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An interactive web-based portal has been developed for an overall landscape of protein expression across the studied tissues of Labeo rohita (www.fishprot.org). This draft proteome map of Labeo rohita would advance basic and applied research in aquaculture to meet the most critical challenge of providing food and nutritional security to an increasing world population.A bullet-shaped nanopore surface modified by two polyelectrolyte (PE) layers, an inner polyethyleneimine (PEI) layer and an outer p-sulfonatocalix[4]-arene (SCX4) layer, is applied to sense trace levels of acetylcholine (Ach) molecules. We show that the higher the order of the association reaction of Ach with SCX4, the smaller the difference between the ionic current when Ach is present and that when it is absent, and so is the difference in the space charge density. In addition, the larger the binding constant K of that reaction, the lower the detection limit but narrower the detection range. Choosing pH 7 is most appropriate because if the pH is low, the concentration polarization of H+ is significant, and as it gets high, both PE layers become uncharged. At pH 7 and K = 2 × 107 L/mol, the detection limit of the nanopore ranges from 1 to 10 nM, which is orders of magnitude lower than that of the other approaches.Structurally precision graphene nanoribbons (GNRs) are promising candidates for next-generation nanoelectronics due to their intriguing and tunable electronic structures. GNRs with hybrid edge structures often confer them unique geometries associated with exotic physicochemical properties. Herein, a novel type of cove-edged GNRs with periodic short zigzag-edge segments is demonstrated. The bandgap of this GNR family can be tuned using an interplay between the length of the zigzag segments and the distance of two adjacent cove units along the opposite edges, which can be converted from semiconducting to nearly metallic. A family member with periodic cove-zigzag edges based on N = 6 zigzag-edged GNR, namely 6-CZGNR-(2,1), is successfully synthesized in solution through the Scholl reaction of a unique snakelike polymer precursor (10) that is achieved by the Yamamoto coupling of a structurally flexible S-shaped phenanthrene-based monomer (1). The efficiency of cyclodehydrogenation of polymer 10 toward 6-CZGNR-(2,1) is validated by FT-IR, Raman, and UV-vis spectroscopies, as well as by the study of two representative model compounds (2 and 3). Remarkably, the resultant 6-CZGNR-(2,1) exhibits an extended and broad absorption in the near-infrared region with a record narrow optical bandgap of 0.99 eV among the reported solution-synthesized GNRs. Moreover, 6-CZGNR-(2,1) exhibits a high macroscopic carrier mobility of ∼20 cm2 V-1 s-1 determined by terahertz spectroscopy, primarily due to the intrinsically small effective mass (m*e = m*h = 0.17 m0), rendering this GNR a promising candidate for nanoelectronics.Understanding the mechanisms governing temperature-dependent magnetic resonance properties is essential for enabling thermometry via magnetic resonance imaging. Herein we harness a new molecular design strategy for thermometry─that of effective mass engineering via deuteration in the first coordination shell─to reveal the mechanistic origin of 59Co chemical shift thermometry. Exposure of [Co(en)3]3+ (1; en = ethylenediamine) and [Co(diNOsar)]3+ (2; diNOsar = dinitrosarcophagine) to mixtures of H2O and D2O produces distributions of [Co(en)3]3+-dn (n = 0-12) and [Co(diNOsar)]3+-dn (n = 0-6) isotopomers all resolvable by 59Co NMR. Variable-temperature 59Co NMR analyses reveal a temperature dependence of the 59Co chemical shift, Δδ/ΔT, on deuteration of the N-donor atoms. For 1, deuteration amplifies Δδ/ΔT by 0.07 ppm/°C. Increasing degrees of deuteration yield an opposing influence on 2, diminishing Δδ/ΔT by -0.07 ppm/°C. Solution-phase Raman spectroscopy in the low-frequency 200-600 cm-1 regime reveals a red shift of Raman-active Co-N6 vibrational modes by deuteration. Analysis of the normal vibrational modes shows that Raman modes produce the largest variation in 59Co δ. Finally, partition function analysis of the Raman-active modes shows that increased populations of Raman modes predict greater Δδ/ΔT, representing new experimental insight into the thermometry mechanism.Serious ambient PM2.5 and O3 pollution is one of the most important environmental challenges of China, necessitating an urgent cost-effective cocontrol strategy. Herein, we introduced a novel integrated assessment system to optimize a NOx and volatile organic compound (VOC) control strategy for the synergistic reduction of ambient PM2.5 and O3 pollution. Focusing on the Beijing-Tianjin-Hebei cities and their surrounding regions, which are experiencing the most serious PM2.5 and O3 pollution in China, we found that NOx emission reduction (64-81%) is essential to attain the air quality standard no matter how much VOC emission is reduced. However, the synergistic VOC control is strongly recommended considering its substantially human health and crop production benefits, which are estimated up to 163 (PM2.5-related) and 101 (O3-related) billion CHY during the reduction of considerable emissions. Notably, such benefits will be greatly reduced if the synergistic VOC reduction is delayed. This study also highlights the necessity of simultaneous VOC and NOx emission control in winter while enhancing the NOx control in the summer, which is contrary to the current control strategy adopted in China. These findings point out the right pathways for future policy making on comitigating PM2.5 and O3 pollution in China and other countries.Nanoparticle surfaces, such as cylindrical nanowires and carbon nanotubes, are commonly coated with adsorbed polymer corona phases to impart solution stabilization and to control molecular interactions. These adsorbed polymer molecules (biological or otherwise), also known as the corona phase, are critical to engineering particle and molecular