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Carbamazepine solubility in supercritical CO2: a comprehensive study
Journal of Molecular Liquids. 2020. Vol. 311. Article 113104.
Kalikin N., Kurskaya M. V., Ivlev D. V., Krestyaninov M. A., Oparin R. D., Kolesnikov A. L., Budkov Y., Idrissi A., Kiselev M. G.
In this paper we present our study of carbamazepine solubility in supercritical carbon dioxide. We have calculated the solubility values along two isochores corresponding to the CO2 densities ρ = 1.1ρcr(CO2) and ρ = 1.3ρcr(CO2), where ρcr(CO2) is the critical density of CO2, in the temperature range from 313 to 383 K, as well as along three isotherms at T = 318, 328 and 348 K by an approach based on the classical density functional theory. The solubility values were also obtained using in situ IR spectroscopy and molecular dynamics simulations along the mentioned isochores and isotherms, respectively. Because the density functional theory only takes into account the Lennard-Jones interactions, it can be expected to underestimate the solubility values when compared to the experimental ones. However, we have shown that the data calculated within the classical density functional theory qualitatively reproduce the solubility trends obtained by IR spectroscopy and molecular dynamics simulation. Moreover, the obtained position of the upper crossover pressure is in good agreement with the experimental literature results
Language:
English
Devyatov R. A., Mathematical notes 2026 Vol. 119 No. 3 P. 782–786
Let G/B be a flag variety over ℂ, where G is a simple algebraic group with a simply laced Dynkin diagram, and B is a Borel subgroup. We say that the product of classes of Schubert divisors in the Chow ring is multiplicity free if it is possible to multiply it by a Schubert class ...
Added: August 30, 2026
Bayer A., Kuznetsov A., Macrì E., Journal fuer die reine und angewandte Mathematik 2026 Vol. 2026 No. 836 P. 111–162
We give a self-contained and simplified proof of Mukai’s classification of prime Fano threefolds of index 1 and genus g ≥ 6 with at most factorial terminal singularities, and of its extension to higher dimension. ...
Added: August 30, 2026
Bayer A., Kuznetsov A., Macrì E., Compositio Mathematica 2026 Vol. 162 No. 1 P. 59–99
We give a proof of Mukai’s theorem on the existence of certain exceptional vector bundles on prime Fano threefolds. To our knowledge this is the first complete proof in the literature. The result is essential for Mukai’s biregular classification of prime Fano threefolds, and for the existence of semiorthogonal decompositions in their derived categories. Our ...
Added: August 30, 2026
Guseva L., Novikov A., Advances in Mathematics 2026 Vol. 503 Article 111211
We prove that the Kuznetsov–Polishchuk exceptional collections on rational homogeneous spaces of the symplectic groups Sp(2n,C) are full and consist of vector bundles. To achieve this, we construct several classes of complexes, which we call generalized staircase complexes, symplectic staircase complexes and secondary staircase complexes — each of which may be of independent interest. ...
Added: August 30, 2026
Polishchuk A., Rains E., Journal of the Institute of Mathematics of Jussieu 2026 Vol. 25 No. 1 P. 339–373
We prove that for every relatively prime pair of integers (d,r) with r>0, there exists an exceptional pair (O,V) on any del Pezzo surface of degree 4, such that V is a bundle of rank r and degree d. As an application, we prove that every Feigin-Odesskii Poisson bracket on a projective space can be ...
Added: August 30, 2026
Kazhdan D., Polishchuk A., Pure and Applied Mathematics Quarterly 2026 Vol. 22 No. 3 P. 1115–1166
We continue the study of automorphic functions associated with a curve C over the ring k[ε]/(ε²), where k is a finite field, begun in arXiv:2303.16259. Namely, we study an example of theta-lifting in this framework and show that it can be understood in terms of the orbit decomposition of the space of automorphic functions S(SL₂(F)\SL₂(A_C)) ...
