Pub Date : 2024-05-21DOI: 10.29039/rusjbpc.2023.0603
S. Demukhamedova, G. Akverdieva
. In the present work, the spatial and electronic structures of the lowest energy conformation of the carnosine N1H tautomer in the zwitterionic form, which has a wide range of applications, have been studied. The calculations were performed by the DFT quantum-chemical method based on the B3LYP hybrid functional and the 6-31+G(d,p) basis set in gas, water, and DMSO using the Gaussian 09 and GaussView 6.0.16 programs. The geometry parameters, values of electronic energy, dipole moments, values of partial charges on atoms, HOMO and LUMO energies, descriptors of reactivity of a molecule were calculated and NBO analysis is carried out. The molecular electrostatic potential (MEP) maps and frontier orbitals were visualized. The structural and electronic rearrangements in the molecule and changes in various parameters depending on the dielectric constant of the medium were analyzed. It was found that the influence of the solvent does not play a significant role for this structure, very similar results were obtained for the aqueous medium and DMSO. However, the optimization of the geometry of this carnosine zwitterion tautomer in the gas phase, led to the elimination of the hydrogen atom from the terminal NH3+ group and its addition to the COO- group, actually converting the zwitterionic form into a neutral one.
{"title":"THEORETICAL STUDY OF THE CARNOSINE N1H TAUTOMER IN THE ZWITTERIONIC FORM","authors":"S. Demukhamedova, G. Akverdieva","doi":"10.29039/rusjbpc.2023.0603","DOIUrl":"https://doi.org/10.29039/rusjbpc.2023.0603","url":null,"abstract":". In the present work, the spatial and electronic structures of the lowest energy conformation of the carnosine N1H tautomer in the zwitterionic form, which has a wide range of applications, have been studied. The calculations were performed by the DFT quantum-chemical method based on the B3LYP hybrid functional and the 6-31+G(d,p) basis set in gas, water, and DMSO using the Gaussian 09 and GaussView 6.0.16 programs. The geometry parameters, values of electronic energy, dipole moments, values of partial charges on atoms, HOMO and LUMO energies, descriptors of reactivity of a molecule were calculated and NBO analysis is carried out. The molecular electrostatic potential (MEP) maps and frontier orbitals were visualized. The structural and electronic rearrangements in the molecule and changes in various parameters depending on the dielectric constant of the medium were analyzed. It was found that the influence of the solvent does not play a significant role for this structure, very similar results were obtained for the aqueous medium and DMSO. However, the optimization of the geometry of this carnosine zwitterion tautomer in the gas phase, led to the elimination of the hydrogen atom from the terminal NH3+ group and its addition to the COO- group, actually converting the zwitterionic form into a neutral one.","PeriodicalId":169374,"journal":{"name":"Russian Journal of Biological Physics and Chemisrty","volume":"89 26","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141116108","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-21DOI: 10.29039/rusjbpc.2023.0610
I. Klimenko, E. Kitushina, A. Lobanov
This work presents a method for producing new hybrid supramolecular organic-inorganic systems based on tetrapyrrole compounds (natural and artificially synthesized porphyrins) and hexamolibdenonicelate anion to create highly ordered supramolecular complexes based on porphyrins with the possibility of using them in medicine. In particular, the reaction of natural porphyrin (hemin) and the ZnII-complex of tetra(4-pyridyl)porphyrin with the heteropoly compound sodium hexamolibdenonicelate crystalline hydrate Na4[Ni(OH)6Mo6O18]·8H2O in an aqueous medium is considered. This heteropoly compound due to its physicochemical and biological properties can be considered as a part of photochromic materials and pharmacological agent. The optical absorption spectra of the obtained hybrid supramolecular organic-inorganic systems were investigated with the help of electronic absorption spectroscopy. Both the transformation of the bands which are the characteristics of porphyrins and the appearance of new bands indicating the formation of hybrid supramolecular organic-inorganic complexes are observed in the electron absorption spectra. The work traces the role of structural features of porphyrins in the process of their interaction with the heteropolyanions. Differences in the spectral behavior of the two metalloporphyrins when interacting them with the heteropoly compound have been shown and explained by variability in their structure. The data obtained will be useful when developing new hybrid materials as antibacterial components for medical use.
