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The Structural and Thermodynamic Parameters of a Biopolymeric Oral Delivery System for a Liposomal Form of a Combination of Nutraceuticals 一种用于营养品组合的脂质体形式的生物聚合物口服递送系统的结构和热力学参数
IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701240
M. G. Semenova, A. S. Antipova, E. I. Martirosova, M. S. Anokhina, D. V. Zelikina, N. G. Bogdanova, N. P. Palmina

A liposomal formulation comprising a combination of hydrophobic nutraceuticals (omega-3 docosahexaenoic polyunsaturated fatty acid (DHA) and one of the most active plant antioxidants, namely clove essential oil (CEO)) was prepared using soy phosphatidylcholine (PC). The impact of DHA and CEO on the microviscosity of the bilayer of PC liposomes was investigated through the use of EPR-spectroscopy. Furthermore, the impact of DHA and CEO on the phase state of the bilayer of model liposomes of dipalmitoylphosphatidylcholine was investigated through differential scanning calorimetry. A combination of EPR-spectroscopy and differential scanning calorimetry, was employed to investigate the impact of the encapsulation of liposomes PC−DHA−CEO with a covalent conjugate (C) of sodium caseinate and maltodextrin on the structural state of the bilayer. The structural parameters of a water-soluble supramolecular complex, PC−DHA−CEO−C, formed as a result of the encapsulation process, were also investigated using laser light scattering. These included the molar mass, size, density, architecture and zeta potential of the complex. In addition, the thermodynamic parameters, specifically the osmotic second virial coefficient, were examined. The key structural parameters of this complex have been identified as providing effective protection of PUFAs included in its composition from oxidation by air oxygen.

以大豆磷脂酰胆碱(PC)为原料,制备了一种由疏水营养品(omega-3二十二碳六烯多不饱和脂肪酸(DHA)和最活跃的植物抗氧化剂之一丁香精油(CEO))组成的脂质体制剂。采用epr光谱法研究了DHA和CEO对PC脂质体双分子层微粘度的影响。此外,通过差示扫描量热法研究了DHA和CEO对双棕榈酰磷脂酰胆碱模型脂质体双分子层相态的影响。采用epr光谱法和差示扫描量热法研究了用酪蛋白酸钠和麦芽糖糊精共价缀合物(C)包封脂质体PC - DHA - CEO对双层结构状态的影响。用激光散射法研究了包封后形成的水溶性超分子复合物PC - DHA - CEO - C的结构参数。这些包括络合物的摩尔质量、大小、密度、结构和ζ电位。此外,还对渗透二次维里系数等热力学参数进行了研究。该配合物的关键结构参数已被确定为可有效保护其组成中的pufa不被空气氧氧化。
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引用次数: 0
Peculiarities of DNA Binding to Two-Dimensional Crystals of Bacterial Protein DPS from Escherichia coli Based on Molecular Dynamics Data 基于分子动力学数据的大肠杆菌细菌蛋白DPS二维晶体DNA结合特性研究
IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2025-01-15 DOI: 10.1134/S199079312470146X
E. V. Tereshkin, K. B. Tereshkina, N. G. Loiko, V. V. Kovalenko, Y. F. Krupyanskii

In this work, using coarse-grained molecular modeling methods, the interactions of DNA-binding protein from starved cells (Dps) of the bacterium Escherichia coli with DNA sections of various lengths and composition are investigated. The binding features in two-dimensional crystals of the Dps protein are studied. Using free energy search methods—thermodynamic integration and linear interaction energy—the most favorable conditions for the binding of DNA and Dps are determined.

在这项工作中,使用粗粒度的分子建模方法,研究了大肠杆菌饥饿细胞(Dps)的DNA结合蛋白与不同长度和组成的DNA片段的相互作用。研究了Dps蛋白在二维晶体中的结合特性。利用自由能搜索法——热力学积分法和线性相互作用能法,确定了DNA与Dps结合的最有利条件。
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引用次数: 0
Influence of Europium Chelate on the Chemiluminescence Kinetics During the Free-Radical Oxidation of Lipid Samples of Vegetable Origin 铕螯合物对蔬菜源性脂质自由基氧化过程中化学发光动力学的影响
IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701239
V. V. Naumov, G. F. Fedorova, T. L. Veprintsev, O. I. Yablonskaya, A. V. Trofimov

