• Title/Summary/Keyword: Chemical compounds

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The Effects of Liquid Butadiene Rubber and Resins as Processing Aids on the Physical Properties of SSBR/Silica Compounds

  • Iz, Muhammet;Kim, Donghyuk;Hwang, Kiwon;Kim, Woong;Ryu, Gyeongchan;Song, Sanghoon;Kim, Wonho
    • Elastomers and Composites
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    • v.55 no.4
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    • pp.289-299
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    • 2020
  • Highly aromatic (HA) oils are common processing aids used in tire tread compounds. However, they often bleed and evaporate from the vulcanizates during tire use. Thus, the mechanical and dynamical properties of the tire decrease. To overcome this problem, we investigated nonfunctionalized liquid butadiene rubber (LBR-305, Kuraray) and center-functionalized liquid butadiene rubber (C-LqBR), polymerized by anionic polymerization. In addition to the liquid butadiene rubbers, p-tert-octylphenol (P-Resin) and C5 hydrocarbon (H-Resin) tackifier resins, which can induce entanglement of rubber compounds, were researched as a processing aid to solve the bleeding problem. Liquid butadiene rubbers have significantly reduced extraction loss by crosslinking with the main rubber chain. They have also increased the abrasion resistance and showed similar or better mechanical and dynamical properties against HA oils. However, resin compounds did not show differences in extraction loss compared to HA oil compounds; instead, they showed increased wet traction.

Drug-likeness and Oral bioavailability for Chemical Compounds of Medicinal Materials Constituting Oryeong-san (오령산 구성약재 성분의 Drug-likeness와 Oral bioavailability)

  • Kim, Sang-Kyun;Lee, Seungho
    • The Korea Journal of Herbology
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    • v.33 no.5
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    • pp.19-37
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    • 2018
  • Objectives : Oryeong-san was composed of Alismatis Rhizoma, Atractylodis Rhizoma Alba, Poria Sclerotium, Polyporus, Cinnamomi Cortex, and known to have hundreds of chemical compounds. The aim of this study was to screen chemical compounds constituting Oryeong-san with the drug-likeness and oral bioavailability from the analysis of their physicochemical properties. Methods : A list of chemical compounds of Oryeong-san was obtained from TM-MC(database of medicinal materials and chemical compounds in Northeast Asian traditional medicine). To remove redundant compounds, the SMILES (Simplified Molecular Input Line Entry System) strings of each compound were identified. All of the physicochemical properties for the compounds were calculated using the DruLiTo(Drug Likeness Tool). Drug-likeness was estimated by QED(Quantitative Estimate of Druglikeness) and OB(Oral bioavailability) was checked based on the Veber's rules. Results : A total of 475 compounds were obtained by eliminating duplication among 544 compounds of 5 medicinal materials. Analysis of the physicochemical properties revealed that the most common values were MW(molecular weight) 200~300 g/mol, ALOGP(octanol-water partition coefficient) 1~2, HBA(number of hydrogen bond acceptors) 0~1, HBD(number of hydrogen bond donors) 0, PSA(polar surface area) 0~50 angstrom, ROTB(number of rotatable bonds) 1, AROM(number of aromatic rings) 0, and ALERT(number of structural alerts) 1. QED had 93% of the values between 0.2 and 0.7, and OB had 90% of the value of TRUE. Conclusions : We in this paper screened the candidate active compounds of Oryeong-san using the QED and Veber's rules. In the future, we will use the screening results to analyze the mechanism of Oryeong-san based on systems pharmacology.

Efficient Synthesis of Spirobarbiturates and Spirothiobarbiturates Bearing Cyclopropane Rings by Rhodium(II)-Catalyzed Reactions of Cyclic Diazo Compounds

  • Wang, Xue;Lee, Yong Rok
    • Bulletin of the Korean Chemical Society
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    • v.34 no.6
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    • pp.1735-1740
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    • 2013
  • Rhodium(II)-catalyzed reactions of cyclic diazo compounds derived from barbituric acid and thiobarbituric acid with a variety of styrene moieties were examined. These reactions provide rapid synthetic routes to the preparations of spirobarbiturates and spirothiobarbiturates bearing cyclopropane rings.

