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Application of the Relativistic Electron Localization Function to Study the Electronic Structure of Superheavy Elements 应用相对论电子定位函数研究超重元素的电子结构
IF 0.6 4区 物理与天体物理 Q3 Materials Science Pub Date : 2024-04-01 DOI: 10.1134/s0030400x23070172
I. I. Tupitsyn, M. Y. Kaygorodov, D. A. Glazov, A. M. Ryzhkov, D. P. Usov, V. M. Shabaev

Abstract

A formula for calculating the relativistic electron localization function (RELF) within the framework of the Dirac–Fock method is obtained. An approach similar to that used earlier in [A.D. Becke and K.E. Edgecombe, The Journal of Chemical Physics 92, 5397 (1990)] in deriving an expression for the nonrelativistic electron localization function (ELF) is applied. It is demonstrated that the expression for RELF differs from the expression for ELF with replacement of the nonrelativistic electron density by its relativistic counterpart. Relativistic calculations of ELF and RELF for a number of superheavy elements are performed and the results are compared. By several examples it is shown that the ELF value equal to 0.5 does not necessarily correspond to the distribution density of homogeneous electron gas.

摘要 在狄拉克-福克方法的框架内获得了相对论电子局域函数(RELF)的计算公式。该方法类似于早先[A.D. Becke and K.E. Edgecombe, The Journal of Chemical Physics 92, 5397 (1990)]在推导非相对论电子定位函数(ELF)表达式时所使用的方法。结果表明,用相对论电子密度代替非相对论电子密度后,RELF 的表达式与 ELF 的表达式有所不同。对一些超重元素的 ELF 和 RELF 进行了相对论计算,并对结果进行了比较。通过几个例子表明,等于 0.5 的 ELF 值并不一定与均质电子气的分布密度一致。
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引用次数: 0
Deformation Response of Biological Phantoms and Cartilaginous Tissue at Laser Exposure 生物模型和软骨组织在激光照射下的变形响应
IF 0.6 4区 物理与天体物理 Q3 Materials Science Pub Date : 2024-04-01 DOI: 10.1134/s0030400x23100119
E. M. Kas’yanenko, A. I. Omel’chenko, O. I. Baum

Abstract

Regeneration of cartilaginous tissue and its shape change at laser exposure can be used as a basis for prospective medical operations, improving patient’s quality of life. The most important criterion of such operations success is a cell survival after laser exposure, therefore reduction of exposure duration and power is an important task at such methods development. Nanoparticles are actively used in medicine, and one of their intended usages is photothermal effect enhancement at laser exposure to biological tissue. However, articular tissue is quite resistant to foreign agents penetration, therefore the study of nanoparticles penetration capability and their impregnation effect is the priority task for achieving the desired medical effect. Optical coherence tomography (OCT) of gel phantoms and cartilaginous tissue of a joint, impregnated with nanoparticles, at laser exposure with erbium fiber laser with length wave of 1.56 μm is performed in this study. Articular cartilaginous tissue sections of three types (intact, with laser damage and after low laser exposure) were impregnated with nanoparticles of Fe3O4 for further study using OCT elastography. Increase of deformations, caused by heating of phantoms and tissue, impregnated with nanoparticles, is observed. OCT elastography data indicate the dependence of tissue deformation on previous tissue exposure history. The work substantiates increase of photothermal impact of laser exposure to tissue deformation at various nanoparticles introduction.

摘要 软骨组织的再生及其在激光照射下的形状变化可作为未来医疗手术的基础,从而改善患者的生活质量。此类手术成功与否的最重要标准是激光照射后细胞的存活率,因此缩短照射时间和降低照射功率是此类方法开发的重要任务。纳米粒子被广泛应用于医学领域,其用途之一是在激光照射生物组织时增强光热效应。然而,关节组织对外来物质的渗透有相当大的抵抗力,因此研究纳米粒子的渗透能力及其浸渍效果是实现预期医疗效果的首要任务。本研究使用长度为 1.56 μm 的铒光纤激光器对浸渍了纳米粒子的凝胶模型和关节软骨组织进行了光学相干断层扫描(OCT)。三种类型的关节软骨组织切片(完整、激光损伤和低激光照射后)都浸渍了纳米 Fe3O4 粒子,以便使用 OCT 弹性成像技术进行进一步研究。观察到浸渍了纳米粒子的模型和组织在加热后变形增加。OCT 弹性成像数据表明,组织变形与之前的组织暴露历史有关。这项研究证实了激光照射对组织变形的光热影响在不同纳米粒子引入时都会增加。
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引用次数: 0
Evaluation of the Influence of Chromium and Zinc Ions on the Collagenolysis Process in Solutions by the Method of Dynamic Light Scattering 用动态光散射法评估铬和锌离子对溶液中胶原蛋白溶解过程的影响
IF 0.6 4区 物理与天体物理 Q3 Materials Science Pub Date : 2024-04-01 DOI: 10.1134/s0030400x23100181
A. V. Petrova, A. V. Sidorova, I. A. Sergeeva, G. P. Petrova