The chemically inert luminophore, the chemiluminescence enhancer 1,10-phenanthroline-tris(thenoyl-trifluoroacetonate) of trivalent europium, increases the intensity of light emission by an order of magnitude during the initiated oxidation of lipid samples of vegetable origin (sunflower oil). The introduction of a light enhancer into the chemiluminescent system leads to a change in the kinetic profile, removing the characteristic peaks on the kinetic curves at the end of the induction period of the oxidation process, but without changing the induction period itself. Using mathematical computer modeling based on a kinetic scheme of 23 elementary reactions, it is shown that the observed kinetic behavior can be rationalized by a disproportionate increase in the quantum yields of chemiluminescence derived from different electronically excited products (light emitters) formed during the oxidation process.

化学惰性发光团,三价铕的化学发光增强剂1,10-菲罗啉-三(壬基三氟丙酮),在植物源脂质样品(葵花籽油)的初始氧化过程中增加了一个数量级的发光强度。在化学发光系统中引入光增强剂会导致动力学曲线的变化,去除氧化过程诱导期结束时动力学曲线上的特征峰,但不会改变诱导期本身。利用基于23个基本反应的动力学方案的数学计算机模型,表明所观察到的动力学行为可以通过氧化过程中形成的不同电子激发产物(发光体)的化学发光量子产率的不成比例的增加来合理化。
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引用次数: 0
Experimental Simulation of Pyrolysis Products Recycling via Detonation 热解产物爆轰回收的实验模拟
IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701379
E. K. Anderzhanov, S. P. Medvedev, S. V. Khomik, G. L. Agafonov, A. N. Ivantsov, V. N. Mikhalkin, A. M. Tereza, I. V. Bilera

Earlier the efficiency of a stand in form of the open-end Π-shape tube for deflagration-to-detonation transition (DDT) of propane—air mixtures at normal pressure was shown. In this work, the study of the DDT is extended to the mixtures modeling real gaseous pyrolysis products of polyethylene and rubber-containing industrial and domestic waste. Modeling mixtures with air contain Н2, СН4, С2Н6, С2Н4, С3Н8 and С3Н6 in stoichiometric or lean concentration based on the experimental data presented in the literature. Conditions when the DDT can be reached (stand design, initial pyrolysis products mixture concentration) are defined. Measurements of the temperature of the mixture passed through the stand in addition to dynamic measurements allow to define the character of the processing: DDT, fast or slow deflagration. It has been shown that propane as a model fuel may be used instead of pyrolysis gases mixtures when studying DDT. The results supposed to be helpful for the waste recycling industrial setups engineering.

早些时候,展示了常压下丙烷-空气混合物爆燃-爆轰过渡(DDT)的开放式Π-shape管形式的支架的效率。在这项工作中,DDT的研究扩展到模拟聚乙烯和含橡胶的工业和生活废物的真实气体热解产物的混合物。根据文献中提供的实验数据,模拟空气混合物中含有Н2, СН4, С2Н6, С2Н4, С3Н8和С3Н6的化学计量或贫浓度。确定了达到DDT的条件(台架设计、初始热解产物混合物浓度)。除了动态测量外,通过机架的混合物温度测量允许定义处理的特性:滴滴涕,快速或缓慢爆燃。研究表明,在研究DDT时,可以用丙烷代替热解气体混合物作为模型燃料。研究结果对垃圾回收工业装置工程具有一定的指导意义。
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引用次数: 0
Magnetic Field as a Means to Kill Cancer 磁场是杀死癌症的一种手段
IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701161
A. L. Buchachenko

This paper accentuates the question, why magnetic field kills cancer. Spin selective radical pair mechanism of p53 phosphorylation is formulated to elucidate enigmatic magnetic field effect on the cancer. The idea is suggested to use ferromagnetic nanoparticles to induce local magnetic fields in tumor and stimulate the death of cancer.