Biological activities of lignin hydrolysate-related compounds

  • Lee, Si-Seon;Monnappa, Ajay Kalanjana;Mitchell, Robert J.
    • BMB Reports
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    • v.45 no.5
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    • pp.265-274
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    • 2012
  • Lignin hydrolysates contain many different chemical species, including ferulic acid, coumaric acid, vanillic acid, vanillin, syringaldehyde and furfural. From the perspective of biofuels, these compounds are problematic and can cause downstream loss of product if not removed prior to beginning the fermentative process. In contrast, a search for these compounds within the literature turns up many papers where the same compounds have beneficial properties pertaining to human health, including as antioxidants and in cancer prevention, or are involved in bacterial cell-to-cell signaling. Consequently, this article reviews the dual nature of these and other compounds found in lignin hydrolysates, highlighting both their detrimental and beneficial activities.

Synthesis and Characterisation of Hole Transporting Materials Based on N,N,N-Tris-[4-(Naphthalen-1-yl-phenylamino)Phenyl]-N,N,N-Triphenylbenzene-1,3,5-Triamine (N,N,N-Tris-[4-(Naphthalen-1-yl-phenylamino)Phenyl]-N,N,N-Triphenylbenzene-1,3,5-Triamine을 이용한 Hole Transporting 재료의 합성)

  • Mathew, Siji;Haridas, Karickal R.
    • Journal of the Korean Chemical Society
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    • v.54 no.6
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    • pp.717-722
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    • 2010
  • Two derivatives of star shaped compounds based on naphthylamine with symmetric trisubstituted benzene as core, methoxy and ethoxy as end substitutions are synthesized. The synthesized compounds are characterized by UV-visible, FT-IR and NMR spectrometric techniques. The electronic and thermal properties of the compounds are studied using cyclic voltametry (CV) and differential scanning calorimetry (DSC) respectively. The data's obtained have similarity with the arylamines that have been already used in optoelectronic devices. So these compounds are interesting materials for applications in such devices.

Synthesis and Properties of Thermotropic Compounds with Two Terminal Mesogenic Units and a Central Spacer Ⅲ. Homologous Series of $\alpha,\omega$-Bis[4-(p-nitrobenzoyloxy)phenoxy]alkanes

  • Jin, Jung-Il;Kang, Joo-Sam;Jo, Byung-Wook;Lenz, Robert W.
    • Bulletin of the Korean Chemical Society
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    • v.4 no.4
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    • pp.176-180
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    • 1983
  • A series of new liquid crystalline compounds having two identical mesogenic terminal units, the 4-(p-nitrobenzoyloxy)phenoxy group, attached to both ends of a central polymethylene spacer of various lengths was prepared. The mesomorphic properties of the compounds were investigated by differential scanning calorimetry (DSC) and by polarizing microscopy. Almost all of the compounds formed monotropic nematic mesophases. The trimethylene spacer compound was found to be non-liquid crystalline, while the one with the hexamethylene central spacer was enantiotropic. A thermodynamic analysis was performed for the phase transitions of the compounds and the results are discussed in relation to their liquid crystal properties.

Bioactive Metabolites Produced by Pseudonocardia endophytica VUK-10 from Mangrove Sediments: Isolation, Chemical Structure Determination and Bioactivity