Added: August 30, 2026
Kobtsev Danil, Albert J., Nitzan M. et al., Applied Sciences (Switzerland) 2026 Vol. 16 No. 17 Article 8577
AIVBVI semiconductors, particularly lead chalcogenides, remain key materials for mid-wave infrared (MWIR) photodetection due to their narrow bandgap and exceptional carrier transport properties. However, the realization of high-quality p-type PbTe thin films, suitable for p–n junction devices, remains a technological challenge. In this work, we report the fabrication of high-mobility p-type PbTe thin films grown on ...
Added: August 30, 2026
Kuznetsov A. P., Sataev I. R., Stankevich N., Chaos 2026 Vol. 36 No. 8 Article 083131
A radio-physical system, namely, a two-mode van der Pol generator, is considered. It is shown that this system demonstrates two types of chaos: with one and two zero Lyapunov exponents. The regions of the second type of chaos are surrounded by bifurcation lines of invariant tori doubling. Quasi-periodic structures of various shapes are embedded within ...
Added: August 30, 2026
Shirokov N. A., Rozenblum G., Israel Journal of Mathematics 2026 P. 1–30
We establish that a generalized H\¨older continuous function on an (m−2)-Ahlfors regular compact set in Rm can be approximated by solutions of an elliptic equation, with the rate of approximation determined by the continuity modulus of the function ...
Added: August 29, 2026
Воронеж: Издательский дом ВГУ, 2026.
В сборник вошли материалы XXXII Международной научно-технической конференции «Радиолокация, навигация, связь» (RLNC*2026), прошедшие ре цензирование членами программного комитета конференции. Основной целью конференции является организация взаимодействия научных и научно технических коллективов для обмена опытом и новыми творческими успехами. Достижение этой цели также способствует внедрению перспективных разрабо ток, имеющих практическое значение для дальнейшего развития промышленно сти, экономики ...
Added: August 29, 2026
Avdoshin S.M., Patrushev K. A., Proceedings of the Institute for System Programming of the RAS 2026 No. 4 часть 2 P. 245–256
The cardinality-constrained Markowitz problem is NP-hard and traditionally solved with commercial MIQP solvers. Following the 2022 export restrictions that rendered both commercial MIQP software and cloud quantum platforms (IBM Quantum, D-Wave Leap) inaccessible from the Russian Federation, practitioners require open-source alternatives. This paper systematically compares three solver families for the discrete mean-variance problem: two open-source ...
Added: August 27, 2026
Zaikin A., Vlasenko D., Zakharov D. et al., Diagnostics 2026 Vol. 16 No. 17 P. 1–15
Background/Objectives: Synolitic graphs (SGs) were developed for task-based fMRI, where
edge weights encode the discriminative power of pairwise regional features; whether similar
information can be recovered from resting-state data was untested. We benchmarked
SGs for autism spectrum disorder (ASD) classification using the multisite ABIDE-I dataset
(871 subjects: 403 subjects with ASD, 468 typical controls; 17 sites; CC200 atlas). Methods:
Using ...
Added: August 27, 2026
Melnikov I., Pelinovsky E., Nonlinear Dynamics 2026 No. 114 Article 934
Pyramidal solitons (solitons with more than two inflection points) of the generalized Korteweg–de Vries (KdV) equation are investigated. Necessary and sufficient conditions for the existence of such structures are presented. Within the framework of the generalized Gardner equation — the simplest model that admits pyramidal solitons as solutions — it is shown that these solutions ...
Added: August 27, 2026
Zhukov A., Kryzhanovskaya N., Moiseev E. et al., Nature 2026 Vol. 656 P. 80–85
Reaching lasing in electrically pumped microdevices based on solution-processed
semiconductors poses a substantial scientific and technological challenge. Halide
perovskites offer a promising platform for electrical injection1, as their optically
excited single-crystal cavities2–4 and predesigned5,6 or postprocessed microstructures7,8
have exhibited low lasing threshold. Indirect electrical pumping of a dual-cavity
perovskite laser was recently obtained9, using a well-established technological
concept of embedding a ...
Added: August 27, 2026
Тула: Тульский государственный педагогический университет им. Л.Н. Толстого, 2025.
