15 research outputs found
Quantum-chemical study of the effects of noncovalent interactions on the nuclear magnetic screening constants of pyrimidine base associates
The effects of weak noncovalent interactions on the nuclear magnetic screening (NMS) constants (Ο 1H), (Ο 13C) and charge distribution (q t ) on atoms in van der Waals model associates of unsubstituted and substituted pyrimidines and substituted uracil are considered. The NMS constants were calculated by the UB3LYP/6-31G(d,p) with GIAO functions. The correlation dependences of the 1H and 13C Ο constants on the charge q on atoms whre constructed. It were shown that they can be represented as polynomials that include the terms that are linear and quadratic relative to the charge. The relations obtained in this way are similar in form and close in magnitude to the coefficients of the known Buckingham and Augspurger functions that describe the electric field effects on the nuclear magnetic screening constants. It was found that the coefficients in these polynomials have a definite physical sense in that they characterize nuclear magnetic screening and the "screening polarizability" tensor in the unperturbed molecule and associate, respectively. The NMS constants and charge distribution in pyrimidine base associates and accordingly the coefficients that reflect their values in polynomials depend on the form, size, and composition of the associate and can vary significantly depending on the position of the pyrimidine base in the associate. Β© 2007 Springer Science+Business Media, Inc
The role of cytokines in the mechanism of development of chronic generalized periodontitis
The article presents information on the role of cytokines in the pathogenetic mechanisms of development of chronic inflammation in periodontal tissues. The aim of the study was the investigation of the mechanisms of cytokine regulation in chronic inflammatory process in periodontal tissues in patients with chronic generalized periodontitis and brakesman. Methodology. The object of study steel 317 patients with periodontal disease easy and moderate severity. Investigated in oral fluid range of cytokines to determine their role in the pathogenetic mechanisms of development of chronic inflammation in periodontal tissues. The control group consisted of 112 people. Both groups were matched for age and sex. Results. Among patients with chronic generalized periodontitis were identified statisticheski significant imbalance of Pro - and anti-inflammatory cytokines. State changes in the status of cytokines has allowed to determine the informative criteria with prognathic value in the oral fluid, contributing to reduction in inflammation. Conclusions. The revealed changes testify to the breakdown of adaptive processes and the development of clinical symptoms of periodontal disease.Π ΡΡΠ°ΡΡΠ΅ ΠΏΡΠ΅Π΄ΡΡΠ°Π²Π»Π΅Π½Ρ ΡΠ²Π΅Π΄Π΅Π½ΠΈΡ ΠΎ ΡΠΎΠ»ΠΈ ΡΠΈΡΠΎΠΊΠΈΠ½ΠΎΠ² Π² ΠΏΠ°ΡΠΎΠ³Π΅Π½Π΅ΡΠΈΡΠ΅ΡΠΊΠΈΡ
