• Journal of the Korean Wood Science and Technology
• /
• 제22권1호
• /
• pp.80-84
• /
• 1994

The orientation of bezene ring in latex film was investigated with raman spectroscopy. The benzene ring of anionic latex ran parallel with the film surface of latex, whereas that of amphoteric latex did not. Consequently, it showed the possibility of interactions or interrelations between the orientation of benzene ring and ink, contact angle, printability and so on.

• Bulletin of the Korean Chemical Society
• /
• 제23권3호
• /
• pp.441-446
• /
• 2002

We have presented the results of thermodynamic, structural and dynamic properties of liquid benzene, toluene, and p-xylene in canonical (NVT) ensemble at 293.15 K by molecular dynamics (MD) simulations. The molecular model adopted for these molecules is a combination of the rigid body treatment for the benzene ring and an atomistically detailed model for the methyl hydrogen atoms. The calculated pressures are too low in the NVT ensemble MD simulations. The various thermodynamic properties reflect that the intermolecular interactions become stronger as the number of methyl group attached into the benzene ring increases. The pronounced nearest neighbor peak in the center of mass g(r) of liquid benzene at 293.15 K, provides the interpretation that nearest neighbors tend to be perpendicular. Two self-diffusion coefficients of liquid benzene at 293.15 K calculated from MSD and VAC function are in excellent agreement with the experimental measures. The self-diffusion coefficients of liquid toluene also agree well with the experimental ones for toluene in benzene and for toluene in cyclohexane.

• Bulletin of the Korean Chemical Society
• /
• 제25권9호
• /
• pp.1392-1396
• /
• 2004

The micellization of dodecylpyridinum chloride (DPC) assembled on aqueous gold nanoparticles has been studied as a function of concentration using Surface-Enhanced Raman Scattering (SERS). At the low concentration, the strong SERS band of the benzene ring moiety was observed at 1025 $cm^{-1}$, and assigned to “trigonal ring breathing”. According to high concentration of DPC, a new strong band was also appeared at 1012 $cm^{-1}$, which was assigned to “totally symmetry ring breathing”. The difference of two spectra seems to ascribe to the geometry of polar head group, i.e., pyridinium cation. These geometry exist flat-down at low concentration, whereas standing-up or tilted geometry at high concentration. The critical micelle concentration (CMC) was first obtained from the ratio of intensities of the two bands related to the benzene ring moiety by vibrational spectroscopy, and was about 28 mM. After the CMC, the benzene ring moiety in the micelle state was more restricted than in monomer state because there is no more change of intensities at 1012 $cm^{-1}$. In addition, the size of gold-assembled micelle was estimated using light scattering and it was about 328.3 nm.

• Journal of Microbiology
• /
• 제38권2호
• /
• pp.53-61
• /
• 2000

Hydroxybenzoic acids are the most important intermediates in the degradative pathways of various aromatic compounds. Microorganisms catabolize aromatic compounds by converting them to hydroxylated intermediates and then cleave the benzene nucleus with ring dioxygenases. Hydroxylation of the benzene nucleus of an aromatic compound is an essential step for the initiation and subsequent disintegration of the benzene ring. The incorporation of two hydroxyl groups is essential for the labilization of the benzene nucleus. Monohydroxybenzoic acids such as 2-hydroxybenzoic acid, 3-hydroxybenzoic acid, and 4-hydrosybenzoic acid, opr pyrocattechuic acid that are susceptible for subsequent oxygenative cleavage of the benzene ring. These terminal aromatic intermediates are further degraded to cellular components through ortho-and/or meta-cleavage pathways and finally lead to the formation of constituents of the TCA cycle. Many groups of microorganisms have been isolated as degraders of hydroxybenzoic acids with diverse drgradative routes and specific enzymes involved in their metabolic pahtway. Various microorganisms carry out unusual non-oxidative decarboxylation of aromatic acids and convert them to respective phenols which have been documented. Futher, Pseudomonas and Bacillus spp. are the most ubiquitous microorganisms, being the principal components of microflora of most soil and water enviroments.

• Korean Journal of Mathematics
• /
• 제27권3호
• /
• pp.613-627
• /
• 2019

Consider a connected molecular graph G = (V, E) where V is the set of vertices and E is the set of edges. In G, vertices represent the atoms and edges represent the covalent bonds between atoms. In graph G, every edge (say) e = uv will be connected by two atoms u and v. The edge Szeged index is a topological index which has been introduced by Ivan Gutman. In this paper, we have computed edge Szeged indices of a hydrocarbon family called Benzene ring and is denoted by $(BR)_{n{\times}n}$.