{"title":"PECULIARITIES OF HEMINE AND ZnII-COMPLEX TETRA(4-PYRIDYL) PORPHYRIN INTERACTION WITH HEXAMOLIBDENICELATE-POLYANION IN AQYEOUS MEDIA","authors":"I. Klimenko, E. Kitushina, A. Lobanov","doi":"10.29039/rusjbpc.2023.0610","DOIUrl":"https://doi.org/10.29039/rusjbpc.2023.0610","url":null,"abstract":"This work presents a method for producing new hybrid supramolecular organic-inorganic systems based on tetrapyrrole compounds (natural and artificially synthesized porphyrins) and hexamolibdenonicelate anion to create highly ordered supramolecular complexes based on porphyrins with the possibility of using them in medicine. In particular, the reaction of natural porphyrin (hemin) and the ZnII-complex of tetra(4-pyridyl)porphyrin with the heteropoly compound sodium hexamolibdenonicelate crystalline hydrate Na4[Ni(OH)6Mo6O18]·8H2O in an aqueous medium is considered. This heteropoly compound due to its physicochemical and biological properties can be considered as a part of photochromic materials and pharmacological agent. The optical absorption spectra of the obtained hybrid supramolecular organic-inorganic systems were investigated with the help of electronic absorption spectroscopy. Both the transformation of the bands which are the characteristics of porphyrins and the appearance of new bands indicating the formation of hybrid supramolecular organic-inorganic complexes are observed in the electron absorption spectra. The work traces the role of structural features of porphyrins in the process of their interaction with the heteropolyanions. Differences in the spectral behavior of the two metalloporphyrins when interacting them with the heteropoly compound have been shown and explained by variability in their structure. The data obtained will be useful when developing new hybrid materials as antibacterial components for medical use.","PeriodicalId":169374,"journal":{"name":"Russian Journal of Biological Physics and Chemisrty","volume":"12 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141114108","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-21DOI: 10.29039/rusjbpc.2023.0606
G. Naberezhnykh, V. Davydova, T. Soloveva
Lipopolysaccharide-binding proteins from two common jellyfish species Aurellia aurita and Ropelema asamushi were isolated and purified, and the interaction of lipopolysaccharides (LPS) of various structural types with LBP was studied. By inhibiting the interaction, it was found that both proteins specifically bind to the lipid and core fragments of the LPS molecule. There are two types of binding sites in LBP with Kd = 3,28 × 10-6 M and Kd = 0,13 × 10-6 M (for the protein from A. aurita) and Kd = 3,66 × 10-6 M and Kd = 0,27 × 10-6 M (for protein from R. asamushi). It has been shown by dynamic light scattering that the binding of LBP to R-LPS leads to the dissociation of LPS micelles. The sizes of LPS aggregates decrease from 200 nm to 25–30 nm in the composition of LPS–LSB complexes. The data of electrokinetic measurements indicate the neutralization of the negative charge of Rd-LPS (-42,2 mV) in the LPS-LSB-R. asamushi complex up to -4,4 mV. S-LPS micelles from E. coli do not disaggregate upon binding to LBP, which is apparently due to the shielding of lipid A by O-specific chains in the S-LPS molecule. The binding of LPS to LBP may affect their endotoxic properties.
{"title":"INTERACTION OF LIPOPOLYSACCHARIDE-BINDING PROTEINS WITH VARIOUS FORMS OF LIPOPOLYSACCHARIDES","authors":"G. Naberezhnykh, V. Davydova, T. Soloveva","doi":"10.29039/rusjbpc.2023.0606","DOIUrl":"https://doi.org/10.29039/rusjbpc.2023.0606","url":null,"abstract":"Lipopolysaccharide-binding proteins from two common jellyfish species Aurellia aurita and Ropelema asamushi were isolated and purified, and the interaction of lipopolysaccharides (LPS) of various structural types with LBP was studied. By inhibiting the interaction, it was found that both proteins specifically bind to the lipid and core fragments of the LPS molecule. There are two types of binding sites in LBP with Kd = 3,28 × 10-6 M and Kd = 0,13 × 10-6 M (for the protein from A. aurita) and \u0000Kd = 3,66 × 10-6 M and Kd = 0,27 × 10-6 M (for protein from R. asamushi). It has been shown by dynamic light scattering that the binding of LBP to R-LPS leads to the dissociation of LPS micelles. The sizes of LPS aggregates decrease from 200 nm to 25–30 nm in the composition of LPS–LSB complexes. The data of electrokinetic measurements indicate the neutralization of the negative charge of Rd-LPS (-42,2 mV) in the LPS-LSB-R. asamushi complex up to -4,4 mV. S-LPS micelles from E. coli do not disaggregate upon binding to LBP, which is apparently due to the shielding of lipid A by O-specific chains in the S-LPS molecule. The binding of LPS to LBP may affect their endotoxic properties.","PeriodicalId":169374,"journal":{"name":"Russian Journal of Biological Physics and Chemisrty","volume":"126 26","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141115447","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-21DOI: 10.29039/rusjbpc.2023.0605