interactions. However, the prediction of its structure and the corresponding properties remains an unresolved problem in polymer physics. In this work, we construct a Hamiltonian describing the adsorption of an otherwise linear polymer to the surface of a cylindrical nanorod in the form of an integral equation summing up the energetic contributions corresponding to polymer bending, confinement, solvation, and electrostatics. We introduce an approximate functional that allows for the solution of the minimum energy configuration in the strongly bound limit. The functional is shown to predict the pitch and surface area of observed helical corona phases in the literature based on the surface binding energy and persistence length alone. This approximate functional also predicts and quantitatively describes the recently observed ionic strength-mediated phase transitions of charged polymer corona at carbon nanotube surfaces. The Hamiltonian and the approximate functional provide the first theoretical link between the polymer's mechanical and chemical properties and the resulting adsorbed phase configuration and therefore should find widespread utility in predicting corona phase structures around anisotropic nanoparticles.Allosteric inhibitors regulate enzyme activity from remote and usually specific pockets. As they promise an avenue for less toxic and safer drugs, the identification and characterization of allosteric inhibitors has gained great academic and biomedical interest in recent years. Research on falcipain-2 (FP-2), the major papain-like cysteine hemoglobinase of Plasmodium falciparum, might benefit from this strategy to overcome the low selectivity against human cathepsins shown by active site-directed inhibitors. Encouraged by our previous finding that methacycline inhibits FP-2 noncompetitively, here we assessed other five tetracycline derivatives against this target and characterized their inhibition mechanism. As previously shown for methacycline, tetracycline derivatives inhibited FP-2 in a noncompetitive fashion, with Ki values ranging from 121 to 190 μM. A possible binding to the S' side of the FP-2 active site, similar to that described by X-ray crystallography (PDB 6SSZ) for the noncompetitive inhibitor E-chalcone 48 (EC48), was experimentally discarded by kinetic analysis using a large peptidyl substrate spanning the whole active site. By combining lengthy molecular dynamics (MD) simulations that allowed methacycline to diffuse from solution to different FP-2 surface regions and free energy calculations, we predicted the most likely binding mode of the ligand. Of note, the proposed binding pose explains the low differences in Ki values observed for the tested tetracycline derivatives and the calculated binding free energies match the experimental values. Overall, this study has implications for the design of novel allosteric inhibitors against FP-2 and sets the basis for further optimization of the tetracycline scaffold to produce more potent and selective inhibitors.Cognitive impairment and learning ability of the brain are directly linked to synaptic plasticity as measured in changes of long-term potentiation (LTP) and long-term depression (LTD) in animal models of brain diseases. LTD reflects a sustained reduction of the synaptic AMPA receptor content based on targeted clathrin-mediated endocytosis. AMPA receptor endocytosis is initiated by dephosphorylation of Tyr876 on the C-terminus of the AMPAR subunit GluA2. The brain-specific striatal-enriched protein tyrosine phosphatase (STEP) is responsible for this process. To identify new, highly effective inhibitors of α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptor (AMPAR) internalization, we performed structure-based design of peptides able to inhibit STEP-GluA2-CT complex formation. Two short peptide derivatives were found as efficient in vitro inhibitors. Our in vivo experiments evidenced that both peptides restore the memory deficits and display anxiolytic and antidepressant effects in a scopolamine-treated rat model. The interference peptides identified and characterized here represent promising lead compounds for novel cognitive enhancers and/or behavioral modulators.Noncovalent interactions between food macromolecules like proteins and polysaccharides with polyphenols have a broad and extensive impact on the sensory properties of food. Because of the structural diversity of the interaction partners and the corresponding variety of binding mechanisms, the determination of the distinct sensorial consequences and the correlation with molecular features is complicated. Well-documented examples include the attenuation of astringency elicited by tannins in the presence of polysaccharides or the precipitation of anthocyanins by cell-wall polysaccharides during fruit juice processing. The proposed mechanism suggests that there exist additional intricate interactions including ternary complexes. The analytical characterization of the formed complexes is difficult due to the reversible nature of these interactions.The ability to capture radioactive iodine species is crucial for nuclear accident preparedness and nuclear waste treatment; however, it remains a challenge. Here we report a new readily obtainable nitrogen-rich nonporous cage (BPy-Cage) based on bipyridine building blocks that supports iodine capture. [https://www.selleckchem.com/products/ch4987655.html RO4987655 molecular weight] This cage is able to capture not only volatile iodine in vapor form but also iodine dissolved in various organic solvents or aqueous media with an iodine uptake capacity of up to 3.23 g g-1. The iodine within the cage (I2@BPy-Cage) can be released quickly upon immersing the bound solid form in DMF, allowing for control over acylation reactions. The cage solids reported here could be reused several times without substantial loss in their iodine capture performance. The effectiveness of the present system is ascribed to its ability to support strong iodine-bipyridine nitrogen lone pair interactions.