Центральная Научная Библиотека УрО РАН

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   C 45


    Changes in the vibrational characteristics of substituted 1,2,4,5-tetrazines after complexation with 1,2,3-benzotriazole: A theoretical study [Electronic resource] / N. N. Ivshina, E. V. Bartashevich, V. A. Potemkin, M. A. Grishina, R. I. Ishmetova, G. L. Rusinov, N. I. Latosh, P. A. Slepukhin, V. N. Charushin // Journal of Structural Chemistry. - 2009. - Vol. 50, № 6. - P1053-1058

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: The complexation of 3,6-substituted 1,2,4,5-tetrazines with benzotriazole was studied theoretically based on the vibrational spectra. For model complexes, the energy was minimized by the geometrical parameters, and the spectral characteristics were calculated by the PM3 method. The shift of the bond vibration frequencies of the atoms involved in complexation after the formation of different various intermolecular contacts was determined. This made it possible to determine the type of intermolecular interaction and suggest the structures of the complexes

\\\\Expert2\\nbo\\Journal of Structural Chemistry\\2009, V. 50, N 6, p.1053.pdf
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   S 98


    Synthesis of chelating polymer sorbents by using the S-N(H) methodology / A. V. Pestov, P. A. Slepukhin, Yu. G. Yatluk, V. N. Charushin, O. N. Chupakhin // Journal of Applied Polymer Science . - 2012. - Vol.125, №3. - С. 1970-1978

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
FUNCTIONALIZATION OF POLYMERS -- PHENOL -- X-RAY ANALYSIS
Аннотация: The article describes a new synthetic approach to modify the structure of phenol-formaldehyde and resorcinol-formaldehyde resins, which enables one to functionalize a polymer matrix by using the S?NH (nucleophilic aromatic substitution of hydrogen) methodology. Direct heteroarylation of phenol (resorcinol) fragments in polymer chains with 1,2,4-triazine derivatives illustrates a new synthetic method in the polymer chemistry. The feature of this methodology is that it provides an opportunity to accomplish direct one-pot polymer transformations by incorporating of rather complicated chelating groups through the displacement of hydrogen in phenol moieties. It has been shown that in order to obtain chemically modified polymers on the basis of phenol-formaldehyde and resorcinol-formaldehyde resins with a high degree of substitution with chelating units, a polymer matrix has to react with 3-(pyridin-2'-yl)-1,2,4-triazin-5(2H)-one. Also, it has been found that polymer sorbents with a high selectivity can be obtained by using the template method. Targeted synthesis of model compounds, as structural units of the chelating polymers, and elucidation of the structure of their complexes with copper (II) ions have shown that the most plausible type of coordination is formation of the bridge 1 : 1 complexes of the a,a'-bipyridinyl type.

\\\\expert2\\nbo\\Journal of Applied Polymer Science\\2012, vol.125,p.1970.pdf
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   M 45


    Mechanism of nucleophilic substitution of hydrogen in azines IV. Role of one-electron transfer in reactions with arylamines / O. N. Chupakhin, V. N. Charushin, I. M. Sosonkin, E. G. Kovalev, G. L. Kalb, I. Ya. Postovskii // Chemistry of Heterocyclic Compounds. - 1977. - Vol. 13, № 5. - P562-566. - Bibliogr. : p. 566 (28 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
N-METHYLAZINIUM -- BENZOANNELATION EFFECT -- ELECTROPHILIC CATIONS
Аннотация: A satisfactory correlation between the polarographic reduction potentials and the calculated energies of the lower vacant molecular orbitals was found for a number of N-methylazinium cations. The result of the aza effect and the benzoannelation effect is a shift of the reduction potentials to the positive region by 0.2-0.5 and 0.2-0.7 V, respectively. Electron transfer from N,N,N′,N′-tetramethyl-p-phenylenediamine to the most electrophilic cations was recorded. The possibility of the occurrence of reactions involving aminoarylation of the acridinium cation via a one-electron mechanism was demonstrated electrochemically and by model reactions

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   E 97


    Extended cavity pyrene-based iptycenes for the turn-off fluorescence detection of RDX and common nitroaromatic explosives / A. F. Khasanov [et al.] // New Journal of Chemistry. - 2017. - Vol. 41, № 6. - P2309-2320