E. Timokhina, N. Yaglova, S. Obernikhin, Valentin V. Yaglov
In recent years, there has been a significant increase in the number of diseases associated with impaired functioning of the immune system in the world. One of the main reasons for this can be considered environmental pollution by endocrine disruptors. The most common disruptor on the planet is DDT. Its ubiquitous content in food, water and soil is noted, which makes the study of the effect of its background doses on the body extremely relevant. Systemic consumption of low doses of the disruptor DDT leads to significant changes in the structural and functional characteristics of the rat thymus, which are manifested by increased death of lymphocytes and reticuloepitheliocytes, in the mechanisms of death of which the p53-dependent pathway of apoptosis is involved, as well as a decrease in the proliferative activity of thymocytes, i.e., it is capable of having an immunotoxic effect on the body. These data show that the maximum permissible levels of DDT in food are not safe for the body's immune system.
{"title":"FUNCTIONAL AND STRUCTURAL CHANGES IN THE RAT THYMUS INDUCED BY DIFFERENT DOSES OF ENDOCRINE DISRUPTOR","authors":"E. Timokhina, N. Yaglova, S. Obernikhin, Valentin V. Yaglov","doi":"10.29039/rusjbpc.2023.0605","DOIUrl":"https://doi.org/10.29039/rusjbpc.2023.0605","url":null,"abstract":"In recent years, there has been a significant increase in the number of diseases associated with impaired functioning of the immune system in the world. One of the main reasons for this can be considered environmental pollution by endocrine disruptors. The most common disruptor on the planet is DDT. Its ubiquitous content in food, water and soil is noted, which makes the study of the effect of its background doses on the body extremely relevant. Systemic consumption of low doses of the disruptor DDT leads to significant changes in the structural and functional characteristics of the rat thymus, which are manifested by increased death of lymphocytes and reticuloepitheliocytes, in the mechanisms of death of which the p53-dependent pathway of apoptosis is involved, as well as a decrease in the proliferative activity of thymocytes, i.e., it is capable of having an immunotoxic effect on the body. These data show that the maximum permissible levels of DDT in food are not safe for the body's immune system.","PeriodicalId":169374,"journal":{"name":"Russian Journal of Biological Physics and Chemisrty","volume":"138 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141114828","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-21DOI: 10.29039/rusjbpc.2023.0611
E. Bezgacheva, E. Bigdaj
The article is focused on the effect of short-term hypoxia on the olfactory sensitivity. The effect of short-term hypoxia on the olfactory sensitivity in human and rats were studied by determination thresholds for n-butanol. We have shown that reduced oxygen partial pressure leads to reduction of olfactory sensitivity. As known, odorant detection thresholds characterize the functional state of receptor cells. It can be assumed that the weakening of their sensitivity may be caused by a lack of energy supply to the olfactory perception process in hypoxia. To test this hypothesis, we stimulated rat olfactory sensory neurons with n-butanol in rotenone model. The reaction of cellular respiration of olfactory sensory neurons was evaluated by changing the intensity of intrinsic fluorescence of reduced pyridine nucleotides (NADH) according to the B. Chance method. Analysis of the results showed that under normoxia, stimulation of olfactory neurons by odorant caused an increase in the intensity of NADH fluorescence, which indicates the accumulation of the reduced form of pyridine nucleotides in mitochondria, and, consequently, the activation of cellular respiration due to exposure to odorant. In hypoxia caused by rotenone, an increase in the induced change of fluorescence of NADH was either not registered or the amplitude of the reaction was halved. This means that the recovery of NADH due to the odorant either did not occur at all, or this reaction to the smell was significantly lower than with normoxia, which indicates a weakening of cellular respiration during hypoxia. This is the reason for the decrease in ATP synthesis, which affects the efficiency of the olfactory transduction process and the sensitivity of olfactory sensory neurons. Therefore, based on our results, it can be concluded that the weakening of olfactory sensitivity in rats and humans with hypoxia may be due to a weakening of cellular respiration in olfactory sensory neurons.
