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A series of proof-of-concept models with different degrees of hydration in the same donor–acceptor system were obtained through a functional motif-oriented structural design and screening strategy. The effect of water molecules on photoinduced electron transfer was explored from a crystallographic perspective for the first time. The reasons for the structural differences caused by different degrees of hydration were also discussed. [ABSTRACT FROM AUTHOR]

A new design strategy through the synergy of Mo(VI)–Mo(V) intervalence charge transfer and π(radical)–π(radical/cation) interactions is proposed to obtain semiconductors with photoresponsive ranges covering the whole UV–SWIR (ultraviolet–shortwave near-infrared; ca. 250–3000 nm) region. With this strategy, a viologen-based molybdate semiconductor with a UV–SWIR photoresponsive range was obtained through UV/X-ray irradiation or thermal annealing. The thermally annealed semiconductor has the highest conversion and the best photocurrent response in the range of 355–2400 nm. [ABSTRACT FROM AUTHOR]

X-ray crystallography is the major approach for atomic-level protein structure determination. Since not all proteins can be easily crystallized, accurate prediction of protein crystallization propensity is critical to guiding the experimental design and improving the success rate of X-ray crystallography experiments. In this work, we proposed a new deep learning pipeline, GCmapCrys, for multi-stage crystallization propensity prediction through integrating graph attention network with predicted protein contact map. Experimental results on 1548 proteins with known crystallization records demonstrated that GCmapCrys increased the value of Matthew's correlation coefficient by 37.0% in average compared to state-of-the-art protein crystallization propensity predictors. Detailed analyses show that the major advantages of GCmapCrys lie in the efficiency of the graph attention network with predicted contact map, which effectively associates the residue-interaction knowledge with crystallization pattern. Meanwhile, the designed four sequence-based features can be complementary to further enhance crystallization propensity proprediction. [Display omitted] • We used predicted protein contact map as information source of residue-interaction at structure-level. • A graph attention network was used to associate residue-interaction knowledge with crystallization pattern. • We designed four complementary sequence-based feature representations to further enhance prediction accuracy. [ABSTRACT FROM AUTHOR]

Two new crystalline inorganic-organic hybrid compounds, namely, {[Zn(PCV) 0.5 (BDC) 0.5 ]·3H 2 O} n (1) and {[Cd(PCV) 0.5 (BDC) 0.5 (H 2 O)]·3H 2 O} n (2) have been solvothermally synthesized from the 1,4-benzenedicarboxylate (BDC2−) ligand and the viologen analog 1-(4-carboxyphenyl)-4,4′-bipyridinium (PCV). In these two compounds, PCV ligands coordinate with metal atoms to form 1D zigzag chains, and the chains are further bridged by the BDC2− ligands to yield a wave-like layer with a (4, 4) net topology. For 1 , three layers interpenetrate with each other to construct a triple-layer structure, which are stacked along the b direction through van der Waals's force to yield the final 3D structure where the channels along the a direction host the lattice water molecules. In comparison, two layers interpenetrate with each other to construct a double-layer structure, which further interpenetrate to form the final 3D structures where the lattice water molecules locate in channels along a direction. Both compounds showed photochromism accompanied with dramatic decrease of photoluminescence upon irradiation. The powdered sample of 1 can deposit easily on paper by diffusing into ethanol solution, which displays the potential application as an inkless and erasable print medium. We synthesized two new photochromic inorganic-organic hybrid materials which showed the same wave-like layer with a (4, 4) topology. Both compounds showed photochromic phenomenon. However, owing to the different π ... π interactions and densely packing, two compounds exhibit different photochromic properties. Importantly, compound 1 can be used as inkless and erasable printing media. Image 1 • Two novel viologen-based CPs are prepared via the efficient method. • Both compounds showed photochromic phenomena. • Compound 1 can be used as an inkless and erasable print medium. [ABSTRACT FROM AUTHOR]

