The first excited-state proton transfer (ESPT) in 7AI-H O complex and its derivatives, in which the hydrogen atom at the C position in pyrrole ring was replaced by halogen atom X (X = F, Cl, Br), were studied at the TD-M06-2X/6-31 + G(d, p) level. The double proton transfer took place in a concerted but asynchronous protolysis pathway. The vibrational-mode selectivity of excited-state double proton transfer in the model system was confirmed. The specific vibrational-mode could shorten the reaction path and accelerate the reaction rate. The substituent effects on the excited-state proton transfer process were discussed. When the H atom at C position in 7AI-H O complex was replaced by halogen atom, some geometrical parameters changed obviously, the barrier height of ESDPT reduced, and the asynchronicity of proton transfer enlarged. The above changes correlated with the Pauling electronegativity of halogen atom.

Advances in long-read sequencing technology and genome assembly provide an opportunity to improve the pig genome and reveal the full range of structural variations (SVs) between local Chinese and European pigs. To date, little is known about the genomes of some unique Chinese indigenous breeds, such as the Ningxiang pig. Here, we report the sequencing and assembly of a highly contiguous Ningxiang pig genome (NX) via an integration of PacBio single-molecule real-time sequencing, Illumina nextgeneration sequencing, BioNano optical mapping and Hi-C (chromosome conformation capture) approaches. The assembled genome comprises 2.44 Gb with a contig N50 of 26.1 Mb and 418 contigs in total. These contigs are organized into 121 scaffolds with a scaffold N50 of 139.0 Mb. More than 99.1% of the assembled sequence could be localized to 19 pseudochromosomes and is annotated with 20,914 protein-coding genes and 34.04% repetitive sequences. Comparisons between the NX and European Duroc assemblies revealed many SVs in genes involved in the immune system, nervous system, lipid metabolism and environmental adaptation. The genetic variants include 47 Chinese domestic pig-specific SVs and the associated 74 genes may contribute to the differences in domestic traits compared to European pigs. Moreover, single nucleotide polymorphisms (SNPs) identified from whole genome resequencing data of 73 Chinese pigs, representing 17 geographically isolated breeds, showed their specific genetic variations, population structure and evolutionary patterns. Finally, we explore transcriptional regulation in the first intron of the MYL4 gene, as the genomic SV (281bp deletion) in Ningxiang pig promotes its subcutaneous fat compared to European | 1509 MA et Al.

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The dynamics of excited‐state double proton transfer (ESDPT) depending on hydrogen bonding of water molecules to the mediating water were studied at the TD‐M06‐2X/6‐31+G(d, p) level. The additional H‐bonding accepting (aW) or donating (dW) water had an effect on the mechanism of ESDPT. The double proton transfer occurred in an asynchronous but concerted protolysis or solvolysis pattern dependence on the aW or dW, respectively. The aW or dW stabilized the corresponding protolysis or solvolysis mechanism, respectively. The extra aW and dW would increase the asynchronicity of proton transfer. The bridging water in ESDPT process needed only one single H‐bond accepting or donating solvent molecule relying on the protolysis or solvolysis mechanism energetically. The specific vibrational modes in the 7AIW‐aW, 7AIW‐dW, and 7AIW‐aW‐dW complexes red‐shifted due to aW or dW.