文章的重点是短期缺氧对嗅觉灵敏度的影响。通过测定正丁醇的阈值，研究了短期缺氧对人类和大鼠嗅觉灵敏度的影响。结果表明，氧分压降低会导致嗅觉灵敏度下降。众所周知，气味检测阈值是受体细胞功能状态的表征。可以推测，在缺氧情况下，嗅觉感知过程缺乏能量供应可能会导致其灵敏度降低。为了验证这一假设，我们在鱼藤酮模型中用正丁醇刺激了大鼠的嗅觉神经元。根据 B. Chance 方法，通过改变还原吡啶核苷酸（NADH）的内在荧光强度来评估嗅觉神经元的细胞呼吸反应。结果分析表明，在常氧条件下，嗅觉神经元受到气味刺激后，NADH 荧光强度会增加，这表明线粒体中吡啶核苷酸还原形式的积累，从而表明细胞呼吸因接触气味而被激活。在鱼藤酮引起的缺氧情况下，NADH 的荧光诱导变化要么没有增加，要么反应幅度减半。这说明，气味导致的 NADH 恢复要么根本没有发生，要么对气味的反应明显低于正常缺氧时的反应，这表明缺氧时细胞呼吸减弱。这就是 ATP 合成减少的原因，而 ATP 合成减少会影响嗅觉传导过程的效率和嗅觉感觉神经元的灵敏度。因此，根据我们的研究结果可以得出结论，缺氧导致大鼠和人类嗅觉灵敏度减弱的原因可能是嗅觉神经元的细胞呼吸作用减弱。
{"title":"POSSIBLE MECHANISM OF INFLUENCE OF SHORT-TERM HYPOXIA ON OLFACTORY SENSITIVITY","authors":"E. Bezgacheva, E. Bigdaj","doi":"10.29039/rusjbpc.2023.0611","DOIUrl":"https://doi.org/10.29039/rusjbpc.2023.0611","url":null,"abstract":"The article is focused on the effect of short-term hypoxia on the olfactory sensitivity. The effect of short-term hypoxia on the olfactory sensitivity in human and rats were studied by determination thresholds for n-butanol. We have shown that reduced oxygen partial pressure leads to reduction of olfactory sensitivity. As known, odorant detection thresholds characterize the functional state of receptor cells. It can be assumed that the weakening of their sensitivity may be caused by a lack of energy supply to the olfactory perception process in hypoxia. To test this hypothesis, we stimulated rat olfactory sensory neurons with n-butanol in rotenone model. The reaction of cellular respiration of olfactory sensory neurons was evaluated by changing the intensity of intrinsic fluorescence of reduced pyridine nucleotides (NADH) according to the B. Chance method. Analysis of the results showed that under normoxia, stimulation of olfactory neurons by odorant caused an increase in the intensity of NADH fluorescence, which indicates the accumulation of the reduced form of pyridine nucleotides in mitochondria, and, consequently, the activation of cellular respiration due to exposure to odorant. In hypoxia caused by rotenone, an increase in the induced change of fluorescence of NADH was either not registered or the amplitude of the reaction was halved. This means that the recovery of NADH due to the odorant either did not occur at all, or this reaction to the smell was significantly lower than with normoxia, which indicates a weakening of cellular respiration during hypoxia. This is the reason for the decrease in ATP synthesis, which affects the efficiency of the olfactory transduction process and the sensitivity of olfactory sensory neurons. Therefore, based on our results, it can be concluded that the weakening of olfactory sensitivity in rats and humans with hypoxia may be due to a weakening of cellular respiration in olfactory sensory neurons.","PeriodicalId":169374,"journal":{"name":"Russian Journal of Biological Physics and Chemisrty","volume":"32 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141113597","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-21DOI: 10.29039/rusjbpc.2023.0599
D. Chernyshev, V. Klochkova, A. Lelekov, E. Seryak
We have described the absorption spectra of acetone extract of the microalga Arthrospira (Spirulina) platensis by mathematical models of carotenoids and chlorophylls in the range from 400 to 700 nm. The obtained values of pigment concentrations agree well with standard methods. A model of the absorption spectrum of acetone extract of A. platensis can be used to determine the concentration of chlorophyll a and carotenoids. The absence of chlorophyll b contribution to the total absorption spectrum was shown. The method of mathematical separation of acetone extract absorption spectrum in Microsoft Excel program was implemented. Calculations performing approximations of pigment concentrations by minimizing the sum of squares of deviations between the true absorption spectrum and its mathematical model have been performed using the spreadsheet processor with the help of the solution search tool.
