins: Current progress in the test case of bacteriorhodopsin

86%
Nikiforovich G. V., Galaktionov S., Balodis J., Marshall G. R.
Acta Biochimica Polonica
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2001
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tom 48
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nr 1
G-protein coupled receptors (GPCRs) are thought to be proteins with 7-membered transmembrane helical bundles (7TM proteins). Recently, the X-ray structures have been solved for two such proteins, namely for bacteriorhodopsin (BR) and rhodopsin (Rh), the latter being a GPCR. Despite similarities, the structures are different enough to suggest that 3D models for different GPCRs cannot be obtained directly employing 3D structures of BR or Rh as a unique template. The approach to computer modeling of 7TM proteins de­veloped in this work was capable of reproducing the experimental X-ray structure of BR with great accuracy. A combination of helical packing and low-energy conformers for loops most close to the X-ray structure possesses the r.m.s.d. value of 3.13 Ä. Such a level of accuracy for the 3D-structure prediction for a 216-residue protein has not been achieved, so far, by any available ab initio procedure of protein folding. The approach may produce also other energetically consistent combinations of helical bundles and loop con- formers, creating a variety of possible templates for 3D structures of 7TM proteins, in­cluding GPCRs. These templates may provide experimentalists with various plausible op­tions for 3D structure of a given GPCR; in our view, only experiments will determine the fi­nal choice of the most reasonable 3D template.
6

The study of the interactions between ketoprofen and N-acetyl-L-tyrosine ethyl ester

86%
Zgolak K., Jeszka A., Kabzinski T.
Zeszyty Naukowe. Politechnika Łódzka. Chemia Spożywcza i Biotechnologia
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2007
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tom 71
7

Myosin molecule packing within the vertebrate skeletal muscle thick filaments. A complete bipolar model

86%
Skubiszak L., Kowalczyk L.
Acta Biochimica Polonica
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2002
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tom 49
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nr 4
Computer modelling related to the real dimensions of both the whole filament and the myosin molecule subfragments has revealed two alternative modes for myosin molecule packing which lead to the head disposition similar to that observed by EM on the surface of the cross-bridge zone of the relaxed vertebrate skeletal muscle thick fil­aments. One of the modes has been known for three decades and is usually incorpo­rated into the so-called three-stranded model. The new mode differs from the former one in two aspects: (1) myosin heads are grouped into asymmetrical cross-bridge crowns instead of symmetrical ones; (2) not the whole myosin tail, but only a 43-nm C-terminus of each of them is straightened and near-parallel to the filament axis, the rest of the tail is twisted. Concurrent exploration of these alternative modes has re­vealed their influence on the filament features. The parameter values for the filament models as well as for the building units depicting the myosin molecule subfragments are verified by experimental data found in the literature. On the basis of the new mode for myosin molecule packing a complete bipolar structure of the thick filament is cre­ated.
8
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Computer modelling as a tool for the exposure assessment of operators using faulty agricultural pesticide spraying equipment

72%
Bankowski R., Wiadrowska B., Beresinska M., Ludwicki J. K., Noworyta-Glowacka J., Godyn A., Doruchowski G., Holownicki R.
Roczniki Państwowego Zakładu Higieny
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2013
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tom 64
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nr 4
Background. Faulty but still operating agricultural pesticide sprayers may pose an unacceptable health risk for operators. The computerized models designed to calculate exposure and risk for pesticide sprayers used as an aid in the evaluation and further authorisation of plant protection products may be applied also to assess a health risk for operators when faulty sprayers are used. Obj ective. To evaluate the impact of different exposure scenarios on the health risk for the operators using faulty agricultural spraying equipment by means of computer modelling. Material and methods. The exposure modelling was performed for 15 pesticides (5 insecticides, 7 fungicides and 3 herbicides). The critical parameter, i.e. toxicological end-point, on which the risk assessment was based was the no observable adverse effect level (NOAEL). This enabled risk to be estimated under various exposure conditions such as pesticide concentration in the plant protection product and type of the sprayed crop as well as the number of treatments. Computer modelling was based on the UK POEM model including determination of the acceptable operator exposure level (AOEL). Thus the degree of operator exposure could be defined during pesticide treatment whether or not personal protection equipment had been employed by individuals. Data used for computer modelling was obtained from simulated, pesticide substitute treatments using variously damaged knapsack sprayers. These substitute preparations consisted of markers that allowed computer simulations to be made, analogous to real-life exposure situations, in a dose dependent fashion. Exposures were estimated according to operator dosimetry exposure under ‘field’ conditions for low level, medium and high target field crops. Results. The exposure modelling in the high target field crops demonstrated exceedance of the AOEL in all simulated treatment cases (100%) using damaged sprayers irrespective of the type of damage or if individual protective measures had been adopted or not. For low level and medium field crops exceedances ranged between 40 - 80% cases. Conclusions. The computer modelling may be considered as an practical tool for the hazard assessment when the faulty agricultural sprayers are used. It also may be applied for programming the quality checks and maintenance systems of this equipment.
9

FEDMA - a simple algorithm for theoretical modelling of linear metabolic pathways: from fuzzy data sets to prediction and experiment