  • Mangamuri, Usha Kiranmayi;Vijayalakshmi, Muvva;Poda, Sudhakar;Manavathi, Bramanandam;Bhujangarao, Ch.;Venkateswarlu, Y.
    • Journal of Microbiology and Biotechnology
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    • v.25 no.5
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    • pp.629-636
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    • 2015
  • Chemical investigation of the actinobacterial isolate Pseudonocardia endophytica VUK-10 has led to the segregation of two known bioactive compounds, namely 4-(2-acetamidoethyl) phenyl acetate and 4-((1, 4-dioxooctahydropyrrolo [1, 2-a] pyrazin-3-yl) methyl) phenyl acetate. The strain was isolated from a sediment sample of the Nizampatnam mangrove ecosystem, south coastal Andhra Pradesh, India. The chemical structure of the active compounds was established on the basis of spectroscopic analysis, including 1H NMR and 13C NMR spectroscopies, FTIR, and EIMS. The antimicrobial and cytotoxic activities of the bioactive compounds produced by the strain were tested against opportunistic and pathogenic bacteria and fungi and on MDA-MB-231, OAW, HeLa, and MCF-7 cell lines. The compounds exhibited antimicrobial activities against gram-positive and gram-negative bacteria and fungi and also showed potent cytotoxic activity against MDA-MB-231, OAW, HeLa, and MCF-7 cell lines. This is the first example for this class of bioactive compounds isolated from Pseudonocardia of mangrove origin.

Wear Particulate Matters and Physical Properties of Silica filled ENR/BR Tread Compounds according to the BR Contents

  • Ryu, Gyeongchan;Kim, Donghyuk;Song, Sanghoon;Lee, Hyun Hee;Ha, Jin Uk;Kim, Wonho
    • Elastomers and Composites
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    • v.56 no.4
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    • pp.243-249
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    • 2021
  • The demand for truck bus radial (TBR) tires with enhanced fuel efficiency and wear resistance have grown in recent years. In addition, as the issue of particulate matter and air pollution increases, efforts are being made to reduce the generation of particulate matter. In this study, we investigated the effect of varying the content of butadiene rubber (BR) on the properties of the rubber compounds and the amount of particulate matter in the TBR tire tread compound. Furthermore, we utilized carbon black in the NR/BR blend compounds owing to its excellent compatibility, and we used silica in the ENR-25/BR blend compounds because it can interact chemically with epoxide groups. The NR/BR blend compounds and the ENR-25/BR blend compounds were evaluated by varying their BR content between 20 phr and 30 phr. The results showed that the ENR-25/BR blend compounds had superior wear resistance than the NR/BR blend compounds. This was caused by the interaction between silica and ENR. In addition, it was confirmed that the increased wear resistance as the BR content increased. Furthermore, compared to the NR/BR blend compounds, ENR-25/BR blend compounds exhibited a lower tan 𝛿 value at 60℃ because silica was used as filler. This indicates a higher fuel efficiency. The measurement results for wear particulate matter showed that as increasing the BR content resulted in generation of less wear particulate matter. This was caused by the increased wear resistance. Moreover, the ENR-25/BR blend compounds with excellent filler-rubber interaction exhibited lower quantities of generated wear particulate matters as compared to the NR/BR blend compounds.

Effect of Co-agent on Cure, Mechanical Properties of NBR Compounds in Peroxide System

  • Seo, Eun Ho;Kim, Gi Hong;Kim, Do Young;Lee, Dong Won;Seo, Kwan Ho
    • Elastomers and Composites
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    • v.52 no.3
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    • pp.187-193
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    • 2017
  • In this study, the effect of the cure, mechanical properties, and oil resistance of NBR (acrylonitrile-butadiene rubber)/peroxide compounds were investigated for various co-agents. NBR compounds were characterized using a swelling test, a rheometer (MDR), and a compression set test. Mechanical properties were tested with original compounds, heated in air and exposed to the ASTM No.1, IRM 903 oil. NBR compounds were prepared using peroxide as the crosslinking agent. Trimethylolpropane trimethacrylate (TMPTMA), triallyl isocyanurate (TAIC), and 1,2-polybutadiene (HVPBD) were used as co-agents. The NBR compounds containing TMPTMA and HVPBD lowered the scorch time, while the addition of TAIC did not significantly change the scorch time. NBR compounds containing TMPTMA increased the crosslinking density, while the addition of TAIC and HVPBD lowered the crosslinking density. Moreover, the addition of TMPTMA improved the oil resistance of the NBR compound.