我们通过类胡萝卜素和叶绿素的数学模型描述了微藻类节旋藻（螺旋藻）丙酮提取物在 400 至 700 纳米波长范围内的吸收光谱。所获得的色素浓度值与标准方法十分吻合。利用丙酮提取物的吸收光谱模型可以确定叶绿素 a 和类胡萝卜素的浓度。研究表明，叶绿素 b 在总吸收光谱中不存在。在 Microsoft Excel 程序中实现了丙酮提取物吸收光谱的数学分离方法。在解决方案搜索工具的帮助下，使用电子表格处理器，通过最小化真实吸收光谱与其数学模型之间偏差的平方和，计算出色素浓度的近似值。
{"title":"DECOMPOSITION OF THE ABSORPTION SPECTRUM ACETONE EXTRACT OF MICROALGAE ARTHROSPIRA (SPIRULINA) PLATENSIS NORTH. GEITL.","authors":"D. Chernyshev, V. Klochkova, A. Lelekov, E. Seryak","doi":"10.29039/rusjbpc.2023.0599","DOIUrl":"https://doi.org/10.29039/rusjbpc.2023.0599","url":null,"abstract":"We have described the absorption spectra of acetone extract of the microalga Arthrospira (Spirulina) platensis by mathematical models of carotenoids and chlorophylls in the range from 400 to \u0000700 nm. The obtained values of pigment concentrations agree well with standard methods. A model of the absorption spectrum of acetone extract of A. platensis can be used to determine the concentration of chlorophyll a and carotenoids. The absence of chlorophyll b contribution to the total absorption spectrum was shown. The method of mathematical separation of acetone extract absorption spectrum in Microsoft Excel program was implemented. Calculations performing approximations of pigment concentrations by minimizing the sum of squares of deviations between the true absorption spectrum and its mathematical model have been performed using the spreadsheet processor with the help of the solution search tool.","PeriodicalId":169374,"journal":{"name":"Russian Journal of Biological Physics and Chemisrty","volume":"38 15","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141113462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-21DOI: 10.29039/rusjbpc.2023.0600
V. Roshchina, A. Kunyev, Valentina Fateryga, M. Shovkun
The fluorescence and absorbance spectra of intact plant leaf cells from juniper Juniperus excelsa, Jerusalem-sage Phlomis tuberosa, butterbur Petasites spurius, centaury Centaurea scabiosa and wild chervil Anthriscus sylvestris have been obtained using the microspectrofluorimeter/ microspectrophotometer MSF-15 (LOMO, St. Petersburg). The obtained spectra of autofluorescence and absorbance made it possible to test the composition of compounds outside the cell wall. This tool is able to detect the presence of secretions on the surface of intact cells, including secondary metabolites with the fluorescence maxima in the region of 530-550 nm, characteristic of phenolic compounds. In the absorbance spectra of leaves, maxima were found in the region of 580-620 nm, which is peculiar to blue pigments azulenes. The presence of azulenes on the surface of cells has been confirmed by short-term extraction of these pigments with ethanol or acetone. Similar methodical approach has been recommended for rapid analysis of intact surfaces of plant cells.
