Implicit and explicit host effects on excitons in pentacene derivatives

An ab initio study of the effects of implicit and explicit hosts on the excited state properties of pentacene and its nitrogen-based derivatives has been performed using ground state density func- tional theory (DFT), time-dependent DFT and ∆SCF. We observe a significant solvatochromic redshift in the excitation energy of the lowest singlet state (S 1 ) of pentacene from inclusion in a p -terphenyl host compared to vacuum; for an explicit host consisting of six nearest neighbour p -terphenyls, we obtain a redshift of 65 meV while a conductor-like polarisable continuum model (CPCM) yields a 78 meV redshift. Comparison is made between the excitonic properties of pen- tacene and four of its nitrogen-based analogues, 1,8-, 2,9-, 5,12-, and 6,13-diazapentacene with the latter found to be the most distinct due to local distortions in the ground state electronic struc- ture. We observe that a CPCM is insufficient to fully understand the impact of the host due to the presence of a mild charge-transfer (CT) coupling between the chromophore and neighbouring p -terphenyls, a phenomenon which can only be captured using an explicit model. The strength of this CT interaction increases as the nitrogens are brought closer to the central acene ring of pentacene

Radial Internal Material Handling System (RIMS) for Circular Habitat Volumes

On planetary surfaces, pressurized human habitable volumes will require a means to carry equipment around within the volume of the habitat, regardless of the partial gravity (Earth, Moon, Mars, etc.). On the NASA Habitat Demonstration Unit (HDU), a vertical cylindrical volume, it was determined that a variety of heavy items would need to be carried back and forth from deployed locations to the General Maintenance Work Station (GMWS) when in need of repair, and other equipment may need to be carried inside for repairs, such as rover parts and other external equipment. The vertical cylindrical volume of the HDU lent itself to a circular overhead track and hoist system that allows lifting of heavy objects from anywhere in the habitat to any other point in the habitat interior. In addition, the system is able to hand-off lifted items to other material handling systems through the side hatches, such as through an airlock. The overhead system consists of two concentric circle tracks that have a movable beam between them. The beam has a hoist carriage that can move back and forth on the beam. Therefore, the entire system acts like a bridge crane curved around to meet itself in a circle. The novelty of the system is in its configuration, and how it interfaces with the volume of the HDU habitat. Similar to how a bridge crane allows coverage for an entire rectangular volume, the RIMS system covers a circular volume. The RIMS system is the first generation of what may be applied to future planetary surface vertical cylinder habitats on the Moon or on Mars

КРИТЕРІЇ ВІКУ ТА СТАТІ ВЕЛИКОЇ РОГАТОЇ ХУДОБИ МОЛОЧНОГО НАПРЯМУ ПРОДУКТИВНОСТІ ЗА МОРФОЛОГІЧНИМИ ОСОБЛИВОСТЯМИ ЧЕРЕПА

The article is devoted to the study of the morphological features of the skull of dairy cattle depending on the sex in a wide age range (from birth to 10 years) at the different levels ofstructural organization. It has been established that the assessment of the informative quantitative parameters of the skull (craniometric, roentgenodensitometric, spectral) and the formalization of its qualitative characteristics (cranioscopic, roentgenomorpho- logical) allows to determine the age of the cattle comprehensively, objectively and trustworthy on the basis of the reference-test principle. The latter one is the basis for the computer program "Cattle Skull", which automatizes the developed methods of cattle age and sex determination by the skull and eliminates the errors during the processing of the research results, it improves the accuracy and objectivity of the craniological examinations. According to the results of the multifactorial dispersion analysis, to determine the age and sex of the cattle is influence: according to linear craniometric indices - the age of the animals (81-100 %), sex (0-17 %) and random factors (0-6 %); according to the results of IR-spectroscopic research - random factors (49-59 %), age (36-50 %) and sex (1-4 %); by Hounsfield parameter (HU) - age (82-96 %), sex - (1-16 %) and random factors (0-2 %); according to computer tomographic and densitometric indices (CTDI) values - age (5-82 %), sex (2-89 %) and random factors (6-51 %). Osteological technology, in the basis of which there is laid consideration of the integrity of the skull, the quantity and complexity of applied methods of skull research, allows to determine the age of the dairy cattle by the qualitative and quantitative parameters of the skull from birth to the age of 10 years with an accuracy of 2-10 months.Досліджено морфологічні особливості черепа великої рогатої худоби молочного напряму продуктивності залежно від статі в широкому віковому діапазоні (від народження до 10років). Установлено, що оцінювання інформативних кількісних параметрів черепа (краніометричних, рентге- ноденситометричних, спектральних) і формалізація його якісних ознак (краніоскопічних, рентгеноморфологічних) дозволяє всебічно, об’єктивно й достовірно встановити вік великої рогатої худоби на основі обґрунтованого еталонно-тестового принципу. Останній є базою для комп’ютерної програми Skull Cattle, яка автоматизує цей процес, нівелює помилки під час опрацювання результатів досліджень, підвищує точність і об’єктивність краніологічних експертиз

Nanosecond time-resolved characterization of a pentacene-based room-temperature MASER

The United Kingdom Engineering and Physical Sciences Research Council (EPSRC) supported this work through grants EP/K011987/1 and EP/K011804/1 (Room Temperature, Earth’s Field MASER), and M.O.’s Manufacturing Research Fellowship EP/K037390

Integration of information resources of open access to provide the scientific and educational process in the institutions of higher education

Purpose of the study. The purpose of this paper is to analyze the current state and prospects for introducing the principles of open access to scientific publications and scientific data in the sphere of science and education in Belarus. Its relevance is related to the need to develop measures to accelerate the process of digital transformation of science and education of the Republic of Belarus.Materials and methods. Information base of the research was made by publications of scientists and specialists on the issues under study, normative documents, final documents of conferences on this topic, data from the Open Data in Belarus portal, national and international aggregators of institutional repositories, open scientific data repositories.Results. The analysis of the state and prospects of introducing the principles of open access to scientific publications and scientific data into the sphere of science and education of Belarus was carried out during the research. It is shown that the digital transformation of science and education is at an early stage. The dissemination of the principles of open science and the introduction of new instruments of scientific communication in the Belarusian academic and university science are uneven, there is a need to develop a strategy in this direction. The principle of open access to publications is being most actively introduced into practice through the development of a network of university repositories. In Belarus, the open data infrastructure is at the very beginning of its formation. In this regard, there is a need to conduct additional research to identify problems associated with the discovery of scientific data. One step in the transition to open science is the unification of all the repositories on a single platform of the national aggregator. The review of national and international aggregators of institutional repositories is presented. The questions on creation of the national system-aggregator of information resources of open access in the Republic of Belarus in the context of the formation of the Republican information and educational environment are considered: the purpose of the system, the platform used, technical solutions for organizing the integration of information systems of higher education institutions and the rules of interaction of system users.Conclusions. The creation of a national system-aggregator will not only provide a single point of access to the institutional repositories of project participants, which will significantly improve the convenience and completeness of the search, but will also solve one of the most important tasks of the project - popularizing the idea of open access to scientific publications. The implementation of the proposed measures to create conditions for the discovery of scientific data in Belarus will contribute to the introduction of the principle of open access to scientific data. The considered approaches will allow accelerating the process of digital transformation of the scientific and educational sphere of Belarus