• 한국전기전자재료학회논문지
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• 제35권4호
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• pp.366-371
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• 2022

Recently many efforts have been made to develop a novel class of non-fullerene electron acceptor materials for high-performance organic solar cells. In this work, anthraquinone derivatives, TMAQ and THAQ, were prepared and their availability as electron acceptor materials for organic solar cells were investigated in terms of optical, thermal, electrochemical properties, and solar cell devices. Compared to TMAQ, a significant bathochromic shift of absorption band was observed for THAQ owing to intramolecular hydrogen-bond-assisted CT interactions. Thanks to the fused aromatic ring structure and benzoquinone unit, both TMAQ and THAQ exhibited a high thermal stability and an efficient electron reduction process. In particular, the intramolecular O-H---O=C hydrogen bond of THAQ plays an important role in improving the thermal stability and electron reduction properties. In the P3HT:acceptor solar cell system, THAQ-based devices had more than ca. 6 times higher power conversion efficiency than TMAQ -based devices. These results serve as a guide for developing high-efficient anthraquinone-based electron acceptor materials.

• Macromolecular Research
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• 제16권5호
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• pp.446-456
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• 2008

A recent theoretical approach based on the coupling of both the Flory-Huggins (FH) and the Association Equilibria thermodynamic (AET) theories was modified and adapted to study the miscibility properties of a multi-component system formed by two polymers (a proton-donor and a proton-acceptor) and a proton-acceptor solvent, named copolymer(A)/solvent(B)/polymer(C). Compatibility between polymers was mainly attained by hydrogen-bonding between the hydroxyl group on the phenol unit of the poly(styrene-co-vinyl phenol) (PSVPh) and the carbonyl group of the biodegradable and environmentally friendly poly(3-hydroxybutyrate) (PHB). However, the self-association of PSVPh and specific interactions between the PSVPh and the H-acceptor group (an ether oxygen atom) of the epichlorohydrin (ECH) solvent were also established in a lower extension, which competed with the polymer-polymer association. All the binary specific interactions and their dependence with the system composition as well as with the copolymer content were evaluated and quantified by means of two excess functions of the Gibbs tree energy, ${\Delta}g_{AB}$ and ${\Delta}g_{AC}$. Experimental results from fluorescence spectroscopy were consistent with the theoretical simulations derived with the model, which could also be applied and extended to predict the miscibility in solution of any polymer blend with specific interactions.

• Bulletin of the Korean Chemical Society
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• 제20권3호
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• pp.261-263
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• 1999

• Bulletin of the Korean Chemical Society
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• 제18권1호
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• pp.18-23
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• 1997

Data from structure/activity studies in vir gene induction system have led to evaluate the working hypothesis of interaction between phenolic inducers and phenol binding proteins. The primary specificity in the association of a phenolic inducer with its receptor in our system is hypothesized to be the hydrogen bonding interactions through the ortho methoxy substituents as well as the proton transfer between the inducer and the binding protein. In this paper the proposed working model for phenol-mediating signal transduction was evaluated in several ways. The importance of the general acid-base catalysis was first addressed by the presence of an acidic residue and a basic residue in the phenol binding protein. Series of compounds were tested for vir gene expression activity to confirm the generation of a strong nucleophile by an acidic residue and an involvement of a basic residue as a proton acceptor. An attempt was made to correlate the pKa values of the phenolic compounds with vir gene induction activities as inducers to further support the proposed proton transfer mechanism. Finally, it was also observed that the regioselectively attached methoxy group on phenol compounds is required as the proper hydrogen bond acceptor.

• 대한화학회지
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• 제57권1호
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• pp.99-103
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• 2013

The present communication deals with the Pharmacophore modeling, 3D QSAR and docking analysis on series of Pyrimidine derivatives as potential calcium channel blockers. The computational studies showed hydrogen bond donor, hydrogen bond acceptor, and hydrophobic group are important features for calcium channel blocking activity. These studies showed that Pyrimidine scaffold can be utilized for designing of novel calcium channels blockers for CVS disorders.

