?
Lipid II as a Target for Novel Antibiotics:Structural and Molecular Dynamics Studies.
Russian Journal of Bioorganic Chemistry. 2018. Vol. 44. No. 6. P. 653–664.
The growing problem of antibiotic resistance in medicine raises the attention to antimicrobial substances that act on non-protein molecules, which have more conservative structure comparing to proteins or peptides. One of the most promising and studied targets is lipid II — the participant of the bacterial cell wall biosynthetic pathway. Lipid II is present in the bacterial membrane only and has a conservative chemical structure. There are several classes of natural antibiotics acting on lipid II, some of which block the peptidoglycan synthesis by formation of a strong complex with lipid II, and others have an additional bactericidal mechanism involved a violation of the membrane integrity. This review examines the prospects for using such antibacterial substances as new drugs to combat antibiotic-resistant pathogens. The main emphasis is made on the studies of membrane-embedded lipid II structure and molecular mechanisms of its recognition by water-soluble antibiotics, and also on computer modelling of their interaction.
Priority areas:
IT and mathematics
Language:
English
Andreeva S., Gavrilov A. A., Dzhikirba K. R. et al., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 Article 134515
We examine plasma excitations with linear dispersion in a system of superconducting electrons in thin
NbN disks. Using frequency-domain terahertz spectroscopy, we study the evolution of plasmons up to critical
temperature Tc. The observed excitations tend to shift to the lower frequencies while temperature is increasing
and the spectral features vanish at T > Tc. We study the ...
Added: September 23, 2026
Образцова А. А., Ivanov K., Moiseev E. et al., Journal of Physics D: Applied Physics 2026 Vol. 59 No. 30 P. 305103
We demonstrate a thermo-optically tunable microlaser based on an InGaAs/GaAs quantum-dot (QD) active region employing a deformed limaçon-shaped cavity. The asymmetric geometry effectively lifts the degeneracy of high-Q whispering-gallery modes, enabling single-mode lasing. A side-mode suppression ratio exceeds 25 dB over a wide current range. Under continuous-wave electrical pumping, the device achieves a peak output power ...
Added: September 23, 2026
Budkov Y., Journal of Chemical Physics 2026 Vol. 165 No. 12 Article 124105
Exact theories of electrolyte structure must satisfy the nonlocal constraints imposed by electrostatic screening, yet these constraints are most commonly formulated only for homogeneous bulk systems and at the level of two-point correlations. Here, we develop a unified field-theoretic framework that extends them to general inhomogeneous ionic fluids and nonlinear charge correlations. Using a standard ...
Added: September 22, 2026
Боровицкая И. В., Пименов В. Н., Коршунов С. Н. et al., Перспективные материалы 2026 № 10 С. 37–54
Проведено сравнение, обобщение и систематизация механизмов эрозии и разрушения
поверхности малоактивируемых материалов, перспективных для использования в
качестве материалов вакуумной камеры термоядерных реакторов: ванадия, его сплава
V – 10 Ti – 6 Cr – 0,05 Zr – 0,1 Si и вольфрама при последовательном воздействии на
них ионных и тепловых потоков. Тепловые потоки имитировали с помощью мощного
импульсного лазерного излучения (ЛИ), создаваемого ...
Added: September 22, 2026
Iontsev M.A., Mukhin S. I., Fistul M. V., Physical Review B: Condensed Matter and Materials Physics 2016 Vol. 94 No. 17 P. 174–510
We report a theoretical study of the ac response of superconducting quantum metamaterials (SQMs), i.e., an array of qubits (two-level systems) embedded in a low-dissipative resonator. By making use of a particular example of a SQM, namely the array of charge qubits capacitively coupled to the resonator, we obtain a second-order phase transition between an ...
Added: September 22, 2026
Shilov A. L., Elesin L., Kravtsov M. et al., Nature Communications 2026 Vol. 17 No. 1 Article 9734
Identifying the microscopic processes limiting conductivity is essential for understanding correlated quantum materials. In twisted bilayer graphene, metallic resistivity follows ρ ~ Tα with widely varying α, fueling competing interpretations from phonon-limited transport and umklapp scattering to strange metallicity and heavy-fermion renormalization. Here, we use terahertz excitation to selectively heat electrons while keeping the lattice cold, separating ...