Abstract

Using the method of dynamic light scattering, it was found that the rate of collagen cleavage under the influence of bacterial collagenase decreases by almost 4 times when protein molecules are doped with Cr3+ ions, and when the enzyme activator of Zn2+ ions is added, it increases by 1.3 times. Based on the experimental data, the reaction rate constants k1 were calculated. It was found that when collagen molecules are tanned with a chromium salt, it becomes more resistant to degradation in solutions containing zinc ions than in solutions with the addition of calcium ions, as we described in earlier works.

摘要 利用动态光散射的方法发现,当蛋白质分子中掺入 Cr3+ 离子时,在细菌胶原酶作用下胶原蛋白的裂解速率降低了近 4 倍,而当加入 Zn2+ 离子的酶活化剂时,则增加了 1.3 倍。根据实验数据,计算了反应速率常数 k1。研究发现,当胶原蛋白分子被铬盐鞣制后,在含有锌离子的溶液中比在添加了钙离子的溶液中更耐降解,这一点我们在之前的工作中已有描述。
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引用次数: 0
Laser Delivery and Spectral Study of a Modern Chlorine-Containing Drug for the Treatment of Onychomycosis at Laser Radiation with a Wavelength of 450 nm 波长为 450 纳米的激光照射下用于治疗甲癣的现代含氯药物的激光传输和光谱研究
IF 0.6 4区 物理与天体物理 Q3 Materials Science Pub Date : 2024-04-01 DOI: 10.1134/s0030400x2310003x
A. V. Belikov, Y. V. Fyodorova, A. D. Kozlova, S. N. Smirnov

Abstract

The possibility of active laser delivery of a modern chlorine-containing photosensitizing drug Chloderm (Chloderm, Russia) under the nail plate by laser radiation with a wavelength of 450 nm for the purpose of photodynamic therapy of onychomycosis is studied. In an in vitro experiment, sequential laser microporation of the nail plate and active delivery of the drug under the nail plate by this laser radiation with an intensity of up to 200 W/cm2 were investigated. The results of studying the absorption spectra of an aqueous solution of Chloderm in the range of 400–900 nm before and after exposure to 450 nm laser radiation are presented. It is demonstrated that sequential laser microporation and active laser drug delivery under the nail plate is possible at laser radiation intensity greater than 178 W/cm2. It is shown that the maximum rate and efficiency of nail plate ablation by 450 nm laser radiation is achieved at an intensity of 200 W/cm2 and is 2750 ± 30 μm/s and 1.47 ± 0.05 μm/mJ, respectively. The delivery rate of Chloderm under the nail plate is 1.15 ± 0.1 mg/s. It is shown that exposure to 450 nm laser radiation at the intensity of 200 W/cm2 for a time sufficient to deliver the drug under the nail plate does not change the extinction coefficient of the drug at the laser wavelength and slightly changes the conformational state of Chloderm.