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
PYRENE (CHEMICAL) -- FLUORESCENCE -- RDX (CYCLONITE)
Аннотация: Extended cavity pyrene-based iptycenes have been synthesized by using the Diels–Alder reaction between in situ generated dehydropyrenes and anthracene. The photophysical properties and the interaction of these iptycenes with nitro-explosive components were studied both in solution and in the solid state by using fluorescence spectroscopy and X-ray crystallography, respectively. Due to the presence of both the large iptycene cavity and the central pyrene core, an unprecedently high fluorescence-quenching response towards non-aromatic and non-planar 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) has been observed both in solution (with an apparent Stern–Volmer constant value aKSV up to 1.53 × 103 M−1) and in the vapor phase (50–75% fluorescence quenching of the PU films doped with chemosensors). In the case of nitroaromatic explosives, nitrobenzene (NB), 2,4-DNT, TNT, and 2,4,6-trinitrophenol (TNP or picric acid, PA), pyrene-based iptycenes also demonstrate a good fluorescence-quenching response both in solutions (with apparent Stern–Volmer constant values aKSV = 0.4–8.0 × 103 M−1) and in the vapor phase (up to 90% fluorescence quenching of the PU films doped with chemosensors). The “sphere of action” fluorescence quenching model was suggested.

\\\\Expert2\\NBO\\New Journal of Chemistry\\2017 v.41 p.2309-2320.pdf
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    Pyrrolylquinoxaline-2-one derivative as a potent therapeutic factor for brain trauma rehabilitation / E. A. Dutysheva, M. A. Mikeladze, N. D. Aksenov [и др.] // Pharmaceutics. - 2020. - Vol. 12, № 5. - С. 414
Кл.слова (ненормированные):
APOPTOSIS -- CEREBROSPINAL FLUID -- HSP70 -- SMALL MOLECULE -- TRAUMATIC BRAIN INJURY
Аннотация: Traumatic brain injury (TBI) often causes massive brain cell death accompanied by the accumulation of toxic factors in interstitial and cerebrospinal fluids. The persistence of the damaged brain area is not transient and may occur within days and weeks. Chaperone Hsp70 is known for its cytoprotective and antiapoptotic activity, and thus, a therapeutic approach based on chemically induced Hsp70 expression may become a promising approach to lower post-traumatic complications. To simulate the processes of secondary damage, we used an animal model of TBI and a cell model based on the cultivation of target cells in the presence of cerebrospinal fluid (CSF) from injured rats. Here we present a novel low molecular weight substance, PQ-29, which induces the synthesis of Hsp70 and empowers the resistance of rat C6 glioma cells to the cytotoxic effect of rat cerebrospinal fluid taken from rats subjected to TBI. In an animal model of TBI, PQ-29 elevated the Hsp70 level in brain cells and significantly slowed the process of the apoptosis in acceptor cells in response to cerebrospinal fluid action. The compound was also shown to rescue the motor function of traumatized rats, thus proving its potential application in rehabilitation therapy after TBI.

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   B 68


    Blue-light-promoted radical c-h azolation of cyclic nitrones enabled by selectfluor® / A. A. Akulov, M. V. Varaksin, A. N. Tsmokalyuk [et al.] // Green Chemistry. - 2021. - Vol. 23, № 5. - P2049-2057

ББК Г
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: An original approach to achieve the C(sp2)–H azolation of cyclic aldonitrones mediated by Selectfluor® has first been employed. By exploiting a metal-free, visible-light-promoted cross-dehydrogenative C–N coupling reaction between model aldonitrones, 2H-imidazole 1-oxides, and NH-containing azoles, a series of novel azaheterocyclic derivatives have been obtained in yields up to 94%. The elaborated protocol has proved to be appropriate for gram-scale processes and displayed potential for utilization in the synthesis of novel structural analogues of lanabecestat. Besides, mechanistic studies have revealed that this coupling reaction is likely to proceed via a nitroxide-involving radical pathway, encompassing a chain of electron transfer events, such as hydrogen atom transfer (HAT) and single electron transfer (SET).