Added: September 20, 2026
Копьев А., JETP Letters 2026 Vol. 123 No. 5 P. 310–316
The incompressible three-dimensional Euler equations develop very thin pancake-like regions of exponen tially increasing vorticity. The characteristic thickness of such regions decreases exponentially with time, while the other two dimensions do not change considerably, making the flow near each pancake strongly anisotropic. The pancakes emerge in increasing number with time, which may enhance the anisotropy ...
Added: September 18, 2026
Shaitan A., Ke Y., Shutao C. et al., BMC Biology 2026 No. 24 Article 181
Background Therapeutic peptides exert pivotal effects in diverse biological processes, and have attracted significant interest in the field of biomedicine in recent years. However, most existing methods often fail to adequately capture the intricate interactions among amino acid residues and the contextual dependencies within peptide sequences, which hampers the extraction of deep semantic representations and ...
Added: September 18, 2026
Захаров А. В., Düven H., Capar M. I., Physics Letters A 2026 No. 576 Article 131388
Molecular dynamics simulations were carried out to study the structural properties of nematic pentyl
cyanobiphenyl (5CB) and pentyloxy cyanobiphenyl (5OCB) liquid crystals (LCs) doped with gold nanoparti
cles (GNPs) of different numbers, shapes and sizes. The spherical GNPs of two different radii and rod-like have
been doped in 5CB and 5OCB cyanobiphenyl liquid crystals. In order to describe ...
Added: September 17, 2026
Anton Rogachev, Sysoeva O., Frontiers in Systems Neuroscience 2025 Vol. 19 Article 1658243
Added: September 17, 2026
Rogachev A.O., Sysoeva O. V., Cognitive Systems Research 2024 Vol. 86 Article 101236
Receptive speech is the ability to understand speech addressed to a person. It is a crucial process for a child’s cognitive development. We examine the relationship between receptive speech and neural tracking of natural speech in 52 children aged 3–8 years to infer the neurophysiological mechanisms underlying speech development. We registered a 32-channel electroencephalogram (EEG) ...
Added: September 17, 2026
Andreev D. V., Kornev S. A., Bondarenko G.G. et al., Inorganic Materials: Applied Research 2026 Vol. 17 No. 5 P. 1226–1230
Comparative studies are carried out to investigate high-field charge degradation effects in the gate
dielectric of metal—insulator—semiconductor (MIS) structures with aluminum and polysilicon gates.
Charging phenomena in MIS structures are explored using high-field electron injection into the dielectric
under conditions of gradually increasing voltage current density, with periodic short-term switching to a measurement
mode at a constant low injection ...
Added: September 15, 2026
Poddiakov A., / Series Social Science Research Network "Social Science Research Network". 2026. No. 7437658.
Clarity of knowledge and reasoning is necessary in many cases. Yet vagueness in scientific thinking related to surprise, curiosity, "ability to engage with not-knowing" (de Freitas) and abductive reasoning is also a crucially important source of scientific creativity which supplements combinatorial logic when dealing with the already known. Starting from studies by C. S. Peirce ...
Added: September 15, 2026
Water confined in heterogeneous clay–quartz pores: Structure and dynamics from atomistic simulations
Glushak A., Tararushkin E., Smirnov G., Colloids and Surfaces A: Physicochemical and Engineering Aspects 2027 Vol. 752 Article 141756
The molecular-scale behavior of water in heterogeneous clay–quartz systems is critical for understanding cementation processes in natural soils and compacted bentonite, which is crucial for oil recovery and nuclear waste disposal barriers construction. Here we investigate how heterogeneity of mixed Na-montmorillonite and α-quartz surfaces affect water structure and dynamics in nanopores of 2.5 to 60 Å ...
Added: September 15, 2026
Bochkin G., Doronin S., Fel’dman E. et al., Lobachevskii Journal of Mathematics 2024 Vol. 45 No. 3 P. 1188–1207
We consider the remote state restoring and perfect transfer of the zero-order coherence matrix (PTZ) in a spin system governed by the XXZ-Hamiltonian conserving the excitation number. The restoring tool is represented by several nonzero Larmor frequencies in the Hamiltonian. To simplify the analysis we use two approximating models including either step-wise or pulse-type time-dependence ...
