Thermoreversible Supramolecular Polymer Gels via Metal–Ligand Coordination in an Ionic Liquid

Thermoreversible supramolecular polymer gels were prepared via metal–ligand coordination by mixing a poly­(4-vinylpyridine)-<i>b</i>-poly­(ethyl acrylate)-<i>b</i>-poly­(4-vinylpyridine) (P4VP–PEA–P4VP) triblock copolymer and zinc chloride (ZnCl₂) in a hydrophobic ionic liquid, 1-ethyl-3-methylimidazolium bis­(trifluoromethylsulfonyl)­imidide. FT-IR spectroscopy revealed metal–ligand coordination between zinc in ZnCl₂ and pyridine groups as ligands on P4VP blocks, even in an ionic liquid. Thermoreversible viscoelastic properties between a semisolid (gel-like) state and a liquid-like state were confirmed by temperature-ramp oscillatory shear measurements. It was also revealed that thermoreversibility of supramolecular polymer gels depended strongly on stoichiometry between ligands and metals, where the maximum of storage modulus-loss modulus crossover temperature (<i>T</i>_gel) as an indicator of gelation was achieved when a molar amount of available coordination sites was a certain excessive amount (coordination site/ligand ratio ∼1.6). The molar ratio at the maximum <i>T</i>_gel is nearly independent of the number of ligands per triblock copolymer. On the other hand, the number of ligands per triblock copolymer affected the <i>T</i>_gel, where a larger number of ligands per triblock copolymer gave a higher <i>T</i>_gel, regardless of almost the same molecular weight of triblock copolymers

Additional file 2 of Different color regulation mechanism in willow barks determined using integrated metabolomics and transcriptomics analyses

Additional file 2: TableS6. The metabolites identified in positive ion mode

Additional file 4 of Different color regulation mechanism in willow barks determined using integrated metabolomics and transcriptomics analyses

Additional file 4: Table S8. The differential expressed genes identified inwillow barks

Additional file 3 of Different color regulation mechanism in willow barks determined using integrated metabolomics and transcriptomics analyses

Additional file 3: Table S7. The metabolites identified in negative ionmode

Additional file 1 of Different color regulation mechanism in willow barks determined using integrated metabolomics and transcriptomics analyses

Additional file 1: TableS1. Information on all metabolites. Table S2. Up- and downregulatedmetabolites. Table S3. RNA-sequencing profiles. Table S4. Number of up- anddownregulated differentially expressed genes. Table S5. The primers designedfor RT-qPCR

Sequential Molecular Dynamics Simulations: A Strategy for Complex Chemical Reactions and a Case Study on the Graphitization of Cooked 1,3,5-Triamino-2,4,6-trinitrobenzene

The fundamental core of chemistry is to create new substances, and numerous complex reactions may be involved in chemical conversions. Nevertheless, clarifying the mechanisms of these complex reactions remains challenging, thereby causing insufficiencies in the fundamentals to guide new substance creation. This work proposes and emphasizes a strategy of sequential molecular dynamics simulations (SMDSs) toward complex chemical reactions. The strategy is successfully demonstrated by clarifying a complex graphitization process of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), whose mechanism has not been imaged by a single simulation alone. We conducted SMDSs with a molecular reactive force field, ReaxFF, to resemble the cook-off of TATB, i.e., a sequence of heating, expansion, and cooling acting on TATB. Graphitization is found to sequentially undergo TATB molecular decay, clustering, cluster enlargement to C sheets (sheeting), and layered stacking of C sheets, along with phase separation. Moreover, the structures graphitized from TATB can be imaged only when simulations are conducted in the sequence of heating, expansion, and cooling, in accordance with the actual conditions of cooking TATB. This successful exemplification shows that a large number of complex reaction mechanisms can be revealed using the SMDS strategy and computation ability promotion, in combination with the clarified experimental conditions. This strategy exhibits considerable potential for future use

Table_1_Development of a rapid quantitative method to differentiate MS1 vaccine strain from wild-type Mycoplasma synoviae.DOCX

Mycoplasma synoviae (MS) is an economically important pathogen in the poultry industry. Vaccination is an effective method to prevent and control MS infections. Currently two live attenuated MS vaccines are commercially available, the temperature-sensitive MS-H vaccine strain and the NAD-independent MS1 vaccine strain. Differentiation of vaccine strains from wild-type (WT) strains is crucial for monitoring MS infection, especially after vaccination. In this study, we developed a Taqman duplex real-time polymerase chain reaction (PCR) method to identify MS1 vaccine strains from WT strains. The method was specific and did not cross-react with other avian pathogens. The sensitivity assay indicated that no inhibition occurred between probes or between mixed and pure templates in duplex real-time PCR. Compared with the melt-based mismatch amplification mutation assay (MAMA), our method was more sensitive and rapid. In conclusion, the Taqman duplex real-time PCR method is a useful method for the diagnosis and differentiation of WT-MS and MS1 vaccine strains in a single reaction.</p

Table_3_Development of a rapid quantitative method to differentiate MS1 vaccine strain from wild-type Mycoplasma synoviae.DOCX

Mycoplasma synoviae (MS) is an economically important pathogen in the poultry industry. Vaccination is an effective method to prevent and control MS infections. Currently two live attenuated MS vaccines are commercially available, the temperature-sensitive MS-H vaccine strain and the NAD-independent MS1 vaccine strain. Differentiation of vaccine strains from wild-type (WT) strains is crucial for monitoring MS infection, especially after vaccination. In this study, we developed a Taqman duplex real-time polymerase chain reaction (PCR) method to identify MS1 vaccine strains from WT strains. The method was specific and did not cross-react with other avian pathogens. The sensitivity assay indicated that no inhibition occurred between probes or between mixed and pure templates in duplex real-time PCR. Compared with the melt-based mismatch amplification mutation assay (MAMA), our method was more sensitive and rapid. In conclusion, the Taqman duplex real-time PCR method is a useful method for the diagnosis and differentiation of WT-MS and MS1 vaccine strains in a single reaction.</p

Table_2_Development of a rapid quantitative method to differentiate MS1 vaccine strain from wild-type Mycoplasma synoviae.DOCX

Mycoplasma synoviae (MS) is an economically important pathogen in the poultry industry. Vaccination is an effective method to prevent and control MS infections. Currently two live attenuated MS vaccines are commercially available, the temperature-sensitive MS-H vaccine strain and the NAD-independent MS1 vaccine strain. Differentiation of vaccine strains from wild-type (WT) strains is crucial for monitoring MS infection, especially after vaccination. In this study, we developed a Taqman duplex real-time polymerase chain reaction (PCR) method to identify MS1 vaccine strains from WT strains. The method was specific and did not cross-react with other avian pathogens. The sensitivity assay indicated that no inhibition occurred between probes or between mixed and pure templates in duplex real-time PCR. Compared with the melt-based mismatch amplification mutation assay (MAMA), our method was more sensitive and rapid. In conclusion, the Taqman duplex real-time PCR method is a useful method for the diagnosis and differentiation of WT-MS and MS1 vaccine strains in a single reaction.</p