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91.
92.
    
PSYCOSY is an f1 broadband homonuclear decoupled version of the COSY nuclear magnetic resonance pulse sequence. Here, we investigate by a combination of experimental measurements, spatially distributed spin dynamics simulations, and analytical predictions the coherence evolution delay necessary in PSYCOSY experiments to ensure intensity discrimination in favour of the correlations typically arising from short range (nJ, n ≤ 3) 1H–1H couplings and show that, in general, a coherence evolution delay of around 35 ms is optimum.  相似文献   
93.
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Metabolomics is a potential tool for the discovery of new biomarkers in the early diagnosis of diseases. An ultra-fast gas chromatography system equipped to an electronic nose detector (FGC eNose) was used to identify the metabolomic profile of Volatile Organic Compounds (VOCs) in type 2 diabetes (T2D) urine from Mexican population. A cross-sectional, comparative, and clinical study with translational approach was performed. We recruited twenty T2D patients and twenty-one healthy subjects. Urine samples were taken and analyzed by FGC eNose. Eighty-eight compounds were identified through Kovats's indexes. A natural variation of 30% between the metabolites, expressed by study groups, was observed in Principal Component 1 and 2 with a significant difference (p < 0.001). The model, performed through a Canonical Analysis of Principal coordinated (CAP), allowed a correct classification of 84.6% between healthy and T2D patients, with a 15.4% error. The metabolites 2-propenal, 2-propanol, butane- 2,3-dione and 2-methylpropanal, were increased in patients with T2D, and they were strongly correlated with discrimination between clinically healthy people and T2D patients. This study identified metabolites in urine through FGC eNose that can be used as biomarkers in the identification of T2D patients. However, more studies are needed for its implementation in clinical practice.  相似文献   
95.
    
Chitin is one of the most abundant and cheaply available biopolymers in Nature. Chitin has become a valuable starting material for many biotechnological products through manipulation of its N-acetyl functionality, which can be cleaved under mild conditions using the enzyme family of de-N-acetylases. However, the chemoselective enzymatic re-acylation of glucosamine derivatives, which can introduce new stable functionalities into chitin derivatives, is much less explored. Herein we describe an acylase (CmCDA from Cyclobacterium marinum) that catalyzes the N-acylation of glycosamine with a range of carboxylic acids under physiological reaction conditions. This biocatalyst closes an important gap in allowing the conversion of chitin into complex glycosides, such as C5-modified sialosides, through the use of highly selective enzyme cascades.  相似文献   
96.
Several pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxide derivatives have been synthesized for the first time by condensation of suitable 4,5-diamino-1,2,6-thiadiazine 1,1-dioxides and symmetrical 1,2-dicarbonyl compounds. Structures of these compounds have been characterized by their elementary analyses, 1H-nmr and uv spectra as well as their pKa values. The most striking differences between this series and the corresponding pteridines are discussed.  相似文献   
97.
Improving the performance of anode materials for lithium-ion batteries (LIBs) is a hotly debated topic. Herein, hollow Ni−Co skeleton@MoS2/MoO3 nanocubes (NCM-NCs), with an average size of about 193 nm, have been synthesized through a facile hydrothermal reaction. Specifically, MoO3/MoS2 composites are grown on Ni−Co skeletons derived from nickel–cobalt Prussian blue analogue nanocubes (Ni−Co PBAs). The Ni−Co PBAs were synthesized through a precipitation method and utilized as self-templates that provided a larger specific surface area for the adhesion of MoO3/MoS2 composites. According to Raman spectroscopy results, as-obtained defect-rich MoS2 is confirmed to be a metallic 1T-phase MoS2. Furthermore, the average particle size of Ni−Co PBAs (≈43 nm) is only about one-tenth of the previously reported particle size (≈400 nm). If assessed as anodes of LIBs, the hollow NCM-NC hybrids deliver an excellent rate performance and superior cycling performance (with an initial discharge capacity of 1526.3 mAh g−1 and up to 1720.6 mAh g−1 after 317 cycles under a current density of 0.2 A g−1). Meanwhile, ultralong cycling life is retained, even at high current densities (776.6 mAh g−1 at 2 A g−1 after 700 cycles and 584.8 mAh g−1 at 5 A g−1 after 800 cycles). Moreover, at a rate of 1 A g−1, the average specific capacity is maintained at 661 mAh g−1. Thus, the hierarchical hollow NCM-NC hybrids with excellent electrochemical performance are a promising anode material for LIBs.  相似文献   
98.
Cyclic peptides with disc-shaped structures have emerged as potent building blocks for the preparation of new biomaterials in fields ranging from biological to material science. In this work, we analyze in depth the self-assembling properties of a new type of cyclic peptides based on the alternation of α-residues and cyclic δ-amino acids (α,δ-CPs). To examine the preferred stacking properties adopted by cyclic peptides bearing this type of amino acids, we carried out a synergistic in vitro/in silico approximation by using simple dimeric models and then extended to nanotubes. Although these new cyclic peptides (α,δ-CPs) can interact either in a parallel or antiparallel fashion, our results confirm that although the parallel β-sheet is more stable, it can be switched to the antiparallel stacking by choosing residues that can establish favorable cross-strand interactions. Moreover, the subsequent comparison by using the same methodology but applied to α,γ-CPs models, up to the moment assumed as antiparallel-like d,l -α-CPs, led to unforeseen conclusions that put into question preliminary conjectures about these systems. Surprisingly, they tend to adopt a parallel β-sheet directed by the skeleton interactions. These results imply a change of paradigm with respect to cyclic peptide designs that should be considered for dimers and nanotubes.  相似文献   
99.
    