Added: September 14, 2026
Fel’dman E. B., Lazarev I., Pechen A. N. et al., Quantum Information Processing 2026 Vol. 25 Article 121
We consider the state-restoring protocol based on the controlled interaction of a linear chain with environment through incoherent control by the specially adjusted step-wise time-dependent Lindblad operators. We show that the best restoring result (maximal scale factors in the restored state) corresponds to the symmetrical Lindblad equation. (0, 1)-excitation dynamics is considered numerically, and restoring ...
Added: September 14, 2026
Shabanov N., Kuricheva O., Kurbatova J. et al., / Series Working Papers SSRN "Department of Economics Ca’ Foscari University of Venice". 2026.
The carbon balance of an ecosystem is the difference between Gross Primary Productivity (GPP) and Ecosystem Respiration (Reco) as expressed by Net Ecosystem Exchange (NEE). While remote sensing retrievals of GPP have reached maturity, Reco estimation remains underexplored and ultimately cast bias on NEE. Here we present an end-to-end multi-scale analysis of the mechanism of ...
Added: August 21, 2026
Ponomarenko A., / Series Computer Science "arxiv.org". 2025.
This paper addresses the challenge of merging hierarchical navigable small world (HNSW) graphs, a critical operation for distributed systems, incremental indexing, and database compaction. We propose three algorithms for this task: Naive Graph Merge (NGM), Intra Graph Traversal Merge (IGTM), and Cross Graph Traversal Merge (CGTM). These algorithms differ in their approach to vertex selection ...
Added: July 30, 2026
Piontkovski D., / Series arXiv "math". 2026.
A noncommutative projective variety is defined, following Artin and Zhang, by a graded coherent algebra 𝐴. The category of coherent sheaves is then the quotient qgr(𝐴) of the category of finitely presented graded modules by the subcategory of torsion modules. We consider the categorical and polynomial entropies of the Serre twist, that is, of the ...
Added: June 23, 2026
Piontkovski D., / Series arXiv "math". 2025.
If a symmetric multilinear algebra is weakly nil, then it is Engel. This result may be regarded as an infinite-dimensional analogue of the well-known Jacobian theorem, which states that if a polynomial mapping has a polynomial inverse, then its Jacobian matrix is invertible. This refines a theorem of Gerstenhaber and partially answers a question posed ...
Added: June 23, 2026
Shipilov F., Barnyakov A., Ivanov A. et al., / Series Physics "arxiv.org". 2026.
A fast simulation of the detector response is a vital task in high-energy physics (HEP). Traditional Monte-Carlo methods form the backbone of modern particle physics simulation software but are computationally expensive. We present a machine-learning-based approach to fast simulation of the Focusing Aerogel Ring Imaging Cherenkov (FARICH) detector response. Given a particle track and momentum, ...
Added: May 19, 2026
Khnkoian G., Galigerov V., Grishichkin Y. et al., , in: Parallel Computational Technologies, 19th International Conference, PCT 2025, Moscow, Russia, April 8–10, 2025, Revised Selected Papers. (CCIS, volume 2891)Vol. 2891.: Springer, 2026. P. 532–545.
This work presents atomic-scale modeling of the perturbed flow of a Lennard-Jones fluid in a quasi-two-dimensional system containing one billion atoms. A statistically stationary flow regime corresponding to a Reynolds number of Re ≈ 1000 has been achieved, the flow structure has been analyzed, and the energy spectrum of velocities has been calculated. The results ...
Added: May 19, 2026
Мальцева В. Е., Милевская А. В., Милевский Н. А. et al., Теоретические основы химической технологии 2025 Т. 59 № 3 С. 13–22
Проведено квантово-химическое моделирование механизма экстракции Fe(III) из солянокислого раствора с использованием гидрофобных эвтектических растворителей на основе 1-октанола. Установлено, что путь реакции существенно различается в зависимости от того, является ли инертный компонент донором или акцептором водородной связи в димере с октанолом. На основе оценки прочности водородных связей показано, что более слабое взаимодействие между компонентами упрощает протекание ...
Added: May 13, 2026
Derkacheva A., Sakirkina M., Kraev G. et al., /. 2026.
Comprehensive data on natural hazards and their consequences are crucial for effective for risk assessment, adaptation planning, and emergency response. However, many countries face challenges with fragmented, inconsistent, and inaccessible data, particularly regarding local-scale events. To address this data gap in Russia, we developed an end-to-end processing pipeline that scrapes news from various online sources, ...
Added: April 28, 2026