ΠΌΠ΅Ρ
Π°Π½ΠΈΠ·ΠΌΠ°Ρ
ΡΠ°Π·Π²ΠΈΡΠΈΡ Ρ
ΡΠΎΠ½ΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ Π²ΠΎΡΠΏΠ°Π»Π΅Π½ΠΈΡ Π² ΡΠΊΠ°Π½ΡΡ
ΠΏΠ°ΡΠΎΠ΄ΠΎΠ½ΡΠ°. Π¦Π΅Π»ΡΡ ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΡ ΠΏΠΎΡΠ»ΡΠΆΠΈΠ»ΠΎ ΠΈΠ·ΡΡΠ΅Π½ΠΈΠ΅ ΠΌΠ΅Ρ
Π°Π½ΠΈΠ·ΠΌΠΎΠ² ΡΠΈΡΠΎΠΊΠΈΠ½ΠΎΠ²ΠΎΠΉ ΡΠ΅Π³ΡΠ»ΡΡΠΈΠΈ ΠΏΡΠΈ Ρ
ΡΠΎΠ½ΠΈΡΠ΅ΡΠΊΠΎΠΌ Π²ΠΎΡΠΏΠ°Π»ΠΈΡΠ΅Π»ΡΠ½ΠΎΠΌ ΠΏΡΠΎΡΠ΅ΡΡΠ΅ Π² ΡΠΊΠ°Π½ΡΡ
ΠΏΠ°ΡΠΎΠ΄ΠΎΠ½ΡΠ° Ρ ΠΏΠ°ΡΠΈΠ΅Π½ΡΠΎΠ² Ρ Ρ
ΡΠΎΠ½ΠΈΡΠ΅ΡΠΊΠΈΠΌ Π³Π΅Π½Π΅ΡΠ°Π»ΠΈΠ·ΠΎΠ²Π°Π½Π½ΡΠΌ ΠΏΠ°ΡΠΎΠ΄ΠΎΠ½ΡΠΈΡΠΎΠΌ ΠΈ Π±ΡΡΠΊΠΈΠ·ΠΌΠΎΠΌ. ΠΠ΅ΡΠΎΠ΄ΠΎΠ»ΠΎΠ³ΠΈΡ. ΠΠ±ΡΠ΅ΠΊΡΠΎΠΌ ΠΈΠ·ΡΡΠ΅Π½ΠΈΡ ΡΡΠ°Π»ΠΈ 317 ΠΏΠ°ΡΠΈΠ΅Π½ΡΠΎΠ², ΠΈΠΌΠ΅ΡΡΠΈΡ
Π·Π°Π±ΠΎΠ»Π΅Π²Π°Π½ΠΈΠ΅ ΠΏΠ°ΡΠΎΠ΄ΠΎΠ½ΡΠ° Π»Π΅Π³ΠΊΠΎΠΉ ΠΈ ΡΡΠ΅Π΄Π½Π΅ΠΉ ΡΡΠ΅ΠΏΠ΅Π½ΠΈ ΡΡΠΆΠ΅ΡΡΠΈ. ΠΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π»ΠΈ Π² ΡΠΎΡΠΎΠ²ΠΎΠΉ ΠΆΠΈΠ΄ΠΊΠΎΡΡΠΈ ΡΠΏΠ΅ΠΊΡΡ ΡΠΈΡΠΎΠΊΠΈΠ½ΠΎΠ² Π΄Π»Ρ Π²ΡΡΠ²Π»Π΅Π½ΠΈΡ ΠΈΡ
ΡΠΎΠ»ΠΈ Π² ΠΏΠ°ΡΠΎΠ³Π΅Π½Π΅ΡΠΈΡΠ΅ΡΠΊΠΈΡ
ΠΌΠ΅Ρ
Π°Π½ΠΈΠ·ΠΌΠ°Ρ
ΡΠ°Π·Π²ΠΈΡΠΈΡ Ρ
ΡΠΎΠ½ΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ Π²ΠΎΡΠΏΠ°Π»Π΅Π½ΠΈΡ Π² ΡΠΊΠ°Π½ΡΡ
ΠΏΠ°ΡΠΎΠ΄ΠΎΠ½ΡΠ°. ΠΡΡΠΏΠΏΡ ΠΊΠΎΠ½ΡΡΠΎΠ»Ρ ΡΠΎΡΡΠ°Π²ΠΈΠ»ΠΈ 112 ΡΠ΅Π»ΠΎΠ²Π΅ΠΊ. ΠΠ±Π΅ Π³ΡΡΠΏΠΏΡ Π±ΡΠ»ΠΈ ΡΠΎΠΏΠΎΡΡΠ°Π²ΠΈΠΌΡ ΠΏΠΎ Π²ΠΎΠ·ΡΠ°ΡΡΡ ΠΈ ΠΏΠΎΠ»Ρ. Π Π΅Π·ΡΠ»ΡΡΠ°ΡΡ. Π‘ΡΠ΅Π΄ΠΈ ΠΏΠ°ΡΠΈΠ΅Π½ΡΠΎΠ² Ρ Ρ
ΡΠΎΠ½ΠΈΡΠ΅ΡΠΊΠΈΠΌ Π³Π΅Π½Π΅ΡΠ°Π»ΠΈΠ·ΠΎΠ²Π°Π½Π½ΡΠΌ ΠΏΠ°ΡΠΎΠ΄ΠΎΠ½ΡΠΈΡΠΎΠΌ Π±ΡΠ» Π²ΡΡΠ²Π»Π΅Π½ ΡΡΠ°ΡΠΈΡΠΈΡΠ΅ΡΠΊΠΈ Π·Π½Π°ΡΠΈΠΌΡΠΉ Π΄ΠΈΡΠ±Π°Π»Π°Π½Ρ ΠΏΡΠΎ- ΠΈ ΠΏΡΠΎΡΠΈΠ²ΠΎΠ²ΠΎΡΠΏΠ°Π»ΠΈΡΠ΅Π»ΡΠ½ΡΡ
ΡΠΈΡΠΎΠΊΠΈΠ½ΠΎΠ². ΠΠ·ΠΌΠ΅Π½Π΅Π½ΠΈΡ ΡΠΎΡΡΠΎΡΠ½ΠΈΡ Π² ΠΈΡ
ΡΡΠ°ΡΡΡΠ΅ ΡΠΈΡΠΎΠΊΠΈΠ½ΠΎΠ² ΠΏΠΎΠ·Π²ΠΎΠ»ΠΈΠ»ΠΈ ΠΎΠΏΡΠ΅Π΄Π΅Π»ΠΈΡΡ ΠΈΠ½ΡΠΎΡΠΌΠ°ΡΠΈΠ²Π½ΡΠ΅ ΠΊΡΠΈΡΠ΅ΡΠΈΠΈ ΠΎΠ±Π»Π°Π΄Π°ΡΡΠΈΠ΅ ΠΏΡΠΎΠ³Π½Π°ΡΠΈΡΠ΅ΡΠΊΠΎΠΉ ΡΠ΅Π½Π½ΠΎΡΡΡΡ Π² ΡΠΎΡΠΎΠ²ΠΎΠΉ ΠΆΠΈΠ΄ΠΊΠΎΡΡΠΈ, ΡΠΏΠΎΡΠΎΠ±ΡΡΠ²ΡΡΡΠΈΠ΅ ΠΊΡΠΏΠΈΡΠΎΠ²Π°Π½ΠΈΡ Π²ΠΎΡΠΏΠ°Π»ΠΈΡΠ΅Π»ΡΠ½ΡΡ
ΠΏΡΠΎΡΠ΅ΡΡΠΎΠ². ΠΡΠ²ΠΎΠ΄Ρ. ΠΡΡΠ²Π»Π΅Π½Π½ΡΠ΅ ΠΈΠ·ΠΌΠ΅Π½Π΅Π½ΠΈΡ ΡΠ²ΠΈΠ΄Π΅ΡΠ΅Π»ΡΡΡΠ²ΡΡΡ ΠΎ ΡΡΡΠ²Π΅ Π°Π΄Π°ΠΏΡΠ°ΡΠΈΠΎΠ½Π½ΡΡ
ΠΏΡΠΎΡΠ΅ΡΡΠΎΠ² ΠΈ ΡΠ°Π·Π²ΠΈΡΠΈΠΈ ΠΊΠ»ΠΈΠ½ΠΈΡΠ΅ΡΠΊΠΈΡ
ΡΠΈΠΌΠΏΡΠΎΠΌΠΎΠ² Π·Π°Π±ΠΎΠ»Π΅Π²Π°Π½ΠΈΡ ΠΏΠ°ΡΠΎΠ΄ΠΎΠ½ΡΠ°
Quantum-chemical study of the effects of noncovalent interactions on the nuclear magnetic screening constants of pyrimidine base associates