Capacitive deionization is a promising technique in sea water desalination. Compared with common electrodes, mixed capacitive-deionization electrodes exhibit better performance in sea water desalination because they integrate pseudocapacitance and electric double-layer capacitance in one system. Herein, a 3D binder-free mixed capacitive-deionization electrode was fabricated by direct electrodeposition of SiW12O404− and polyaniline on a 3D exfoliated graphite carrier. In this electrode, SiW12O404−/polyaniline composite particles with a size of about 100–120 nm are dispersed homogenously on the 3D exfoliated graphite carrier. Its specific capacitance reaches 352 F g−1 at 1 A g−1. With increasing current from 1 to 20 A g−1, the specific capacitance only decays by 32 %. When employed in sea water desalination, the performance of this mixed capacitive-deionization electrode is also excellent. At 1.2 V, the salt adsorption capacity of this mixed electrode reaches 23.1 mg g−1 with a salt adsorption rate of 1.38 mg g−1 min−1 in 500 mg L−1 NaCl. The performance of this electrode is well retained after 30 cycles. The excellent sea water desalination performance originates from the synergistic effect between SiW12O404− and polyaniline. This work has developed polyoxometalate as a new material for capacitive-deionization electrodes.  相似文献   
100.
    
Layered/two-dimensional covalent organic frameworks (2D COF) are crystalline porous materials composed of light elements linked by strong covalent bonds. Interlayer force is one of the main factors directing the formation of a stacked layer structure, which plays a vital role in the stability, crystallinity, and porosity of layered COFs. The as-developed new way to modulate the interlayer force of imine-linked 2D TAPB-PDA-COF (TAPB = 1,3,5-tris(4-aminophenyl)benzene, PDA = terephthaldehyde) by only adjusting the pH of the solution. At alkaline and neutral pH, the pore size of the COF decreases from 34 Å due to the turbostratic effect. Under highly acidic conditions (pH 1), TAPB-PDA-COF shows a faster and stronger turbostratic effect, thus causing the 2D structure to exfoliate. This yields bulk quantities of an exfoliated few/single-layer 2D COF, which was well dispersed and displayed a clear Tyndall effect (TE). Furthermore, nanopipette-based electrochemical testing also confirms the slipping of layers with increase towards acidic pH. A model of pH-dependent layer slipping of TAPB-PDA-COF was proposed. This controllable pH-dependent change in the layer structure may open a new door for potential applications in controlled gas adsorption/desorption and drug loading/releasing.  相似文献   
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