Наноалмазные коллективные электронные состояния и их локализация

The collective states despite their importance are rarely used to describe the electron structure of dielectric materials. The nature of the unrelated to impurities unpaired spins found experimentally in the nanodiamond is still under discussion. We propose the explanation of their nature in terms of the collec- tive electron states. Collective states are studied by solving a one-particle one-dimensional Schr¨odinger equation in the Kronig–Penney potential and by ab initio computations of ground state wavefunctions of diamondoids C78H64, C123H100 and C211H140 at the DFT R-B3LYP/6-31G(d,p) level of theory. Three distinct classes were found: collective bonding states resembling modulated particle in a box solutions; surface-localized non-bonding conductive Tamm states and subsurface-localized bonding states for nonuniformly compressed nanodiamond. The existence of the unpaired spins is supposed to result from the spin-density fluctuation effects significant on the nanoscale collective and spread subsurface statesКоллективные электронные состояния, несмотря на их важность, редко используются для описания электронной структуры диэлектриков. Природа не связанных с примесями неспаренных спинов, наблюдаемых экспериментально в наноалмазе, всё ещё обсуждается. Мы предлагаем описание их природы в терминах коллективных электронных состояний. Коллективные состояния исследованы точным решением одночастичного одномерного уравнения Шрёдингера в потенциале Кронига Пенни и первопринципными расчетами волновых функций основных состояний для алмазоидов C78H64, C123H100 и C211H140 методом DFT R-B3LYP/6-31G(d,p). Найдены три различных класса: коллективные связывающие орбитали, соответствующие модулированным решениям для частицы в потенциальной яме; поверхностные несвязывающие проводящие состояния Тамма и подповерхностные связывающие состояния для неоднородно сжатого наноалмаза. Существование неспаренных спинов предположительно объясняется флуктуациями спиновой плотности, значительными для наноразмерных коллективных и протяженных подповерхностных состояний

Modification of Nanocrystalline Porous Cu_2-xSe Films during Argon Plasma Treatment

Cu2-xSe films were deposited on Corning glass substrates by radio frequency (RF) magnetron sputtering and annealed at 300 °C for 20 min under N2 gas ambient. The films had a thickness of 850–870 nm and a chemical composition of Cu1.75Se. The initial structure of the films was nanocrystalline with a complex architecture and pores. The investigated films were plasma treated with RF (13.56 MHz) high-density low-pressure inductively coupled argon plasma. The plasma treatment was conducted at average ion energies of 25 and 200 eV for durations of 30, 60, and 90 s. Notably, changes are evident in the surface morphology, and the chemical composition of the films changed from x = 0.25 to x = 0.10 to x = 0.00, respectively, after plasma treatment at average ion energies of 25 and 200 eV, respectively

Modification of Nanocrystalline Porous Cu2-xSe Films during Argon Plasma Treatment

Cu2-xSe films were deposited on Corning glass substrates by radio frequency (RF) magnetron sputtering and annealed at 300 °C for 20 min under N2 gas ambient. The films had a thickness of 850–870 nm and a chemical composition of Cu1.75Se. The initial structure of the films was nanocrystalline with a complex architecture and pores. The investigated films were plasma treated with RF (13.56 MHz) high-density low-pressure inductively coupled argon plasma. The plasma treatment was conducted at average ion energies of 25 and 200 eV for durations of 30, 60, and 90 s. Notably, changes are evident in the surface morphology, and the chemical composition of the films changed from x = 0.25 to x = 0.10 to x = 0.00, respectively, after plasma treatment at average ion energies of 25 and 200 eV, respectively