这篇论文强调了为什么磁场能杀死癌症这个问题。提出了p53磷酸化的自旋选择性自由基对机制,以阐明磁场对癌症的神秘作用。提出了利用铁磁纳米粒子在肿瘤内诱导局部磁场,刺激肿瘤死亡的思路。
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引用次数: 0
Study of Thermal Denaturation of a Plasminogen Molecule Under Induced Oxidation 诱导氧化作用下纤溶酶原分子热变性的研究
IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701215
L. A. Wasserman, E. S. Gavrilina, L. V. Yurina, A. D. Vasilyeva, M. A. Rosenfeld

This article studies the thermal denaturation of a plasminogen molecule during induced oxidation by hypochlorite in a range of concentrations (30, 62.5, 125, and 250 µM). Using differential scanning calorimetry, it is determined that in the presence of an oxidizing agent, the enthalpy of denaturation of the plasminogen molecule decreases. This is most noticeable for the peak showing the melting of the K4–K5 kringle domains. These results are consistent with the previously obtained data on the oxidative modification of amino acid residues of plasminogen treated with different concentrations of hypochlorite using the HPLC-MS/MS method. Taken together, these data and the results of previous studies indicate that the structure of full-length plasminogen is adapted to moderate HOCl-induced oxidation.

本文研究了在不同浓度(30、62.5、125和250µM)的次氯酸盐诱导氧化过程中纤溶酶原分子的热变性。用差示扫描量热法测定,在氧化剂的存在下,纤溶酶原分子的变性焓降低。这在K4-K5 kringle域的熔化峰上最为明显。这些结果与先前用HPLC-MS/MS方法得到的不同浓度次氯酸盐处理纤溶酶原氨基酸残基的氧化修饰数据一致。综上所述,这些数据和以往的研究结果表明,全长纤溶酶原的结构适应于hocl诱导的中度氧化。
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引用次数: 0
A Comparative Analysis of Simulation of Collision Induced Dissociation on Two Different Potential Energy Surfaces 两种不同势能面上碰撞诱导解离模拟的比较分析
IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701409
V. M. Azriel’, V. M. Akimov, E. V. Ermolova, D. B. Kabanov, L. I. Kolesnikova, L. Yu. Rusin, M. B. Sevryuk

We present the results of quasiclassical trajectory simulation of dissociation of CsBr molecules in collisions with Xe atoms (at collision energies ranging from 3 to 12 eV) on two diabatic potential energy surfaces differing in the parameters of the potential well and of the repulsive wall for the pairwise interaction potential between the xenon atom and the bromide anion. The dynamical characteristics of both the dissociation channels (of the formation of the atomic ions and of that of the ionic complex XeCs+) are practically independent of the interaction potential between Xe and Br.

本文给出了CsBr分子与Xe原子(碰撞能量为3 ~ 12 eV)在两个非绝热势能面上碰撞离解的准经典轨迹模拟结果,这两个非绝热势能面对于氙原子和溴离子之间的成对相互作用势的势阱和排斥壁参数不同。两个解离通道(原子离子的形成和离子络合物XeCs+的形成)的动力学特性实际上与Xe和Br -之间的相互作用势无关。
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引用次数: 0
Photonics of Bilirubin: A Biologically Important Molecule (Review) 胆红素光子学:一个重要的生物学分子(综述)
IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701173
A. S. Tatikolov, I. G. Panova

Bilirubin (BR), a bile pigment with photochemical activity, plays an important role in the body. The photonics (photophysics and photochemistry) of BR continues to attract scientific and practical interest from researchers to this day. This is due to the fact that its molecule is capable of ultrafast photoisomerization processes and also contains two interacting dipyrromethenone chromophores. Furthermore, the photochemical reactions of BR are used in the widespread phototherapy method of neonatal jaundice (neonatal hyperbilirubinemia (NHB)), carried out to reduce the level of BR in the body. This review briefly discusses the photonics of BR and its main photochemical reactions in the phototherapy of NHB.

胆红素(Bilirubin, BR)是一种具有光化学活性的胆色素,在人体中起着重要作用。BR的光子学(光物理和光化学)直到今天仍然吸引着研究人员的科学和实践兴趣。这是由于其分子能够进行超快的光异构化过程,并且还包含两个相互作用的二吡咯美酮发色团。此外,BR的光化学反应被广泛用于新生儿黄疸(新生儿高胆红素血症(NHB))的光疗方法,以降低体内BR的水平。本文就BR的光子学及其在NHB光疗中的主要光化学反应作一综述。
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引用次数: 0
Magnetic Aerogels Based on Reduced Graphite Oxide—Sorbents of the Carcinogenic Compound K2Cr2O7 致癌物K2Cr2O7的还原石墨氧化物吸附剂磁性气凝胶研究
IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701471
E. A. Eremina, A. A. Dobrovolskii, I. A. Lemesh, A. V. Kaplin, A. V. Grigorieva, E. A. Goodilin