Сборник содержит материалы, представленные на XXIV Международной конференции «Алгебра, теория чисел, дискретная геометрия и многомасштабное моделирование: современные проблемы, приложения и проблемы истории», посвящённой 110-летию со дня рождения академика Юрия Владимировича Линника и 110-летию со дня рождения профессора Андрея Борисовича Шидловского и 80-летию со дня рождения профессора Геннадия Ивановича Архипова. Материалы конференции будут полезны научным работникам, ...
Added: August 27, 2026
Nesterenko A., Чирский В. Г., Матвеев В. Ю., Чебышевский сборник 2026 Т. 27 № 2 С. 118–127
The article presents the results of a practical study of the statistical properties of some sequences that are values of functions of a special type. ...
Added: August 26, 2026
Belousov Y., Кискин М. А., Sidoruk A. et al., Australian Journal of Chemistry 2022 Vol. 75 No. 9 P. 572–580
Four new complexes [Ln(pfaa)3(H2O)2]n (Ln = Eu (1), Tb (2)) and [Ln2Cd2(pfaa)10 (phen)2(EtOH)2]·2MeCN (Ln = Eu (3), Tb (4), phen = 1,10-phenanthroline) based on pentaphorphenylacetic acid (Hpfaa) have been prepared and completely investigated. The structures of compounds 1 and 3 were studied by single crystal X-ray diffraction analysis: the isostructural complexes 1 and 2 represent ...
Added: August 26, 2026
Eduard Sopin, Nazarin A., Begishev V. et al., IEEE Transactions on Vehicular Technology 2026 Vol. 75 No. 6 P. 10995–11007
Aimed at rate-greedy applications having extreme requirements for the data rate at the air interface, 5G New Radio (NR) systems may experience problems when the number of user equipment (UE) in the coverage of the cell increases due to limited capacity of the physical downlink control channel (PDCCH).The aim of this study is to explore ...
Added: August 26, 2026
Loubenets E. R., / Series arxiv.org "quant-ph". 2026. No. 2607.18050.
In many quantum applications it is important to know whether or not a Bell nonlocal two-qudit state exhibits its nonlocality under correlation scenarios with some given numbers S1,S2≥1 of generalized quantum measurements at two sites. In the present article, we find analytically a new general locality condition sufficient for a nonseparable Werner state with a ...
Added: July 21, 2026
Bolbachan V., / Series math "arxiv.org". 2024.
Chow polylogarithms are some special functions arising in explicit description of the Beilinson regulator map. The most interesting functional equation for this function reflects its vanishing on the boundary in the Bloch's cycle complex. We show that this functional equation formally follows from more simple ones, namely skew-symmetry, functoriality and multiplicativity.
To prove this, we study ...
Added: July 16, 2026
Bolbachan V., / Series math "arxiv.org". 2024.
Let K be a field of characteristic zero. We prove that its motivic cohomology in degree m−1 and weight m is rationally isomorphic to the cohomology of the polylogarithmic complex. This gives a partial extension of A. Suslin theorem describing the indecomposable K3 of a field. ...
Added: July 16, 2026
Panov V., Ryabchenko A., / Series arXiv "stat.ME". 2026. No. 2607.05048.
This paper investigates the problem of statistical inference for a mixture distribution consisting of a discrete and a continuous component, with a particular focus on the class of rational-infinitely divisible distributions. We consider non-parametric estimation of both components of the mixture as well as the quasi-L{é}vy measure, assuming that the mixture belongs to the class ...
Added: July 9, 2026
Konakov V., Kucher D., Mammen E., / Series arXiv "math". 2026. No. 2606.11142v1.
In this paper, we construct strong approximations for discrete-time Markov chains weakly converging to continuous diffusion processes, as well as for their perturbed counterparts. Under the assumption of bounded coefficients, we construct closely coupled versions of these processes on a shared probability space. In particular, for both non-degenerate and degenerate cases, we maximize the probability ...
Added: June 11, 2026
Malikov D., Krasnov L., Kiseleva M. et al., Scientific data 2026 Vol. 13 Article 727
Solubility is a crucial property of organic compounds, impacting their potential applications in synthetic chemistry, materials science and drug design. Moreover, in technological processes mixtures of solvents are often utilized, making the solubility assessment more complicated. Predicting solubility values in mixtures of solvents from a molecular structure can help to address this issue, although a ...
Added: May 19, 2026