Наноалмазные коллективные электронные состояния и их локализация

The collective states despite their importance are rarely used to describe the electron structure of dielectric materials. The nature of the unrelated to impurities unpaired spins found experimentally in the nanodiamond is still under discussion. We propose the explanation of their nature in terms of the collec- tive electron states. Collective states are studied by solving a one-particle one-dimensional Schr¨odinger equation in the Kronig–Penney potential and by ab initio computations of ground state wavefunctions of diamondoids C78H64, C123H100 and C211H140 at the DFT R-B3LYP/6-31G(d,p) level of theory. Three distinct classes were found: collective bonding states resembling modulated particle in a box solutions; surface-localized non-bonding conductive Tamm states and subsurface-localized bonding states for nonuniformly compressed nanodiamond. The existence of the unpaired spins is supposed to result from the spin-density fluctuation effects significant on the nanoscale collective and spread subsurface statesКоллективные электронные состояния, несмотря на их важность, редко используются для описания электронной структуры диэлектриков. Природа не связанных с примесями неспаренных спинов, наблюдаемых экспериментально в наноалмазе, всё ещё обсуждается. Мы предлагаем описание их природы в терминах коллективных электронных состояний. Коллективные состояния исследованы точным решением одночастичного одномерного уравнения Шрёдингера в потенциале Кронига Пенни и первопринципными расчетами волновых функций основных состояний для алмазоидов C78H64, C123H100 и C211H140 методом DFT R-B3LYP/6-31G(d,p). Найдены три различных класса: коллективные связывающие орбитали, соответствующие модулированным решениям для частицы в потенциальной яме; поверхностные несвязывающие проводящие состояния Тамма и подповерхностные связывающие состояния для неоднородно сжатого наноалмаза. Существование неспаренных спинов предположительно объясняется флуктуациями спиновой плотности, значительными для наноразмерных коллективных и протяженных подповерхностных состояний

Cerebrovascular and Neuroprotective Effects of Adamantane Derivative

Objectives. The influence of 5-hydroxyadamantane-2-on was studied on the rats’ brain blood flow and on morphological state of brain tissue under the condition of brain ischemia. The interaction of the substance with NMDA receptors was also studied. Methods. Study has been implemented using the methods of local blood flow registration by laser flowmeter, [3H]-MK-801binding, and morphological examination of the brain tissue. We used the models of global transient ischemia of the brain, occlusion of middle cerebral artery, and hypergravity ischemia of the brain. Results. Unlike memantine, antagonist of glutamatergic receptors, the 5-hydroxyadamantane-2-on does not block NMDA receptors but enhances the cerebral blood flow of rats with brain ischemia. This effect is eliminated by bicuculline. Under conditions of permanent occlusion of middle cerebral artery, 5-hydroxyadamantane-2-on has recovered compensatory regeneration in neural cells, axons, and glial cells, and the number of microcirculatory vessels was increased. 5-Hydroxyadamantane-2-on was increasing the survival rate of animals with hypergravity ischemia. Conclusions. 5-Hydroxyadamantane-2-on, an adamantane derivative, which is not NMDA receptors antagonist, demonstrates significant cerebrovascular and neuroprotective activity in conditions of brain ischemia. Presumably, the GABA-ergic system of brain vessels is involved in mechanisms of cerebrovascular and neuroprotective activity of 5-hydroxyadamantane-2-on

Forest tree genomics: 10 achievements from the past 10 years and future prospects

This review highlights some of the discoveries and applications made possible by “omics” technologies over the last 10 years and provides perspectives for pioneering research to increase our understanding of tree biology.ContextA decade after the first forest tree genome sequence was released into the public domain, the rapidly evolving genomics and bioinformatics toolbox has advanced our understanding of the structure, functioning, and evolution of forest tree genomes.Aims and methodsThis review highlights some of the discoveries and applications that “omics” technologies have made possible for forest trees over the past 10 years.ResultsIn this review, we start by our current understanding of genome evolution and intricacies of gene regulation for reproduction, development, and responses to biotic and abiotic stresses. We then skim over advances in interactome analysis and epigenomics, the knowledge of the extent of genetic variation within and between species, revealing micro- and macro-evolutionary processes and species history, together with the complex architecture of quantitative traits. We finally end with applications in genetic resource conservation and breeding.ConclusionThe knowledge gained through the use of these technologies has a huge potential impact for adapting forests to the main challenges they will have to face: changing demand from ecosystem services with potentially conflicting strategies in terms of conservation and use, as well as climate changes and associated threats. Genomics will undoubtedly play a major role over the next decade and beyond, not only to further understand the mechanisms underlying adaptation and evolution but also to develop and implement innovative management and policy actions to preserve the adaptability of natural forests and intensively managed plantations