{"title":"APPLICATION OF MICROSPECTROFLUORIMETER/MICROSPECTROPHOTOMETER FOR THE STUDY OF THE SURFACE OF PLANT CELLS","authors":"V. Roshchina, A. Kunyev, Valentina Fateryga, M. Shovkun","doi":"10.29039/rusjbpc.2023.0600","DOIUrl":"https://doi.org/10.29039/rusjbpc.2023.0600","url":null,"abstract":"The fluorescence and absorbance spectra of intact plant leaf cells from juniper Juniperus excelsa, Jerusalem-sage Phlomis tuberosa, butterbur Petasites spurius, centaury Centaurea scabiosa and wild chervil Anthriscus sylvestris have been obtained using the microspectrofluorimeter/ microspectrophotometer MSF-15 (LOMO, St. Petersburg). The obtained spectra of autofluorescence and absorbance made it possible to test the composition of compounds outside the cell wall. This tool is able to detect the presence of secretions on the surface of intact cells, including secondary metabolites with the fluorescence maxima in the region of 530-550 nm, characteristic of phenolic compounds. In the absorbance spectra of leaves, maxima were found in the region of 580-620 nm, which is peculiar to blue pigments azulenes. The presence of azulenes on the surface of cells has been confirmed by short-term extraction of these pigments with ethanol or acetone. Similar methodical approach has been recommended for rapid analysis of intact surfaces of plant cells.","PeriodicalId":169374,"journal":{"name":"Russian Journal of Biological Physics and Chemisrty","volume":"113 17","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141115779","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-16DOI: 10.29039/rusjbpc.2023.0582
G. Agaeva, U. Agaeva, N. Godjaev
Molecular modeling methods were used to study the features of the spatial and electronic structure of the antitumor tripeptide YSL (Tyr-Ser-Leu), developed by Chinese scientists. The conformational analysis of the molecule revealed a limited set of its energetically preferable conformational states in a certain range of relative energy. The nature of the forces stabilizing the low-energy conformations of the tripeptide molecule was determined. As a result of the study, the energetically preferable ranges of dihedral angles, the energy contributions of interresidual interactions and hydrogen bonds, as well as the mutual arrangement of residues and their side chains in low-energy conformations of the tripeptide were also determined. Using the methods of molecular mechanics, the energy contributions of intramolecular interactions in low-energy conformational states of the molecule were obtained. Based on quantum-chemical calculations, the distribution of electron density and the values of dipole moments of the most optimal spatial structures of the YSL tripeptide molecule were determined. The reactivity of the tripeptide was also studied by quantum chemical calculations based on the obtained electronic characteristics of each low-energy conformation of the molecule. Using the calculated coordinates of the atoms of the energetically preferable structures of the molecule, their molecular models were built, the comparison of which makes it possible to identify the structural criteria necessary to create a drug suitable for clinical use.
{"title":"CONFORMATIONAL PROPERTIES AND ELECTRONİC STRUCTURE OF ANTİTUMOR AGENT TYR-SER-LEU","authors":"G. Agaeva, U. Agaeva, N. Godjaev","doi":"10.29039/rusjbpc.2023.0582","DOIUrl":"https://doi.org/10.29039/rusjbpc.2023.0582","url":null,"abstract":"Molecular modeling methods were used to study the features of the spatial and electronic structure of the antitumor tripeptide YSL (Tyr-Ser-Leu), developed by Chinese scientists. The conformational analysis of the molecule revealed a limited set of its energetically preferable conformational states in a certain range of relative energy. The nature of the forces stabilizing the low-energy conformations of the tripeptide molecule was determined. As a result of the study, the energetically preferable ranges of dihedral angles, the energy contributions of interresidual interactions and hydrogen bonds, as well as the mutual arrangement of residues and their side chains in low-energy conformations of the tripeptide were also determined. Using the methods of molecular mechanics, the energy contributions of intramolecular interactions in low-energy conformational states of the molecule were obtained. Based on quantum-chemical calculations, the distribution of electron density and the values of dipole moments of the most optimal spatial structures of the YSL tripeptide molecule were determined. The reactivity of the tripeptide was also studied by quantum chemical calculations based on the obtained electronic characteristics of each low-energy conformation of the molecule. Using the calculated coordinates of the atoms of the energetically preferable structures of the molecule, their molecular models were built, the comparison of which makes it possible to identify the structural criteria necessary to create a drug suitable for clinical use.","PeriodicalId":169374,"journal":{"name":"Russian Journal of Biological Physics and Chemisrty","volume":"57 38","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140970076","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-16DOI: 10.29039/rusjbpc.2023.0592
N. Ronzhin, E. Posokhina, Violetta Le, O. Mogilnaya, Yuliya Zakharova, Andrey Sukhikh, V. Bondar
In vivo experiments have shown that the addition of caffeic acid to the luminous mycelia of the higher fungi Neonothopanus nambi and Armillaria borealis stimulates a rapid and significant (by an order of magnitude or more) increase in the intensity of their light emission. It has been suggested that the observed effect of fungal luminescence activation may be mediated by the oxidation of caffeic acid by enzymes of the ligninolytic complex of basidiomycetes (in particular, by peroxidases) with the emission of visible light quanta. Comparative in vivo experiments showed that the addition of hispidin (the precursor of luciferin in the light emission reaction of higher fungi) did not affect the intensity of bioluminescence of the mycelia. At the same time, in vitro studies found that caffeic acid significantly suppressed the NADPH-hispidin-activated emission reaction of luminescent systems isolated from the mycelia of N. nambi and A. borealis. The inhibitory effect of caffeic acid is considered and discussed in the work from the standpoint of the classical biochemistry concept on enzyme inhibition by the reaction product according to the negative feedback principle. In general, the results obtained develop and supplement the understanding of the mechanisms of light emission in higher fungi and testify in favor of the fact that the generation of visible light quanta in basidiomycetes can be carried out by different biochemical pathways involving different enzymes (or enzyme systems). Clarifying the mechanism of stimulation of in vivo bioluminescence of higher fungi by caffeic acid is a priority for further research.