The dependence of the degree of sorption of potassium dichromate by aerogels based on reduced graphite oxide and superparamagnetic iron oxide nanoparticles of the rGO⋅Fe3O4 composition on the mass of the sorbent, acidity, and temperature of the medium is studied. It is shown that in order to increase the degree of potassium dichromate sorption by the rGO⋅Fe3O4 magnetic aerogel, the process is best carried out at room temperature in media with low pH value lower than 5. The results obtained make it possible to propose aerogels rGO⋅Fe3O4 as environmentally friendly sorbents for water purification from the carcinogenic substance of potassium dichromate. The proposed materials after completion of the sorption process can be completely removed from the reaction medium using an external magnetic field, thereby preventing them from acting as pollutants. It is important to note that the described 3D structures based on GO and nanoparticles of superparamagnetic iron oxide Fe3O4 are of practical importance for the treatment of wastewater from enterprises using an oxidative method for removing phenols, cresols, and cyan-containing substances from impurities using potassium dichromate and sulfuric acid.

研究了还原氧化石墨和超顺磁性氧化铁纳米颗粒(rGO⋅Fe3O4)气凝胶对重铬酸钾的吸附程度与吸附剂质量、介质酸度和温度的关系。结果表明,为了提高rGO⋅Fe3O4磁性气凝胶对重铬酸钾的吸附程度,该工艺最好在室温下、pH值小于5的低介质中进行。研究结果表明,气凝胶rGO⋅Fe3O4可作为环境友好型吸附剂,用于净化致癌物质重铬酸钾的水。在完成吸附过程后,可以使用外部磁场将所建议的材料完全从反应介质中除去,从而防止它们作为污染物。值得注意的是,所描述的基于氧化石墨烯和超顺磁性氧化铁Fe3O4纳米颗粒的三维结构对于使用重铬酸钾和硫酸氧化法去除杂质中的酚类、甲酚类和含氰物质的企业废水处理具有实际意义。
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引用次数: 0
Structure and Morphology of Cobalt-Doped Cubic–Rhombohedral In2O3 钴掺杂立方菱形In2O3的结构和形貌
IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Pub Date : 2025-01-15 DOI: 10.1134/S1990793124701495
M. I. Ikim, A. R. Erofeeva, E. Yu. Spiridonova, V. F. Gromov, G. N. Gerasimov, L. I. Trakhtenberg

The influence of cobalt additives on the phase composition, structural parameters, and morphology of indium oxide containing a mixture of crystalline phases is studied. The hydrothermal synthesis method is used to obtain the corresponding systems. It is shown that during the hydrothermal reaction, a mixture of phases of indium hydroxide and oxyhydroxide is formed, which, in turn, after thermal decomposition, transform into cubic and rhombohedral indium oxide, respectively. Depending on the concentration of the introduced cobalt, the ratio between the phases changes. At a concentration of 0.05 at % Co, the cubic phase is prevalent, while at an introduction of 0.25 at %, the rhombohedral phase is prevalent compared to the undoped sample. An increase in the concentration of cobalt leads to a decrease in the particle size, as well as an increase in the specific surface area and porosity of the composites. At the same time, the introduction of cobalt does not significantly affect the morphology of the resulting systems.

研究了钴添加剂对混合晶相氧化铟的相组成、结构参数和形貌的影响。采用水热合成的方法得到了相应的体系。结果表明,在水热反应过程中,形成氢氧化铟和氢氧氧相的混合物,经过热分解,分别转化为立方和菱形氧化铟。根据引入的钴的浓度,两相之间的比例会发生变化。当Co浓度为0.05 At %时,与未掺杂样品相比,立方相普遍存在,而当Co浓度为0.25 At %时,菱形相普遍存在。随着钴浓度的增加,颗粒尺寸减小,复合材料的比表面积和孔隙率增加。同时,钴的引入不会显著影响所得体系的形貌。
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引用次数: 0
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Russian Journal of Physical Chemistry B
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