Wyniki wyszukiwania - Biblioteka Nauki

1

Drought responsive changes in barley leaf proteome

100%

Rodziewicz P. , Stobiecki M.

BioTechnologia. Journal of Biotechnology Computational Biology and Bionanotechnology

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2013

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tom 94

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nr 3

2

The Cooperativity of C–H···F Blue-Shifting Hydrogen Bonds. Static and Dynamic Calculations on CF3H Dimer, Trimer and Tetramer

80%

Rodziewicz P. , Rutkowski K. S. , Melikova S. M.

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2009

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tom Vol. 83, nr 5

1075-1084

EN

Static and dynamic density functional theory calculations on CF3H dimer, trimer and tetramer are presented. All the structures analyzed present the cyclic C–H···F pattern. The energetic, geometrical and vibrational contributions resulting from cooperative effects have been analyzed. The Car-Parrinello molecular dynamics technique has been used to estimate the cooperative effects temperature dependence. The results of simulations might support future molecular beam or supersonic jet experimental studies.

3

Blue and Red Frequency Shift Effects Related with XA–H...B-Y Complex Formation

80%

Rutkowski K. S. , Karpfen A. , Melikova S. M. , Rodziewicz P.

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2009

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tom Vol. 83, nr 5

965-980

EN

Results of FTIR spectroscopic measurements in cryosolutions and ab initio calculations performed for a set of complexes stabilized by conventional and “im proper” H-bonds have been presented and analyzed. The main attention is paid to the blue and red frequency shift effects on the stretching vibrations which were ob served/or predicted for complexes of a weak to medium strength, formed between so called CH acids and various electron donor counter parts. It has been shown that the features of the dipole moment function and the type of intramolecular coupling between the vicinal bonds of the inter acting counter parts predefine in the most extent the sign of the frequency shift of respective stretching vibrations.

4

Mass spectrometry approaches in proteomic and metabolomic studies

80%

Rodziewicz P. , Swarcewicz B. , Chmielewska K.

BioTechnologia. Journal of Biotechnology Computational Biology and Bionanotechnology

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2014

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tom 95

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nr 3

5

FT-IR Studies of CH...B Interactions in Fluoroform Containing Cryosolutions

80%

Melikova S. , Rutkowski K. S. , Rodziewicz P. , Koll A.

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2002

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tom Vol. 76 / nr 9

1271-1285

EN

A transition from a blue shifted frequency of the _(CH) vibrations of CF3H to a conventional red frequency shift, accompanied by unusually varying integrated intensity of the corresponding _1 band, have been studied in CF3H/B systems, where B = Ar, N2, CO, CO2, O(CD3)2, NH3, and N(CD3)3. DFT/B3LYP and ab initio MP2 calculations, utilizing the 6-311++G(3df,3pd) basis set, predict a weakly H-bond-like linear F3CH…B complex formation in the series studied and reproduce experimentally observed variations of spectroscopic parameters. The results obtained are treated in the framework of induced dipole moment, taking into account opposite directions of the CH bond dipole moment and the dipole moment of the whole molecule. In the range of overtone and combination bands of fluoroform, new weak bands have been detected. They were attributed to simultaneous excitations of vibrations of interacting CF3HandB(=CO,CO2) molecular pairs.

6

Flawonoidy - budowa, wlasciwosci i funkcja ze szczegolnym uwzglednieniem roslin motylkowatych

80%

Jasinski M. , Mazurkiewicz E. , Rodziewicz P. , Figlerowicz M.

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2009

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nr 2

81-94

7

Identification of serum proteome components associated with progression of non - small cell lung cancer

41%

Pietrowska M. , Jelonek K. , Michalak M. , Ros M. , Rodziewicz P. , Chmielewska K. , Polanski K. , Polanska J. , Godowicz-Klosok A. , Giglok M. , Suwinski R. , Tarnowski R. , Dziadziuszko R. , Rzyman W. , Widlak P.

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2014

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tom 61

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nr 2

EN

The aim of the present study was to perform comparative analysis of serum from patients with different stages of non-small cell lung cancer (NSCLC) using the three complementary proteomic approaches to identify proteome components associated with the progression of cancer. Serum samples were collected before any treatment from 200 patients with NSCLC, including 103 early stage, 64 locally advanced and 33 metastatic cancer samples, and from 200 donors without malignancy. The low-molecular-weight fraction of serum proteome was MALDI-profiled in all samples. Serum proteins were characterized using 2D-PAGE and LC-MS/MS approaches in a representative group of 30 donors. Several significant differences were detected between serum samples collected from patients with early stage cancer and patients with locally advanced cancer, as well as between patients with metastatic cancer and patients with local disease. Of note, serum components discriminating samples from early stage cancer and healthy persons were also detected. In general, about 70 differentiating serum proteins were identified, including inflammatory and acute phase proteins already reported to be associated with the progression of lung cancer (serum amyloid A or haptoglobin). Several differentiating proteins, including apolipoprotein H or apolipoprotein A1, were not previously associated with NSCLC. No significant differences in patterns of serum proteome components were detected between patients with adenocarcinoma and squamous cell carcinoma. In conclusion, we identified the biomarker candidates with potential importance for molecular proteomic staging of NSCLC. Additionally, several serum proteome components revealed their potential applicability in early detection of the lung cancer.