• Bulletin of the Korean Chemical Society
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• 제2권1호
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• pp.8-11
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• 1981

A new potential function based on spectroscopic results for diatomic molecules is presented and applied to the hydrogen bonding systems. The potential energy of interaction is supposed to have electrostatic, polarization, dispersion, repulsion and effective charge-transfer contributions. Estimates of the effective charge-transfer quantity have been made based on the average charge of the proton donor and the acceptor atoms. For dimers such as water, methanol, acetic acid and formic acid, the vibrational stretching frequencies and dimerization energies are calculated and dicussed in connection with Badger-Bauer rule.

• Carbon letters
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• 제12권2호
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• pp.112-115
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• 2011

The scope of this work investigates the relationship between the amount of oxygen-functional groups and hydrogen adsorption capacity with different concentrations of phosphoric acid. The amount of oxygen-functional groups of activated carbons (ACs) is characterized by X-ray photoelectron spectroscopy. The effects of chemical treatments on the pore structures of ACs are investigated by $N_2$/77 K adsorption isotherms. The hydrogen adsorption capacity is measured by $H_2$ isothermal adsorption at 298 K and 100 bar. In the results, the specific surface area and pore volume slightly decreased with the chemical treatments due to the pore collapsing behaviors, but the hydrogen storage capacity was increased by the oxygen-functional group characteristics of AC surfaces, resulting from enhanced electron acceptor-donor interaction at interfaces.

• Bulletin of the Korean Chemical Society
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• 제26권5호
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• pp.802-804
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• 2005

• 한국미생물·생명공학회지
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• 제5권3호
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• pp.141-151
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• 1977

Nocardia sp의 tellurite 및 tellurate 환원효소의 세포내 분포 및 이의 정제법에 대한 실험과 효소 화학약 성질에 대한 연구를 요약하면 다음과 같다. Nocardia sp의 tellurite 및 tellurate 환원효소는 세포질중에 존재하며 T.T.C.의 환원부위와는 세포내에서의 존재양식이 서로 다르다. 세포용성 성분을 균체로부터 조제하여 이것을 재료로 해서 유안여석법, DEAE-Cellulose column chromatography등을 병용함에 따라, tellurite및 tellurate 환원순서의 정제가 가능하다. 이상의 정제효소를 사용하여 이의 낙소 화학적 성질에 대하여 검토한 결과, 수소공여체로는 NADH, NADPH 환원형(methylene blue)의 어느 것이든 작용한다는 것을 알았지마는 아마 생리적 수소공여체는 NADH, NADPH의 양자이든가 또는 이들 양자중에서 어느 하나일 것이다. 한편 이들 수소공여체에 대한 수소수용기는 본 효소에 있어서는 tellurite가 균체의 기질이 되지마는 tellurite 및 tellurate와 화학구조가 유사한 selenite, selenate를 환원하여 각각의 기질화합물중에 함유되어 있는 금속을 석출한다는 것도 알게 되었다.

• 분석과학
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• 제36권3호
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• pp.128-134
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• 2023

병풀(Centella asiatica) 추출물인 asiaticoside와 madecassoside는 항균성 및 피부재생 등의 효과로 인해 아시아 지역에서 치료용 연고에 사용되고 있으며, 병풀의 재배 및 추출효율을 높이기 위한 연구가 상업화를 위해 활발히 진행되고 있다. 본 연구에서는 환경 친화적인 추출 용매인 deep eutectic solvents(DESs)가 병풀에서 asiaticoside와 madecassoside의 추출 효율에 미치는 영향을 관찰하기 위하여 다양한 수소결합 받개(hydrogen bond acceptor, HBA)와 주개(hydrogen bond donor, HBD)의 혼합 몰비(HBA1: HBD2, HBA1:HBD3, HBA1:HBD4, 그리고 HBA1:HBD5)로 제조하여 추출용매로 사용하였며, 용매 추출에서 일반적으로 사용되고 있는 추출용매인 증류수(DW)와 methanol (MeOH)의 추출 결과를 최적화된 HPLC조건으로 분리하여 정량 분석하였다. 그 결과, DW와 DES를 3:7로 혼합하여 사용한 경우가 단일 MeOH를 사용한 경우보다 약 1.4배 높은 추출 효율을 보였다. 반대로 MeOH과 DES를 3:7로 혼합하여 사용하는 경우에서는 단일 MeOH를 사용하는 경우보다 약 6 % 낮은 추출 효율을 보였다.