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This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange-correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear-electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an "open teamware" model and an increasingly modular design.

Most DNA in the genomes of higher organisms does not encode proteins, yet much is transcribed by RNA polymerase II (RNAPII) into long non-coding RNAs (lncRNAs). The biological significance of most lncRNAs is largely unclear. Here, we identify a lncRNA (SVALKA) in a cold-sensitive region of the Arabidopsis genome. Mutations in SVALKA affect CBF1 expression and freezing tolerance. RNAPII read-through transcription of SVALKA results in a cryptic lncRNA overlapping CBF1 on the antisense strand, termed asCBF1. Our molecular dissection reveals that CBF1 is suppressed by RNAPII collision stemming from the SVALKA-asCBF1 lncRNA cascade. The SVALKA-asCBF1 cascade provides a mechanism to tightly control CBF1 expression and timing that could be exploited to maximize freezing tolerance with mitigated fitness costs. Our results provide a compelling example of local gene regulation by lncRNA transcription having a profound impact on the ability of plants to appropriately acclimate to challenging environmental conditions.

Supplementary methods. Primer trimming during NGS data pre-processing. (DOCX 18Â kb)

To sinter neodymium doped yttrium oxide (NDY) singe crystal several successive technologies: laser synthesis of NDY nanopowder, pulsed magnetic compacting of the powder and two stage vacuum sintering were used. With the help of abnormal grain growth samples of NDY single crystal were produced. Conditions that are necessary for abnormal grain growth in yttrium oxide as well to grow the optical grade single crystal are discussed.

The article presents the methodology of environmental assessment of the state of a river basin based on the landscape approach using geoinformation systems. This study implements the landscape approach to evaluation, when types of terrain, i.e. the natural geographical systems, act as the spatial-operational units, which ensures the objectivity of the obtained results. The main land use categories are used as the factor of anthropogenic pressures. With this purpose, a spatial database of the functional use of the studied territory, based on the results of a satellite image analysis, was created.