A particular emphasis is given on the structural role and molecular mechanistic pathway involved in modulating the aggregation pathway to further inspire the researchers and shed light in this bright research field.Bulk nanopolycrystalline diamond (NPD) samples were deformed plastically within the diamond stability field up to 14 GPa and above 1473 K. Macroscopic differential stress Δσ was determined on the basis of the distortion of the 111 Debye ring using synchrotron X-ray diffraction. Up to ∼5(2)% strain, Debye ring distortion can be satisfactorily described by lattice strain theories as an ellipse. Beyond ∼5(2)% strain, lattice spacing d111 along the Δσ direction becomes saturated and remains constant with further deformation. Transmission electron microscopy on as-synthesized NPD shows well-bonded grain boundaries with no free dislocations within the grains. Deformed samples also contain very few free dislocations, while density of 111 twins increases with plastic strain. Individual grains display complex contrast, exhibiting increasing misorientation with deformation according electron diffraction. Thus, NPD does not deform by dislocation slip, which is the dominated mechanism in conventional polycrystalline diamond composites (PCDCs, grain size >1 μm). The nonelliptical Debye ring distortion is modeled by nucleating 12⟨110⟩ dislocations or their dissociated 16⟨112⟩ partials gliding in the 111 planes to produce deformation twinning. With increasing strain up to ∼5(2)%, strength increases rapidly to ∼20(1) GPa, where d111 reaches saturation. Strength beyond the saturation shows a weak dependence on strain, reaching ∼22(1) GPa at >10% strain. Overall, the strength is ∼2-3 times that of conventional PCDCs. Combined with molecular dynamics simulations and lattice rotation theory, we conclude that the rapid rise of strength with strain is due to defect-source strengthening, whereas further deformation is dominated by nanotwinning and lattice rotation.Extremely high temperature in a chip will severely affect the normal operation of electronic equipment; however, the traditional air conditioning cooling technology is unsuitable for integrated circuit cooling. It is necessary to develop convenient and high-efficiency cooling techniques. In this paper, PbHfO3 antiferroelectric (PHO AFE) film was fabricated by a sol-gel method and was first found to be a promising electrocaloric (EC) material with high temperature change (ΔT ∼ -7.7 K) and acceptable EC strength (|ΔT/ΔE| ∼ 0.023 K cm kV-1) at room temperature. In addition to the negative EC effect (ECE), a large positive ECE can be observed at high temperature. The outstanding ECEs and their combination will make the PHO film one of the potential candidates for next-generation solid-state refrigeration. To understand the underlying physical mechanism for positive and negative ECEs in the PHO AFE film, a modified Ginzburg-Landau-Devonshire free-energy theory is adopted.Surface modification on the inner wall of medical or industrial polymeric catheters with a high length/diameter ratio is highly desired. Herein, a universal and facile method based on an amphiphilic copolymer was developed to immobilize an intraductal surface antifouling coating for a variety of polymeric catheters. A fouling-repelled thin layer was formed by swelling-driven adsorption via directly perfusing an amphiphilic copolymer [polyvinylpyrrolidone-polydimethylsiloxane-polyvinylpyrrolidone (PVP-PDMS-PVP)] solution into catheters. In this copolymer, hydrophobic PDMS was embedded into a shrinking cross-linked network of catheters; also, PVP segments migrated to the surface under driving water to form a hydrophilic antifouling coating. Moreover, because of the coordination between I2 and pyrrolidone of PVP, the copolymer-modified intraductal surface was then infused with aqueous I2 to form the PVP-I2 complex, endowing this coating with bactericidal activity. Notably, diverse catheters with arbitrary shapes (circular, rectangular, triangular, and hexagonal) and different components (silicone, polyurethane, and polyethylene) were also verified to work using this interfacial interpenetration strategy. The findings in this work provide a new avenue toward facile and universal fabrication of intraductal surface antifouling catheters, creating a superior option for decreasing the consumable costs in industrial production and alleviating the pain of replacing catheters for patients.The enantioselective aminocatalytic α-chlorination of aldehydes is a challenging reaction because of its tendency to proceed through neutral intermediates in unselective pathways. Herein we report the rational shift to a highly selective reaction pathway involving charged intermediates using hexafluoroisopropanol as solvent. This change in mechanism has enabled us to match and improve upon the yields and enantioselectivities displayed by previous methods while using cheaper aminocatalysts and chlorinating agents, 80-95% less amount of catalyst, convenient temperatures, and shorter reaction times.Besides tropomyosin (TM) that is widely recognized as a major allergen in molluscs, a 99-kDa novel allergen (Rap v 2) was recently found in the sea snail Rapana venosa and identified as paramyosin (PM). However, the allergenic epitopes of PM in any molluscs have not been identified yet. In the present study, seven allergenic epitopes of Rap v 2 were identified by immunoinformatics tools, dot-blot inhibition assay, and basophil degranulation assay. Based on the analysis of PM and allergenic epitope amino acids, it was found that highly hydrophobic and positively charged amino acid residues play an important role in the formation of Rap v 2 epitopes. In addition, three potential critical amino acids that may account for TM and PM cross-reactivity in molluscs were found by sequence- and