摘要 研究了利用波长为 450 纳米的激光辐射在甲板下主动输送现代含氯光敏药物 Chloderm(Chloderm,俄罗斯)的可能性,目的是对甲癣进行光动力疗法。在体外实验中,研究了通过这种强度高达 200 W/cm2 的激光辐射对甲板进行连续激光微孔化和在甲板下主动给药的情况。研究结果显示了 Chloderm 水溶液在暴露于 450 纳米激光辐射前后在 400-900 纳米范围内的吸收光谱。结果表明,当激光辐射强度大于 178 W/cm2 时,可以在甲板下进行连续的激光微孔注射和主动激光给药。研究表明,450 nm 激光辐射强度为 200 W/cm2 时,甲板烧蚀的最大速率和效率分别为 2750 ± 30 μm/s 和 1.47 ± 0.05 μm/mJ。Chloderm 在甲板下的传输速率为 1.15 ± 0.1 mg/s。实验表明,在足以将药物输送到甲板下的时间内,以 200 W/cm2 的强度照射 450 nm 激光辐射不会改变药物在激光波长处的消光系数,但会轻微改变 Chloderm 的构象状态。
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引用次数: 0
Emission Spectra of Liquid-Jet Targets of Hexane C6H14, Dichloromethane CH2Cl2, Methylene Bromide CH3Br in the Range 4–20 nm under Pulsed Laser Excitation 脉冲激光激发下正己烷 C6H14、二氯甲烷 CH2Cl2 和溴甲烷 CH3Br 在 4-20 纳米范围内的液体喷射目标发射光谱
IF 0.6 4区 物理与天体物理 Q3 Materials Science Pub Date : 2024-04-01 DOI: 10.1134/s0030400x23100090
V. E. Guseva, A. N. Nechay, A. A. Perekalov, N. N. Salashchenko, N. I. Chkhalo

Abstract

The article discusses the results of studying the emission spectra of liquid hexane C6H14, dichloromethane CH2Cl2, methylene bromide CH3Br upon excitation by pulsed laser radiation. We used a Nd:YAG laser, λ = 1064 nm, τ = 5.2 ns, Epulse = 0.8 J. The spectral range of 4–20 nm was studied. We used injector with a hole 225 μm in diameter, operating in a pulsed mode to form a liquid-droplet jet. The emission spectra of these liquid-jet targets were obtained. The obtained spectra were decoded, and the ions emitting in this spectral range were determined.

摘要 本文讨论了液态己烷 C6H14、二氯甲烷 CH2Cl2 和亚甲基溴 CH3Br 在脉冲激光辐射激发下的发射光谱研究结果。我们使用了 Nd:YAG 激光器,λ = 1064 nm,τ = 5.2 ns,Epulse = 0.8 J。我们使用了直径为 225 μm 的喷射器,以脉冲模式运行,形成液滴射流。我们获得了这些液体喷射目标的发射光谱。对获得的光谱进行了解码,并确定了在此光谱范围内发射的离子。
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引用次数: 0
On the Area of Extremely Short Electromagnetic Pulses in Medium for Problems of a Finite Integration Region 论有限积分区问题介质中的极短电磁脉冲区域
IF 0.6 4区 物理与天体物理 Q3 Materials Science Pub Date : 2024-04-01 DOI: 10.1134/s0030400x23100168
V. G. Nikolaev

Abstract

Based on the one-dimensional Maxwell equations of electrodynamics of continuous medium, the balance ratios of electric and magnetic areas for problems solved in a finite region in space and time are obtained.

摘要 基于连续介质的一维麦克斯韦电动力学方程,获得了在有限空间和时间区域内求解问题的电场和磁场的平衡比。
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引用次数: 0
Wide-Band EPR Spectroscopy of SrY2O4:Ho3+ Crystal SrY2O4:Ho3+ 晶体的宽带 EPR 光谱
IF 0.6 4区 物理与天体物理 Q3 Materials Science Pub Date : 2024-04-01 DOI: 10.1134/s0030400x23100211
G. S. Shakurov, B. Z. Malkin, R. G. Batulin, A. G. Kiiamov

Abstract

EPR spectra of impurity Ho3+ ions in oriented SrY2O4 single-crystals are registered at the temperature 4.2 K in the frequency range from 70 to 180 GHz. The results of measurements evidence for the substitution of Ho3+ ions for the Y3+ ions at the structurally nonequivalent sites R1 and R2 with the local Cs point symmetry. The values of g-factors, hyperfine structure constants and the energy gaps between the ground and the first excited non-degenherate crystal-field sublevels of the ground 5I8 multiplet are determined. The observed specific features of the ground states of Ho3+ ions (non-Kramers doublets with the zero-field splittings of 4.30 and 1.67 cm–1) open a possibility to identify transitions in optical spectra of SrY2O4:Ho and inelastic neutron scattering spectra of SrHo2O4 crystals.