72%
Pawlowski P. H., Zielenkiewicz P.
Acta Biochimica Polonica
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2005
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tom 52
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nr 1
A theoretical model of a chain of irreversible Michaelis-Menten reactions proceeding inside a living cell, taking cell growth, division and subcellular compartmentation into account, was proposed. It became a basis for the construction of a “fuzzy” enzymatic data-modeling algorithm (FEDMA) - a procedure allowing the estimation of missing parameter values for the modeled system, in accordance both with the derived theoretical rules and the available experimental data. The obtained tool was tested to model the heme biosynthesis pathway in Saccharomyces cerevisiae, where about 40% of parameters remain unknown. The missing parameters estimated by means of FEDMA fall in the range of expected values.
10

Efektywność niesterowanej retencji zbiornikowej na rzece Dłubni

58%
Lewicki L., Maczalowski A.
Acta Scientiarum Polonorum. Formatio Circumiectus
|
2017
|
tom 16
|
nr 3
11

Zastosowanie technologii druku 3D oraz modelowania komputerowego w projektowaniu spersonalizowanych wypełnień płyt komórkowych

58%
Auriga R., Borysiuk P., Baran R.
Biuletyn Informacyjny Ośrodka Badawczo-Rozwojowego Przemysłu Płyt Drewnopochodnych w Czarnej Wodzie
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2020
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tom 61
|
nr 3-4
12
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Fused and vaulted nasals of tyrannosaurid dinosaurs: Implications for cranial strength and feeding mechanics

58%
Snively E., Henderson D. M., Phillips D. S.
Acta Palaeontologica Polonica
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2006
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tom 51
|
nr 3
Tyrannosaurid theropods display several unusual adaptations of the skulls and teeth. Their nasals are fused and vaulted, suggesting that these elements braced the cranium against high feeding forces. Exceptionally high strengths of maxillary teeth in Tyrannosaurus rex indicate that it could exert relatively greater feeding forces than other tyrannosaurids. Areas and second moments of area of the nasals, calculated from CT cross−sections, show higher nasal strengths for large tyrannosaurids than for Allosaurus fragilis. Cross−sectional geometry of theropod crania reveals high second moments of area in tyrannosaurids, with resulting high strengths in bending and torsion, when compared with the crania of similarly sized theropods. In tyrannosaurids trends of strength increase are positively allomeric and have similar allometric exponents, indicating correlated progression towards unusually high strengths of the feeding apparatus. Fused, arched nasals and broad crania of tyrannosaurids are consistent with deep bites that impacted bone and powerful lateral movements of the head for dismembering prey.
13

Makro- i mikroskopowe modele materiałów sypkich

58%
Horabik J., Molenda M.
Acta Agrophysica. Rozprawy i Monografie
|
2003
|
nr 93
14

Can metals affect quality of products containing natural antioxidants?

58%
Wybieralska K., Wieczorek D., Szymusiak H., Zielinski R.
Towaroznawcze Problemy Jakości. Polskie Towarzystwo Towaroznawcze
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2007
|
nr 2
15

Schematy blokowe do projektowania warunków stabilności biologicznej w przepławkach

51%
Struzynski A., Ksiazek L., Florek J.
Acta Scientiarum Polonorum. Formatio Circumiectus
|
2012
|
tom 11
|
nr 2
Prace objęte opracowaniem dotyczą trzech typów obiektów: bystrotoku kamiennego o zwiększonej szorstkości, bystrotoku kamiennego kaskadowego oraz bystrotoku kamiennego ze spocznikami. W ramach przedstawionego projektu wykonano pomiary laboratoryjne i modelowanie numeryczne pozwalające wskazać optymalne prędkości w przepławkach. Określono również rozmieszczenie strug wody i miejsca utrudniające migrację ryb oraz stabilność materiału dennego, umieszczonego w przepławkach. Na podstawie analizy wyników uzyskanych dzięki modelowaniu fizycznemu i komputerowemu ustalono punkty, w których należy przeprowadzić analizę parametrów granicznych prędkości. Celem przedstawionego projektu jest aplikacja uzyskanych wyników do algorytmu komputerowego, co ma umożliwić określenie warunków przejścia wybranych gatunków ryb przez przepławkę wraz z wyznaczeniem ewentualnych miejsc niemożliwych do pokonania. Aby ułatwić pracę, program „Przepławka 1” wyposażony został w graficzny interfejs użytkownika wspierający proces wprowadzania i edycji danych oraz prezentacji wyników. Moduł wprowadzania danych analizuje ich poprawność, przez co zmniejszone zostaje ryzyko niespodziewanych awarii oprogramowania i utraty raportu.
16

NMR and computational comparative study of the amylose - Bengal Rose complexing in DMSO solution

51%
Napierala D. M., Popenda M.
Żywność Technologia Jakość. Suplement
|
1996
|
nr 2
28-35
17

Computer modelling of amylose hydration process in the presence of Bengal Rose

51%
Polewski K.
Żywność Technologia Jakość. Suplement
|
1996
|
nr 2
36-40
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