The effects of weak noncovalent interactions on the nuclear magnetic screening (NMS) constants (Ο 1H), (Ο 13C) and charge distribution (q t ) on atoms in van der Waals model associates of unsubstituted and substituted pyrimidines and substituted uracil are considered. The NMS constants were calculated by the UB3LYP/6-31G(d,p) with GIAO functions. The correlation dependences of the 1H and 13C Ο constants on the charge q on atoms whre constructed. It were shown that they can be represented as polynomials that include the terms that are linear and quadratic relative to the charge. The relations obtained in this way are similar in form and close in magnitude to the coefficients of the known Buckingham and Augspurger functions that describe the electric field effects on the nuclear magnetic screening constants. It was found that the coefficients in these polynomials have a definite physical sense in that they characterize nuclear magnetic screening and the "screening polarizability" tensor in the unperturbed molecule and associate, respectively. The NMS constants and charge distribution in pyrimidine base associates and accordingly the coefficients that reflect their values in polynomials depend on the form, size, and composition of the associate and can vary significantly depending on the position of the pyrimidine base in the associate. Β© 2007 Springer Science+Business Media, Inc
Quantum-chemical study of the effects of noncovalent interactions on the nuclear magnetic screening constants of pyrimidine base associates
The effects of weak noncovalent interactions on the nuclear magnetic screening (NMS) constants (Ο 1H), (Ο 13C) and charge distribution (q t ) on atoms in van der Waals model associates of unsubstituted and substituted pyrimidines and substituted uracil are considered. The NMS constants were calculated by the UB3LYP/6-31G(d,p) with GIAO functions. The correlation dependences of the 1H and 13C Ο constants on the charge q on atoms whre constructed. It were shown that they can be represented as polynomials that include the terms that are linear and quadratic relative to the charge. The relations obtained in this way are similar in form and close in magnitude to the coefficients of the known Buckingham and Augspurger functions that describe the electric field effects on the nuclear magnetic screening constants. It was found that the coefficients in these polynomials have a definite physical sense in that they characterize nuclear magnetic screening and the "screening polarizability" tensor in the unperturbed molecule and associate, respectively. The NMS constants and charge distribution in pyrimidine base associates and accordingly the coefficients that reflect their values in polynomials depend on the form, size, and composition of the associate and can vary significantly depending on the position of the pyrimidine base in the associate. Β© 2007 Springer Science+Business Media, Inc
