Publications by authors named "Huizhong Shi"

3 Publications

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Theoretical prediction on photoelectric and supramolecular properties of benzoquinone-tetrathiafulvalene macrocyclic molecules.

J Mol Model 2021 May 7;27(6):157. Epub 2021 May 7.

School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, 225002, Jiangsu, China.

Benzoquinone has the ability to serve as an electron acceptor, and tetrathiafulvalene has the ability to serve as an electron donor. Based on the facts above, this work creatively cycles the benzoquinone unit and the tetrathiafulvalene unit alternately into macrocyclic molecules, the cyclopolymers of benzoquinone-tetrafluorene (C[n]QTTF, n = 3~6). To explore their structure and properties, the M06-2X functional of density functional theory (DFT) with 6-311g(d) basis set was used to optimize the ground-state structures of C[n]QTTF. Based on the stable configurations of the ground states, the electronic structure property is analyzed systematically. The results show that these macrocyclic molecules have excellent electron transport capability and electrochemical activity. Then, the electron absorption spectra of each system are carried out by using time-dependent density functional theory (TD-DFT) at the M062X/6-311+G(d) level. It turns out that their maximum absorption wavelengths are all in the visible range. Further calculation suggests that C[n]QTTF can also be characterized with one-dimensional self-assembly, double-walled assembly, and the host-guest inclusion performance, based on which it gains a variety of supramolecular structures. In summary, the benzoquinone-tetrafluorofurene macrocyclic molecules predicted by DFT calculations may be of assistance to the potential applications in organic electronics and supramolecular chemistry.
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http://dx.doi.org/10.1007/s00894-021-04782-5DOI Listing
May 2021

Effects of a Potential Host Gut-Derived Probiotic, Bacillus subtilis 6-3-1, on the Growth, Non-specific Immune Response and Disease Resistance of Hybrid Grouper (Epinephelus fuscoguttatus♀ × Epinephelus lanceolatus♂).

Probiotics Antimicrob Proteins 2021 Mar 14. Epub 2021 Mar 14.

State Key Laboratory of Marine Resource Utilization in South China Sea, Hainan University, Haikou, Hainan, 570228, People's Republic of China.

A potential host-derived probiotic, Bacillus subtilis 6-3-1, was successfully screened from 768 isolates from the intestines of healthy hybrid grouper (Epinephelus fuscoguttatus ♀ × Epinephelus lanceolatus ♂) based on multiple probiotic characteristics in vitro assays, such as, non-hemolytic activity, extracellular enzyme activity, inhibitory activity against pathogens, tolerance to gastrointestinal stress, cell surface hydrophobicity, autoaggregation, and antibiotic susceptibility. Eight weeks of feeding trial revealed that dietary supplementation of B. subtilis 6-3-1 at all three concentrations (1 × 10 CFU g as BS6; 1 × 10 CFU g as BS7; 1 × 10 CFU g as BS8) could promote the growth performance of hybrid groupers to a certain extent at different time points. At the end of 8th week, BS6 and BS8 significantly promoted the weight gain rate (WGR), specific growth rate (SGR) of hybrid groupers. The digestive enzyme activities were also increased in BS6 and BS8 groups comparing with those in control group, except that the increase of amylase activities in BS6 was not significant (P > 0.05). However, BS7 showed the best non-specific immunity stimulating effects among the three concentration groups. While BS7 significantly boosted serum total protein contents, lysozyme (LZM), total antioxidant capacity (T-AOC), superoxide dismutase (SOD), catalase (CAT), and acid phosphatase (ACP) levels, BS6 significantly enhanced serum total protein, LZM activity, and BS8 significantly improved LZM, respiratory bursts activity. B. subtilis 6-3-1 up-regulated the expression of MyD88 in head kidney and intestine and increased villi length (VL) in intestine of BS7 group. It also up-regulated the expression of IgM in head kidney in BS6 group and IgM and TLR1 in intestine of BS8 group. Though all B. subtilis 6-3-1 supplemented groups reduced the cumulative mortality rate post-Vibro harveyi-challenge, BS7 showed the best protection effects among the three concentration groups. In conclusion, with its immune promoting, intestine health enhancing, and V. harveyi resisting effects, BS7 show great potential to be used as a probiotic in hybrid grouper culture.
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http://dx.doi.org/10.1007/s12602-021-09768-6DOI Listing
March 2021

Construction of Polyfunctionalized 2,4-Dioxa-8-azaspiro[5.5]undec-9-enes and 2,4,8-Triazaspiro[5.5]undec-9-enes via a Domino [2+2+2] Cycloaddition Reaction.

J Org Chem 2021 Jan 2;86(2):1827-1842. Epub 2021 Jan 2.

College of Chemistry & Chemical Engineering, Yangzhou University, Yangzhou 225002, China.

The three-component reaction of ,-unsaturated -arylaldimines, dialkyl but-2-ynedioates, and 2-arylidene Meldrum acids in DCM at room temperature gave mixtures of /-11-aryl-7-styryl-2,4-dioxa-8-azaspiro[5.5]undec-9-enes in satisfactory yields. The similar three-component reaction with 2-arylidene-,'-dimethylbarbituric acids afforded -11-phenyl-7-styryl-2,4,8-triazaspiro[5.5]undec-9-enes as major products. On the other hand, the three-component reaction of -arylaldimines, dialkyl but-2-ynedioates, and 2-arylidene Meldrum acids or 2-arylidene-,'-dimethylbarbituric acids afforded /isomeric spirocompounds in satisfactory yields with high diastereoselectivity. This domino [2+2+2] cycloaddition reaction proceeded with sequential nucleophilic addition of -arylaldimine to an electron-deficient alkyne, Michael addition, and annulation process. The stereochemistry of all / isomeric spirocompounds was clearly elucidated by the determination of 33 single-crystal structures. The diastereoselectivity of the three-component reaction was correlated by DFT calculations.
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http://dx.doi.org/10.1021/acs.joc.0c02645DOI Listing
January 2021
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