{"title":"CAFFEIC ACID STIMULATES IN VIVO LUMINESCENCE OF THE MYCELIA OF THE HIGHER FUNGI NEONOTHOPANUS NAMBI AND ARMILLARIA BOREALIS","authors":"N. Ronzhin, E. Posokhina, Violetta Le, O. Mogilnaya, Yuliya Zakharova, Andrey Sukhikh, V. Bondar","doi":"10.29039/rusjbpc.2023.0592","DOIUrl":"https://doi.org/10.29039/rusjbpc.2023.0592","url":null,"abstract":"In vivo experiments have shown that the addition of caffeic acid to the luminous mycelia of the higher fungi Neonothopanus nambi and Armillaria borealis stimulates a rapid and significant (by an order of magnitude or more) increase in the intensity of their light emission. It has been suggested that the observed effect of fungal luminescence activation may be mediated by the oxidation of caffeic acid by enzymes of the ligninolytic complex of basidiomycetes (in particular, by peroxidases) with the emission of visible light quanta. Comparative in vivo experiments showed that the addition of hispidin (the precursor of luciferin in the light emission reaction of higher fungi) did not affect the intensity of bioluminescence of the mycelia. At the same time, in vitro studies found that caffeic acid significantly suppressed the NADPH-hispidin-activated emission reaction of luminescent systems isolated from the mycelia of N. nambi and \u0000A. borealis. The inhibitory effect of caffeic acid is considered and discussed in the work from the standpoint of the classical biochemistry concept on enzyme inhibition by the reaction product according to the negative feedback principle. In general, the results obtained develop and supplement the understanding of the mechanisms of light emission in higher fungi and testify in favor of the fact that the generation of visible light quanta in basidiomycetes can be carried out by different biochemical pathways involving different enzymes (or enzyme systems). Clarifying the mechanism of stimulation of in vivo bioluminescence of higher fungi by caffeic acid is a priority for further research.","PeriodicalId":169374,"journal":{"name":"Russian Journal of Biological Physics and Chemisrty","volume":"49 18","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140970398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-16DOI: 10.29039/rusjbpc.2023.0580
N. Timchenko, E. Shupova
We have studied the influence of glycerol upon HbA. The cryoprotector effect on conformation of hemoglobin A was investigated using methods of solvent-perturbation differential spectrophotometry and analysis of the IDAS (first derivatives of absorption spectra). Linear nature of the E/E dependence (the ratio of the difference between absorption of hemoglobin in glycerol and absorption of hemoglobin in saline to absorption of hemoglobin in saline) on glycerol concentration for hemoglobin A solutions with glycerol corresponds to literature data and means that if glycerol concentration is raised up to 40%, no changes of protein conformation are recorded by the method of solvent-perturbation differential spectrophotometry. An analysis of the IDAS of HbA in saline (control solution) and HbA solutions with glycerol was carried out. After freeze-thawing of HbA solutions with glycerol, no changes in the conformational state of proteins were recorded. The dependences of E/E on concentration of glycerol for HbA solutions with glycerol after freeze-thawing did not change. An analysis of the IDAS of hemoglobin A solutions with glycerol before and after freezing-thawing, was carried out. There is a permanence of negative maxima of the IDAS of hemoglobin A solutions with glycerol after freeze-thawing from corresponding samples till freeze-thawing. Intensities of negative maxima within 284-286 and 292 nm on the IDAS of hemoglobin A solutions with glycerol after freeze-thawing slighly differ from corresponding samples before freeze-thawing. The results obtained may be related to a change in the solvate shell of biopolymers. Providing hydroxyl groups, glycerol molecules are capable to occupy part of solvate shell of HbA with corresponding change in structure and energy parameters of the macromolecule, since the structure of the macromolecule in solution is known to be supported by a solvent in the immediate environment of the macromolecule. Stabilization occurs due to hydrogen bonds between nonelectrolytes and biopolymers, with nonelectrolytes acting as water substitutes, although influence effects of solvent not necessarily constitute a monotone function of the solvent composition.