On likely linkage between dissociative electron attachment and biological effects produced by xenobiotics
A possible correlation between electron acceptor properties, in particular, dissociative electron
attachment (DEA) and biological activity for a series of xenobiotic species (organic pollutants,
polyphenolic antioxidants, and ascorbic acid) is reported. Formation and decay of temporary negative
ions (TNIs) are studied using electron transmission and DEA spectroscopies. Experimental findings
are assigned with the support of density functional theory calculations and are discussed in connection
with the effects produced by these compounds in living cells. The basic ideas of the present study are
derived from the work published in the earlier 60th of the XX century by A. Szent-GyΓΆrgyi [1,2] and
J. Lovelock [3]. Likely sources of electrons able to interact with xenobiotic molecules to form TNIs
under cellular conditions are tentatively associated with mitochondria and cytochrome P450 enzymes.
The formed TNIs are supposed to decay via the DEA mechanism producing negatively charged and
neutral fragments, in analogy with those observed by DEA spectroscopy under gas-phase conditions.
Electrochemical studies of reductive dehalogenation [4] and dehydrogenation [5] in solution
demonstrate that TNIs can dissociate in condensed environment instead of dissipating their excess
energy. Preliminary conclusions about a correlation between DEA and biochemical processes are
summarized
COOPERATIVE APPLICATION OF ENDOPHYTIC STRAINS OF BEAUVERIA BASSIANA UFA-2 AND BACILLUS SUBTILIS 26Π FOR COMPREHENSIVE DEFENSE OF POTATO
Endophytic habitation of Beauveria bassiana Ufa-2 and Bacillus subtilis 24D was demonstrated. Presence of these strains decreased the level of late blight symptoms and Colorado potato beetle eating of plants.Π Π°Π±ΠΎΡΠ° Π²ΡΠΏΠΎΠ»Π½Π΅Π½Π° ΠΏΡΠΈ ΠΏΠΎΠ΄Π΄Π΅ΡΠΆΠΊΠ΅ Π³ΡΠ°Π½ΡΠ° Π΄Π²ΡΡ
Π»Π΅ΡΠ½ΠΈΡ
ΠΏΡΠΈΠΊΠ»Π°Π΄Π½ΡΡ
Π½Π°ΡΡΠ½ΡΡ
ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΠΉ, Π½Π°ΠΏΡΠ°Π²Π»Π΅Π½Π½ΡΡ
Π½Π° ΡΠΎΠ·Π΄Π°Π½ΠΈΠ΅ ΠΏΡΠΎΠ΄ΡΠΊΡΠΈΠΈ ΠΈ ΡΠ΅Ρ
Π½ΠΎΠ»ΠΎΠ³ΠΈΠΉ, ΠΏΠΎ ΠΏΡΠΈΠΎΡΠΈΡΠ΅ΡΠ½ΠΎΠΌΡ Π½Π°ΠΏΡΠ°Π²Π»Π΅Π½ΠΈΡ Β«ΠΠ°ΡΠΊΠΈ ΠΎ ΠΆΠΈΠ·Π½ΠΈΒ» Π² ΡΠ°ΠΌΠΊΠ°Ρ
ΠΌΠ΅ΡΠΎΠΏΡΠΈΡΡΠΈΡ 1.2 ΠΡΠΎΠ³ΡΠ°ΠΌΠΌΡ ΠΠΈΠ½ΠΈΡΡΠ΅ΡΡΡΠ²Π° ΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΡ ΠΈ Π½Π°ΡΠΊΠΈ Π Π€ β 14.604.21.0016