structure-based methods. These findings could be of major importance for improving the understanding of relevant paramyosin epitopes and the prevention and therapy of mollusc allergy.Polychlorinated naphthalenes (PCNs) are carcinogenic contaminants. Residues from historical production and ongoing unintentional releases from industrial thermal sources have led to the ubiquitous presence of PCNs in the environment. Our previous study has revealed that unintentional releases may be the main sources of PCNs in human milk from China. However, an assessment of PCN burden in human milk and exposure differences between historical residues and unintentional release exposure has not been conducted. In this study, we performed the first comparison of human exposure to PCNs and evaluated the differences between the estimated health risks from historical residues and unintentional releases. Three characteristic PCN congener patterns found in Chinese human milk specimens collected from 100 cities/counties can be considered characteristic of PCN exposures in regions with unintentional industrial releases as the main PCN sources. The health risk assessment suggested potential noncarcinogenic health effects in infants aged 0-6 months. The hazard index calculated for infants in Sweden indicates a strong impact of historical residues that nonetheless decreases over time, and a comparison of the hazard indices calculated for China and Ireland suggests that ongoing unintentional formation and release of PCNs from industrial processes should be a matter of public health concern.Zero valent iron (ZVI) applications to remediation of shallow groundwaters can be affected by dissolved oxygen (DO) and organic ligands. To explore the intersection between these complicating factors, this study thoroughly characterized the reactions of nitrobenzene (NB) with ZVI in the presence DO and the model ligand ethylene diamine tetraacetic acid (EDTA). The results showed that NB is degraded by both ZVI reduction and ZVI-induced advanced oxidation under oxygen-limited conditions. The contribution of ·OH to the degradation of NB increased with time so that nearly 39% of NB was oxidized by ·OH at 15 min (pH = 3), but reduction was still the main pathway of NB transformation throughout. NB reduction products, such as aniline (AN), were also oxidized by ·OH. The lower the pH, the greater the contribution of advanced oxidation, but DO was the limiting factor for ·OH generation. Only 4.7% NB was fully degraded by ring opening and/or mineralization because the production of •OH was limited by low DO. After the transformation of NB and AN, other benzene ring and nitrogen-containing intermediates were identified (e.g., p-nitrophenol, p-aminophenol, hydroquinone, and p-benzoquinone). The removal of total organic carbon and total organic nitrogen was minimal. The results suggested that the relative doses of ZVI, DO, and iron-complexing ligands can be balanced for the optimal (rapid and deep) removal of organic contaminants.Defect aggregates in doped ceria play a crucial role in blocking the movement of oxygen vacancies and hence in reducing ionic conductivity. Nevertheless, evaluation of their amount and the correlation between domain size and transport properties is still an open issue. Data derived from a high-pressure X-ray diffraction investigation performed on the Ce1-x(Nd0.74Tm0.26)xO2-x/2 system are employed to develop a novel approach aimed at evaluating the defect aggregate content; the results are critically discussed in comparison to the ones previously obtained from Sm- and Lu-doped ceria. Defect clusters are present even at the lowest considered x value, and their content increases with increasing x and decreasing rare earth ion (RE3+) size; their amount, distribution, and spatial correlation can be interpreted as a complex interplay between the defects’ binding energy, nucleation rate, and growth rate. The synoptic analysis of data derived from all of the considered systems also suggests that the detection limit of the defects by X-ray diffraction is correlated to the defect size rather than to their amount, and that the vacancies’ flow through the lattice is hindered by defects irrespective of their size and association degree.Prolyl-tRNA synthetase (PRS) is a clinically validated antimalarial target. Screening of a set of PRS ATP-site binders, initially designed for human indications, led to identification of 1-(pyridin-4-yl)pyrrolidin-2-one derivatives representing a novel antimalarial scaffold. Evidence designates cytoplasmic PRS as the drug target. The frontrunner 1 and its active enantiomer 1-S exhibited low-double-digit nanomolar activity against resistant Plasmodium falciparum (Pf) laboratory strains and development of liver schizonts. No cross-resistance with strains resistant to other known antimalarials was noted. In addition, a similar level of growth inhibition was observed against clinical field isolates of Pf and P. vivax. The slow killing profile and the relative high propensity to develop resistance in vitro (minimum inoculum resistance of 8 × 105 parasites at a selection pressure of 3 × IC50) constitute unfavorable features for treatment of malaria. However, potent blood stage and antischizontal activity are compelling for causal prophylaxis which does not require fast onset of action. Achieving sufficient on-target selectivity appears to be particularly challenging and should be the primary focus during the next steps of optimization of this chemical series. Encouraging preliminary off-target profile and oral efficacy in a humanized murine model of Pf malaria allowed us to conclude that 1-(pyridin-4-yl)pyrrolidin-2-one derivatives represent a promising starting point for the identification of novel antimalarial prophylactic agents that selectively target Plasmodium PRS.