我们研究了甘油对血红蛋白 A 的影响。我们使用溶剂扰动差分分光光度法和 IDAS（吸收光谱的一阶导数）分析方法研究了低温保护剂对血红蛋白 A 构象的影响。E/E 依赖性（血红蛋白在甘油中的吸收与血红蛋白在生理盐水中的吸收之差与血红蛋白在生理盐水中的吸收之比）与含甘油的血红蛋白 A 溶液中甘油浓度的线性性质符合文献数据，这意味着如果甘油浓度提高到 40%，用溶剂扰动差分分光光度法记录的蛋白质构象不会发生变化。对生理盐水（对照溶液）和含甘油的 HbA 溶液中 HbA 的 IDAS 进行了分析。将含甘油的 HbA 溶液冻融后，没有记录到蛋白质构象状态的变化。E/E 对含有甘油的 HbA 溶液中甘油浓度的依赖性在冻融后没有发生变化。对冻融前后含甘油的血红蛋白 A 溶液的 IDAS 进行了分析。从相应的样品到冻融，冻融后血红蛋白 A 溶液与甘油的 IDAS 负最大值一直存在。冻融后血红蛋白 A 与甘油溶液的 IDAS 在 284-286 纳米和 292 纳米范围内的负最大值的强度与冻融前的相应样品略有不同。这些结果可能与生物聚合物溶胶外壳的变化有关。甘油分子提供羟基，能够占据 HbA 溶剂外壳的一部分，并相应改变大分子的结构和能量参数，因为众所周知，溶液中大分子的结构受到大分子周围环境中溶剂的支持。非电解质和生物聚合物之间的氢键会产生稳定作用，非电解质可作为水的替代物，但溶剂的影响并不一定是溶剂成分的单调函数。
{"title":"STATE OF HEMOGLOBIN AFTER ITS FREEZING-THAWING WITH GLYCEROL","authors":"N. Timchenko, E. Shupova","doi":"10.29039/rusjbpc.2023.0580","DOIUrl":"https://doi.org/10.29039/rusjbpc.2023.0580","url":null,"abstract":"We have studied the influence of glycerol upon HbA. The cryoprotector effect on conformation of hemoglobin A was investigated using methods of solvent-perturbation differential spectrophotometry and analysis of the IDAS (first derivatives of absorption spectra). Linear nature of the E/E dependence (the ratio of the difference between absorption of hemoglobin in glycerol and absorption of hemoglobin in saline to absorption of hemoglobin in saline) on glycerol concentration for hemoglobin A solutions with glycerol corresponds to literature data and means that if glycerol concentration is raised up to 40%, no changes of protein conformation are recorded by the method of solvent-perturbation differential spectrophotometry. An analysis of the IDAS of HbA in saline (control solution) and HbA solutions with glycerol was carried out. After freeze-thawing of HbA solutions with glycerol, no changes in the conformational state of proteins were recorded. The dependences of E/E on concentration of glycerol for HbA solutions with glycerol after freeze-thawing did not change. An analysis of the IDAS of hemoglobin A solutions with glycerol before and after freezing-thawing, was carried out. There is a permanence of negative maxima of the IDAS of hemoglobin A solutions with glycerol after freeze-thawing from corresponding samples till freeze-thawing. Intensities of negative maxima within 284-286 and 292 nm on the IDAS of hemoglobin A solutions with glycerol after freeze-thawing slighly differ from corresponding samples before freeze-thawing. The results obtained may be related to a change in the solvate shell of biopolymers. Providing hydroxyl groups, glycerol molecules are capable to occupy part of solvate shell of HbA with corresponding change in structure and energy parameters of the macromolecule, since the structure of the macromolecule in solution is known to be supported by a solvent in the immediate environment of the macromolecule. Stabilization occurs due to hydrogen bonds between nonelectrolytes and biopolymers, with nonelectrolytes acting as water substitutes, although influence effects of solvent not necessarily constitute a monotone function of the solvent composition.","PeriodicalId":169374,"journal":{"name":"Russian Journal of Biological Physics and Chemisrty","volume":"53 33","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140970689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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