摘要 在温度为 4.2 K、频率为 70 至 180 GHz 的范围内,记录了取向 SrY2O4 单晶中杂质 Ho3+ 离子的电子能谱。测量结果表明,Ho3+ 离子取代了局部具有 Cs 点对称性的非等效位点 R1 和 R2 上的 Y3+ 离子。测定了 g 因子值、超精细结构常数以及基态 5I8 多重子的基态和第一个激发的非退化晶场子级之间的能隙。观察到的 Ho3+ 离子基态的具体特征(零场分裂为 4.30 和 1.67 cm-1 的非克拉默斯双音)为确定 SrY2O4:Ho 光学光谱和 SrHo2O4 晶体非弹性中子散射光谱中的跃迁提供了可能性。
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引用次数: 0
Luminescent Studies of Bisphenol A Solutions under the Action of the Electron Beam 双酚 A 溶液在电子束作用下的发光研究
IF 0.6 4区 物理与天体物理 Q3 Materials Science Pub Date : 2024-04-01 DOI: 10.1134/s0030400x23100247
O. N. Tchaikovskaya, E. N. Bocharnikova, G. V. Mayer, V. I. Solomonov, A. S. Makarova, A. N. Orlov, V. V. Osipov, S. A. Chaikovsky

Abstract

The results of measuring the luminescence of ambient air and solutions of an organic compound during their irradiation with a high-current pulsed electron beam with an average energy of Ee = 170 keV and a duration of 2 ns, generated by the RADAN-303 accelerator, are presented. It is shown that, under such exposure, the transformation of dissolved bisphenol A occurs, which is accompanied by an increase in the absorption coefficient of the solution in the wavelength range of more than 300 nm and, as a consequence, a decrease in the intensity of air luminescence bands with an increase in the number of irradiation pulses. The results showed the degradation of the BPA solution to complete decomposition under the action of an electron beam treatment.

摘要 介绍了在 RADAN-303 加速器产生的平均能量为 Ee = 170 keV、持续时间为 2 ns 的大电流脉冲电子束照射下,测量环境空气和一种有机化合物溶液发光情况的结果。结果表明,在这种辐照条件下,溶解的双酚 A 会发生转变,伴随着溶液在 300 纳米以上波长范围内吸收系数的增加,空气发光带的强度也会随着辐照脉冲数的增加而降低。结果表明,在电子束的作用下,双酚 A 溶液降解至完全分解。
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引用次数: 0
Ir Transparency of Thin Bismuth Films 铋薄膜的 Ir 透明度
IF 0.6 4区 物理与天体物理 Q3 Materials Science Pub Date : 2024-04-01 DOI: 10.1134/s0030400x23100223
E. Yu. Shamparov, A. L. Bugrimov, S. V. Rode, I. N. Jagrina

Abstract

The infrared transmission and reflection spectra of a series of samples of bismuth films of different thicknesses on identical single-crystal silicon substrates were measured. Transmission and reflection oscillations caused by interference on the film thickness are investigated. Properties of Si-plates are estimated. Refractive index and absorption index of bismuth are calculated.

摘要 在相同的单晶硅衬底上测量了一系列不同厚度铋薄膜样品的红外透射和反射光谱。研究了由薄膜厚度干扰引起的透射和反射振荡。估算了硅板的特性。计算了铋的折射率和吸收率。
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引用次数: 0
Luminescence of Boron Difluoride Ditoluoylmethanate. Formation of J-Aggregates 二氟化硼二itoluoylmethanate 的发光。J 聚合物的形成
IF 0.6 4区 物理与天体物理 Q3 Materials Science Pub Date : 2024-04-01 DOI: 10.1134/s0030400x23100144
A. G. Mirochnik, E. V. Fedorenko, A. Yu. Beloliptsev

Abstract

The processes of the formation of J-aggregates during the dissolution 2,2-difluoro-4,6-di(4'-methylphenyl)-1,3,2-dioxaborine crystals (1) and their subsequent dissociation have been studied by absorption and luminescence spectroscopy and quantum-chemical modeling. It is shown that two luminescent centers are observed in the solution 1: monomeric luminescence and luminescence of J-aggregates (dual luminescence). Evolution of absorption, excitation and luminescence spectra is observed over time, indicating a slow dissociation of J-aggregates.

摘要 通过吸收光谱、发光光谱和量子化学模型研究了 2,2-二氟-4,6-二(4'-甲基苯基)-1,3,2-二氧硼烷晶体(1)溶解过程中 J-团聚体的形成及其随后的解离过程。研究表明,在溶液 1 中可以观察到两个发光中心:单体发光和 J-聚集体发光(双发光)。观察到吸收、激发和发光光谱随时间的变化,表明 J-聚集体的解离速度很慢。
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引用次数: 0
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Optics and Spectroscopy
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