• Analyzing composite material fractures is more complex than of metallic fractures. • The failure analysis of composite materials presents a vast body of knowledge. • The composite structure and its failure mode influence the fractographic features. • Studying failed composite structures is crucial to aircraft accident analysis. Composite material-based structures have become increasingly common for aircraft construction. While a large number of researches focused on the understanding of composite materials and structures' behavior under a variety of scenarios to determine their performance when being exposed to flight loads, it is also critical to consider how these materials fail and fracture, especially in an aircraft accident. In this study, tension, compression, bend, impact, and fatigue fracture analysis of composite laminates and sandwich structures are reviewed, and the failure modes and characteristics of adhesively and mechanically fastened joints are analyzed. Furthermore, aircraft accidents in which composite materials failed are described to highlight the significance of the understanding of composite materials failure modes and fracture analysis on the overall aircraft accident investigation process. Thus, the presented study has a twofold purpose. To provide an all-encompassing review of current research in the area of composite material failure modes and fracture analysis, as well as presenting exemplary cases of aircraft accidents in which the composite material failure modes and fracture analysis body of knowledge has been practically applied. Three overarching themes were observed during the study. First, the complexity of composite material fracture analysis when compared to metallic material fracture analysis. Second, the relationship and dependency between fractographic features of composite materials and the composite structure itself and the failure mode. Lastly, the study and further investigation of composite material failures are found to be critical for aircraft accident investigations. The results from this review can be applied to identify areas of future development concerning composite material failure modes and fracture analysis, especially with applications to material analysis during aircraft accident investigations. [ABSTRACT FROM AUTHOR]

A novel actinomycete strain, designated XHU 5301, was isolated from a hypersaline habitat, China. The strain was aerobic, Gram-stain positive and the optimum NaCl concentration for growth was 7-9% (w/v). Phylogenetic analysis based on an almost-complete 16S rRNA gene sequence of strain XHU 5301 showed that the organism was most closely related to Glycomyces halotolerans TRM 40137 (96.0%). The whole-cell sugar pattern consisted of glucose and galactose. The predominant menaquinone was MK-10(H), MK-10(H), and MK-9(H). The major fatty acids were anteiso-C, iso-C, iso-C and methyl-C. The polar lipids consist of diphosphatidylglycerol, phosphatidylglycerol, and one unknown phospholipid. The G+C content of the genomic DNA was 72.5 mol %. The novel species Glycomyces xinjiangensis sp. nov. was proposed, with strain XHU 5301 (=CCTCC AA 2016043 =KCTC 39689) as the type strain of Glycomyces xinjiangensis. [ABSTRACT FROM AUTHOR]

The study on the initial activity time and mechanism of Altyn Tagh fault system since Cenozoic is one of hot topics in the northern Tibet Plateau, but is still lack of a reliable chronological constraint. Based on field investigation, the ages of associated quartz vein and gypsum from Altyn Tagh fault system were measured by electron spin resonance (ESR) dating, and the age was taken as the constraint of the latest fault activity; the structural deformation of Altyn Tagh fault system since Middle Miocene was discussed. The results show that Cenozoic large-scale structural deformation of Altyn Tagh fault system starts in Middle Miocene ((12.5 ± 1.3)-(15. 1 ± 1. 5)Ma), followed by multistage activities; time limit of large-scale strike-slip activity for Altyn Tagh main fault at least starts in (15. 1 ± 1. 5) Ma, but lime limit of compression thrust activity for the northern Altyn Tagh fault at least starts in (14. 1 ± 1. 4)Ma; there is a time difference for the activity between Altyn Tagh main fault and the northern Altyn Tagh fault, suggesting that Altyn Tagh fault system extends progressively from the center to both sides; the deep ductile shear leads to strike-slip movement of Altyn Tagh main fault and rapid uplift of neighbouring mountain, and then the deformation propagation cause the tectonic response of thrust activity of the northern Altyn Tagh fault. [ABSTRACT FROM AUTHOR]