Graphene-based materials show excellent properties in various applications because of their electrical properties, large surface areas, and high tolerance for chemical modification. The use of wet-process is a promising way for their mass production. Heteroatom doping is one of the common methods to improve their electrical, physical, and electrochemical properties. In this work, we develop a new route for the production B-doped graphene-based materials using low-temperature wet-process, which is the reaction between graphene oxide suspensions and a BH3 adduct in tetrahydrofuran under reflux. Elemental mapping images show well-dispersed B atoms along the materials. Various spectroscopic characterizations confirm the reduction of the graphene oxide and incorporation of B atoms into the carbon network as high as ~ 2 at%. The materials showed electrocatalytic activity for oxygen reduction reactions.

Isotropic pitch-based carbon fiber was successfully prepared from tetrahydrofuran-soluble fraction of coal tar pitch cocarbonization with petrolatum by air-blowing. The effects of reaction temperature and time, amount of petrolatum added on the composition and spinning properties of resultant pitches were investigated. It indicated that petrolatum could effectively improve the softening point, aromaticity, hydrogen content and molecular weight of the resultant pitches by promoting cross-linking and dehydrogenation polymerization reactions at low air-blowing temperature. Moreover, more aliphatic and naphthenic structures had been introduced into resultant pitches as addition of petrolatum and also inhibited the generation of quinoline-insoluble particles. The obtained green fibers were facile to be stabilized and carbonized and the resultant carbon fibers showed fully isotropic and finer, uniform diameter with smooth surface and higher tensile strength of up to 0.92 GPa. It provided a facile chemical modification method for isotropic pitch-based carbon fiber production.

The binding affinity constants (p(Od)50) and molecular docking scores (DS) between porcine odorant binding proteins pOBP (1HQP) and pPBP (1GM6) as receptor and a series of tetrahydrofuran-2-yl (A & B) analogues as substrate, and their interactions were discussed quantitatively using three-dimensional quantitative structure-activity relationship (3D-QSAR) models. The statistical qualities of the optimized CoMFA models for pOBP were better than those of the CoMSIA models. The binding affinity constants and DS between substrate and receptor molecules were dependent upon steric and hydrophobic interaction. The DS constants of the substrates into the binding site of OBP (1HQP) were bigger than those of PBP (1GM6). The resulting contour maps produced by the optimized CoMFA model were used to identify the structural features relevant to the binding affinity in binding site of pOBP.

To search a new pig pheromonal odorant, the N1-allyl-N2-(tetrahydrofuran-2-ylmethyl)oxalamide molecule predicted by ligand based approach and molecular docking method was synthesized by nucleophilic addition-elimination reaction (AdNU-E) between N-allyloxalamic acid ethylester and tetrahydrofurylmethylamine. According to the evaluation results for efficiency of pig estrus control, the synthesized pig pheromonal N1-allyl-N2-(tetrahydrofuran-2- ylmethyl)oxalamide molecule advanced the estrus by 11.3 days (p<0.05) compared with the non-pheromone group. And from these results, it is predicted that the synthesized pig pheromonal compound will be able to increase the reproduction efficiency of pig.

돼지 페르몬성 냄새 물질을 탐색하기 위하여 tetrahydrofuran-2-yl 계 화합물들과 관측된 결합 친화력상수(Obs.p[Od]50) 사이의 정량적인 구조-활성관계(QSAR)로부터 4개 형태의 모델(2D-QSAR, HQSR, CoMFA 및 CoMSIA)들이 유도되었다. Ligand based approache로부터 최적화된 CoMFA 모델(예측성; r2cv.(q2)=0.886 및 상관성 r2RCV 0.984)이 가장 좋은 모델이었다. CoMFA 모델로부터 돼지 페르몬성 냄새 물질로 예측된 N1-allyl-N2 -(tetrahydrofuran-2-yl)methyl) oxalamide (P1), 2- (4-trimethylammoniummethylcyclohexyloxy)tetrahydrofurane (P5) 및 2- (3-trimethylammonium-methylcyclohexyloxy)tetrahydrofurane (P6) 분자들은 비교적 높은 결합 친화력 상수값(Pred.p[Od]50) =8~10)과 몇 가지 독성에 대하여 낮은 독성간을 나타내었다.