• 자연과학논문집
• /
• 제15권1호
• /
• pp.47-56
• /
• 2005

The substituent dependence of geometric distortion through the two independent electronic substituent effects is analyzed for mono-substituted benzene derivatives of $C_{2v}$. Based on resonance structures, quantitative relationships expressing the resonance and field/inductive contribution terms in bond distortions are derived. The calculated field-effect parts of $C_{ipso}$_$C_{ortho}$ ring bonds increase and decrease compared to benzene for electropositive and electronegative substituents respectively. The nonbonded axial distance, $C_{ipso}$....$C_{para'}$ decreases for electronegative substituents and increases for electropositive substituents. As the electronegativity increases, the distance $C_{ortho}$....$C_{ortho'}$ increases. With the $\pi$-donors, $C_{meta}$....$C_{meta'}$ nonbonded distances are shorter compared to the ones of benzene, and for $\pi$-acceptors, the are longer. Our model based on valence bond approach predicts that the average bond length determined the area of ring, and the sum of the angles <$C_{ortho}$_$C_{ispo}$_$C_{ortho}$ and <$C_{meta}$_$C_{para}$_$C_{meta}$ determines the axial distance.

• Archives of Pharmacal Research
• /
• 제2권2호
• /
• pp.99-110
• /
• 1979

The crystal structure of sulfapyridine, $C_{11}H_{11}N_{3}O_{2}S$, has been determined by X-ray diffraction method. The compound crystallizees in the monoclinic space group C2/c with a = 12, 80(4), b= 11.72(4), $c= 15.36(5){\AA}, {\beta}= 94(3)^{\circ}$and Z = 8. A total of 1133 observed reflections were collected by the Weissenberg method with CuKaradiation. Structure was solved by the heavy atom method and refined by isostropic block-diagonal least-squares method to the R value of 0.14. The nitrogen in the pyridine ring of sulfapyridine is associated with an extra-annular hydrogen. The C (benzene ring) S-N-C (pyridine ring) group adopts the gauche form with a fonformational angle of $71^{\circ}$. The benzene ring are inclined at angle of $84^{\circ}.to the pyridine ring plane. Sulfapyridine shows three different hydrogen bonding in the crystal. They are two N-H...O hydrogen bonds with the distance of 2.90 and 2.98${\AA}$ respectively, and on N-H...N with the distance of 3.06 ${\AA}$.