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    Dataset of NMR-spectra pyrrolyl- and indolylazines and evidence of their ability to induce heat shock genes expression in human neurons / E. A. Dutysheva, I. A. Utepova, M. A. Trestsova [et al.] // Data in Brief. - 2021. - № 39. - P107562
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
PYRROLYLAZINES -- INDOLYLAZINES -- PHOTOCATALYSIS -- NUCLEAR MAGNETIC RESONANCE -- GREEN CHEMISTRY
Аннотация: These data are related to our previous paper “Synthesis and approbation of new neuroprotective chemicals of pyrrolyl-and indolylazine classes in a cell model of Alzheimer’s disease” (Dutysheva et al., 2021), in which we demonstrate neu-roprotective abilities of pyrrolyl- and indolylazines in a cell model of Alzheimer’s disease. Using a novel procedure of photocatalysis we have synthesized a group of new compounds. The current article presents nuclear magnetic resonance spectra including heteronuclear single quantum coherence spectra of chemicals synthesized by us. The effect of new compounds have on heat shock proteins genes expression in reprogrammed human neurons are presented. We also presented data that verify neuronal phenotype of reprogrammed cells.

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    Synthesis and approbation of new neuroprotective chemicals of pyrrolyl- and indolylazine classes in a cell model of Alzheimer's disease / E. A. Dutysheva, I. A. Utepova, M. A. Trestsova [et al.] // European journal of medicinal chemistry. - 2021. - Vol. 222. - P113577
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
PYRROLYLAZINES -- NEUROPROTECTORS -- CHAPERONES -- AMYLOID-BETA -- ALZHEIMER'S DISEASE
Аннотация: One of the major causes of neurodegeneration in the pathogenesis of Alzheimer's disease is the accumulation of cytotoxic amyloid species within the intercellular compartments of the brain. The efficacy of the anti-proteotoxic mechanism based on the molecular chaperones Hsp70 and Hsp90 in numerous types of neurons is often low, while its pharmacological enhancement has been shown to ameliorate the physiological and cognitive functions of the brain. Suggesting that the chemicals able to induce heat shock protein synthesis and therefore rescue neural cells from cytotoxicity associated with amyloid, we have synthesized a group of pyrrolyl- and indolylazines that cause the accumulation of heat shock proteins, using a novel method of photocatalysis that is employed in green chemistry. The selected compounds were tested in a cell model of Alzheimer's disease and demonstrated a pronounced neuroprotective effect. These substances increased the survival of neurons, blocked the activation of β-galactosidase, and prevented apoptosis in neurons cultured in the presence of β-amyloid.

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    A BF3-mediated C–H/C–Li coupling of 1,3,7-triazapyrene with 2-thienyllithium in the design of push–pull fluorophores and chemosensors for nitroaromatics / I. A. Lavrinchenko, T. D. Moseev, M. V. Varaksin [et al.] // New Journal of Chemistry. - 2022. - Vol. 46, № 11. - P5121-5128
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Mono- and bis-2-thienyl-substituted 1,3,7-triazapyrenes have been synthesized for the first time via BF3-mediated C–H/C–Li coupling of 1,3,7-triazapyrene with 2-thienyllithium in 33 and 51% yields, respectively. The photophysical properties of these polycyclic azaaromatics have been studied, with emission in the range of 450–500 nm and fluorescence quantum yields of up to 99% in methanol solutions being revealed. The turn-off chemosensing properties of 2-thienyl-substituted 1,3,7-triazapyrenes for the selective detection of nitroaromatics have also been assessed; in particular, the quenching constants according to the Stern–Volmer model, the quenching sphere radius according to the Perrin model, the detection limit and the quenching efficiency have been determined. In particular, 6,8-bis-(thiopen-2-yl)-1,3,7-triazapyrene, characterized by 10 times the quenching constant and limit of detection (LOD) compared to the mono-substituted analog, can be considered as the most promising chemosensor for determining nitroaromatic compounds. DFT calculations confirm the presence of intramolecular charge transfer (ICT) effects in the case of the obtained fluorophores and clarify the quenching mechanism for nitroaromatics.

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