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Cyclotides are plant cyclic peptides with exceptional stability and diverse bioactivity, making them promising candidates for biomedical applications. Therefore, the study of cyclotides has attracted increasing attention in recent years. However, the existing cyclotide detection methods face limitations in sensitivity, accuracy, and reliability. To address these challenges, we developed an integrated strategy using a combination of strong cation exchange chromatography techniques for removing interfering small molecules, Orbitrap Exploris 480 mass spectrometry (OEMS); this is a detection and database searching-based method for cyclotide verification, which greatly improved the sensitivity, accuracy, and reliability of cyclotide identification. This strategy was subsequently employed for cyclotide mapping in Viola with a minute amount of starting tissue, resulting the identification of 65 known and 18 potentially novel cyclotides, which is the largest dataset of cyclotides for Viola philippica. This strategy provided valuable insights into the cyclotide diversity and distribution in V. philippica, with potential applications in drug discovery and other biomedical fields. [ABSTRACT FROM AUTHOR]

Purpose: While performance demands in the natural world are varied, graded lattice structures reveal distinctive mechanical properties with tremendous engineering application potential. For biomechanical functions where mechanical qualities are required from supporting under external loading and permeability is crucial which affects bone tissue engineering, the geometric design in lattice structure for bone scaffolds in loading-bearing applications is necessary. However, when tweaking structural traits, these two factors frequently clash. For graded lattice structures, this study aims to develop a design-optimization strategy to attain improved attributes across different domains. Design/methodology/approach: To handle diverse stress states, parametric modeling is used to produce strut-based lattice structures with spatially varied densities. The tailored initial gradients in lattice structure are subject to automatic property evaluation procedure that hinges on finite element method and computational fluid dynamics simulations. The geometric parameters of lattice structures with numerous objectives are then optimized using an iterative optimization process based on a non-dominated genetic algorithm. Findings: The initial stress-based design of graded lattice structure with spatially variable densities is generated based on the stress conditions. The results from subsequent dual-objective optimization show a series of topologies with gradually improved trade-offs between mechanical properties and permeability. Originality/value: In this study, a novel structural design-optimization methodology is proposed for mathematically optimizing strut-based graded lattice structures to achieve enhanced performance in multiple domains. [ABSTRACT FROM AUTHOR]

Lean cemented sand and gravel (LCSG) materials are subjected to unloading-loading when an LCSG dam is opened for water drainage and then refilled or a roadbed base is subjected to repeated wheel loads. To investigate the behavior of the LCSG materials under loading-unloading, previous studies utilized the complete loading triaxial test. In contrast, in this study, the consolidated drained triaxial tests in the unloading and reloading paths for materials with cementing agent contents of 60 and 100 kg/m3 under different confining pressures, for which each curve generates three loading-unloading cycles, were applied to investigate the unloading and reloading mechanical behavior. Experimental results indicated that the unloading and reloading behavior of the LCSG materials produced stress-strain curves exhibiting a crescent-shaped hysteresis loop, which differs from that exhibited by coarse-grained soil. Although the shape of the crescent-like hysteresis loop was preserved as stress levels increasing, it gradually expanded. Compared with that of the typical triaxial test, the cohesive force and the increasing internal friction angle increased. Further, as the confining pressure increased, the crescent-like hysteresis loops tapered, shear strength increased linearly, and the modulus of resilience increased nonlinearly; the latter’s rate of change, however, decreased. The change in volumetric strain was small during unloading as the stress level changed.

Many BF2 complexes of heteroaromatics are well known for their dual-state emission (DSE) properties. However, AIE and ACQ effects have also been observed in certain cases. To date, no rational explanations have been proposed for these uncommon photoluminescence (PL) behaviours. The current research prepared four BF2 complexes of N-benzoyl 2-aminobenzothiazoles with diversified photoluminescence (PL) properties as model compounds and utilized quantum chemical calculation tools to address this issue. Theoretical calculations revealed that the electron-donating groups (EDGs) at the para-position of the exocyclic phenyl ring exert significant influence on their ground-state electronic structures and vertical excitation features. Potential energy curve (PEC) analysis showed that the exocyclic phenyl ring and NMe2 could not function as effective rotors due to elevated energy barriers. Only the NPh2 of BFBB-3 could spontaneously rotate ∼60° to induce the formation of an emissive twisted intramolecular charge transfer (TICT) state. The two-channel model involving both vibronic relaxation and S0/S1 surface crossing revealed that the drastic narrowing of the S1/S0 energy gap in the region approaching minimun energy conical intersection (MECI) led to the generation of a dark state in BFBB-1. The small energy barrier to access the dark-state region makes the resulting fast internal conversion a competitive channel for excited-state deactivation. In contrast, the presence of EDGs in BFBB-2 and 4 inhibits this pathway, thereby resulting in intense fluorescence emissions in solution. In addition, crystallographic analysis illustrated that the F atoms perpendicular to the polyheterocycle promoted a slipped face-to-face packing mode and enhanced intermolecular interactions. The efficiencies of their solid-state emissions are mainly affected by the degree of π–π overlaps. [ABSTRACT FROM AUTHOR]