• 한국표면공학회:학술대회논문집
• /
• 한국표면공학회 2018년도 춘계학술대회 논문집
• /
• pp.124-124
• /
• 2018

Polydopamine은 수중 접착력, 친환경 접착제, nanoparticle absorption 등 다양한 특성으로 많이 연구되고 있는 소재이다. 본 연구에서는 dopamine을 이용하여 수중 금속을 흡착시키는 thin film을 제작하였다. 종래의 Polydopamine coating 방법으로 wet coating 이 사용되고 있다. 하지만 wet 방식의 경우 시간이 오래 걸릴 뿐만 아니라 in-line, roll to roll 방식을 적용하는 것이 어렵기 때문에 생산적이지 않다. 이에 본 연구에서는 Atmospheric Pressure Plasma(APP)를 이용 하여 Polydopamine-like film을 coating 하였다. APP의 경우 vacuum system, solution tank가 필요 없고 in-line, roll to roll 방식을 적용 할 수 있기 때문에 더 경제적이고 생산적인 공정이다. 또한 기존의 Plasma polymerization 방법은 Plasma energy가 높기 때문에 source의 분자구조가 바뀌거나 atom 단위로 분해된다. source의 분자구조가 바뀌는 "Atomic polymerization", Neiswender-Rosskamp Mechanism이 적용되면 wet 방식 coating한 film과는 다른 특성을 갖게 된다. 하지만 APP polymerization은 Plasma energy가 vacuum plasma 보다 매우 낮기 때문에 stile polymerization mechanism을 구현 하는데 적합 하다. stile polymerization mechanism은 Plasma 내부에서 polymer source를 분해 성장 시켜서 Polymer film 얻는 것이 아닌 source의 분자구조가 깨지지 않으면서 polymer growing 시키는 방법이다. dopamine source의 분자구조를 최대한 유지하려고 하는 이유는 metal absorption과 같은 특성이 dopamine chemical structure에 영향을 받기 때문이다. 많은 논문들에서 dopamine의 catechol group이 metal absorption, adhesion force에 영향을 주는 주요 인자라고 주장하고 있기 때문이다. 그래서 본 논문에서는 Dopamine source의 형태를 보존하면서 Polymerization 하는 방법으로 APP process를 사용 하여 낮은 전압에서 Polydopamine-like film을 제작 하였다. APP system 의 Plasma 방전부 에 Dopamine source를 유입하기 위하여 본 논문에서는 Piezo Spray 방식을 사용 하였다. Dopamine을 evaporator 하는 것이 어렵고 chemical composition이 유사한 monomer를 사용해서 Plasma Polymerization으로 Dopamine 분자 구조를 재현하는 것도 어렵다. 그래서 본 연구에서는 Dopamine을 water에 immerse 하고 Dopamine solution을 mist 상태로 만들어서 Plasma discharge area에 유입하였다. 이러한 방법으로 만들어진 film은 Polydopamine film은 아니지만 Polydopamine film과 유사한 Chemical composition, chemical structure, metal absorption을 갖는 것을 FT-IR, SEM, XPS을 이용 하여 확인 하였다. Dopamine source의 보존에 대하여 명확하게 확인하기 위하여 FT-IR을 측정 하였다. 전압에 따른 Benzene ring, hydroxyl group의 비율을 확인 하였다. 낮은 전압으로 coating 된 Polydopamine-like film 일수록 hydroxyl group peak($3400{\sim}3000cm^{-1}$)과 비교하여 Benzene ring peak($1600{\sim}1580cm^{-1}$ and $1510{\sim}500cm^{-1}$)이 흡수를 더 많이 하는 것을 확인 할 수 있다. 이것은 Benzene ring이 파괴되지 않고 보존되는 것을 보여준다. Dopamine에서 Benzene ring은 absorption main factor인 catechol에 있는 chemical structure이다. 즉 Benzene ring peak이 높을수록 Catechol이 잘 보존 되었다는 의미 이다. Catechol의 보존은 absorption main factor가 보존 된다는 의미 이다. 이러한 Polydopamine-like film으로 As, Cr, Mg, Cu 200ppm solution에 대한 filtration 능력을 확인 하였다. As, Cr, Cu, Mg 의 제거율이 각각 약25%, 35%, 45%, 65%인 것을 확인 하였다. 이 수치는 시중에 판매되는 제품들과 비교했을 때 300%~500% 향상된 수치 이다.

• Bulletin of the Korean Chemical Society
• /
• 제19권11호
• /
• pp.1222-1227
• /
• 1998

The crystal structure of a benzene sorption complex of fully dehydrated Cd2+-exchanged zeolite X, Cd46Si100Al92O384·43C6H6 (a=24.880(6) Å), has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21 ℃. The crystal was prepared by ion exchange in a flowing stream of 0.05 M aqueous Cd(NO3)2 for 3 d, followed by dehydration at 400 ℃ and 2 x 10-6 Torr for 2 d, followed by exposure to about 92 Torr of benzene vapor at 22 ℃. The structure was determined in this atmosphere and refined to the final error indices R1=0.054 and Rw=0.066 with 561 reflections for which I > 3σ(I). In this structure, Cd2+ ions are found at four crystallographic sites: eleven Cd2+ ions are at site 1, at the centers of the double six-oxygen rings; six Cd2+ ions lie at site I', in the sodalite cavity opposite to the double six-oxygen rings; and the remaining 29 Cd2+ ions are found at two nonequivalent threefold axes of unit cell, sites Ⅱ' (in the sodalite cavity ) and site Ⅱ (in the supercage) with occupancies of 2 and 27 ions, respectively. Each of these Cd2+ ions coordinates to three framework oxylkens, either at 2.173(13) or 2.224(10) Å, respectively, and extends 0.37 Å into the sodalite unit or 0.60 Å into the supercage from the plane of the three oxygens to which it is bound. The benzene molecules are found at two distinct sites within the supercages. Twenty-seven benzenes lie on threefold axes in the large cavities where they interact facially with the latter 27 site-Ⅱ Cd2+ ions (Cd2+-benzene center=2.72 Å; occupancy=27 molecules/32 sites). The remaining sixteen benzene molecules are found in 12ring planes; occupancy=16 molecules/16 sites. Each hydrogen of these sixteen benzenes is ca. 2.8/3.0 Å from three 12-ring oxygens where each is stabilized by multiple weak electrostatic and van der Waals interactions with framework oxygens.

• Bulletin of the Korean Chemical Society
• /
• 제18권12호
• /
• pp.1245-1247
• /
• 1997