• Title/Summary/Keyword: inorganic oxide

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Electronic Structure and Properties of High-Tc Superconductor Y-Ba-Cu-O. 1. Oxygen-deficiency in the $YBa_2Cu_3O_x $Superconductor ($6{\leq}{\times}{\leq}7$)

  • U-Hyon Paek;U-Sung Choi;Kee-Hag Lee;Chang-Hong Kim
    • Bulletin of the Korean Chemical Society
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    • v.10 no.6
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    • pp.504-509
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    • 1989
  • The effect of oxygen-deficiency on the charge distributions and orbital energies for small copper oxide clusters representing the superconducting materials $YBa_2Cu_3O_x (6{\leq}x{\leq}7)$ were investigated by the extended Huckel molecular orbital (EHMO) method with the tight-binding model. Our calculations show +3 oxidation state of Cu(1) in the $CuO_3$ chain and +2 or +1 of Cu(2) in the $CuO_2$ layers for $YBa_2Cu_3O_7$ with the nominal charge of $Cu_3$ = +7 (or +5), while for $YBa_2Cu_3O_6$ +1 oxidation state of Cu(1) and +3 (or +2) of Cu(2) in the $CuO_2$ layers with the nominal charge of $Cu_3$ = +7 (or +5). For $Cu_3O_{12}$ cluster representing $YBa_2Cu_3O_7$ with the nominal charge of $Cu_3$ = +7 the Cu(2) $d_{{x^2}-{y^2}}$ orbitals in the $CuO_2$ layers is a typical Jahn-Teller $d^9$ system with the partial hole and the Cu(1) $d_{{_z2}-{_y2}}$ orbital in the $CuO_3$ chain contains hole occupancy. For $Cu_3O_{10}$ cluster representing $YBa_2Cu_3O_6$ with the nominal charge of Cu = +5 the orbital character of the highest partially occupied MO (HPOMO) and the lowest completely unoccupied MO (LCUMO) of $Cu_3O_{12}$ representing $YBa_2Cu_3O_7$ with the nominal charge of $Cu_3$ = +7 is reversed, and the character of Cu(1) $d{{x^2}-{y^2}}$ orbital of LCUMO of the $Cu_3O_{12} $cluster is vanished. It is suggested that the local crystal field environment of Cu(1) by the oxygens in the Cu(1) chain may play a vital role in conductivity and superconductivity, either alone or through cooperative electronic coupling with the Cu(2) layers in $YBa_2Cu_3O_7.$.

The Effect of Blue Light Interception and SPF Boosting of Sunscreen Prepared with Bandgap-controlled TiO2 (밴드갭이 제어된 TiO2 를 이용한 자외선 차단제의 블루라이트 차단 및 SPF 부스팅 효과)

  • Sung Eun Wang;Jung Kyung Yoon;Gui Su Chung;Sung Bong Kye;Ho Sik Rho;Dae Soo Jung
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.49 no.2
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    • pp.159-167
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    • 2023
  • Titanium dioxide (TiO2) is commonly used in sunscreen formulations to protect the skin surface and prevent the penetration of harmful ultraviolet (UV) rays by the physical scattering action of light. However, a disadvantage of using TiO2 is that it can cause white turbidity when used on skin due to its inactive mineral ingredient. In addition, when TiO2 particles are reduced to nanosize to eliminate opacity, they can increase the transmittance of visible light and reduce whitening, but may lead to serious skin problems, such as allergic inflammation. To overcome these issues, the bandgap of TiO2 was controlled by adjusting the amount of oxygen defect and nitrogen amount, resulting in color TiO2 tailored to the skin. This innovative technology can reduce the whitening phenomenon and effectively block blue light, which is known to cause skin aging by inducing active oxygen. The bandgap controlled TiO2 compounds proposed in this study are hypoallergenic, broad-spectrum, and environmentally friendly. Furthermore, these compounds have been shown to significantly enhance sun protection factor (SPF) of sunscreens, demonstrating their compatibility with blue light blocking products.

Chemistry of mist deposition of organic polymer PEDOT:PSS on crystalline Si

  • Shirai, Hajime;Ohki, Tatsuya;Liu, Qiming;Ichikawa, Koki
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.388-388
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    • 2016
  • Chemical mist deposition (CMD) of poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) was investigated with cavitation frequency f, solvent, flow rate of nitrogen, substrate temperature $T_s$, and substrate dc bias $V_s$ as variables for efficient PEDOT:PSS/crystalline (c-)Si heterojunction solar cells (Fig. 1). The high-speed camera and differential mobility analysis characterizations revealed that average size and flux of PEDOT:PSS mist depend on f, solvent, and $V_s$. The size distribution of mist particles including EG/DI water cosolvent is also shown at three different $V_s$ of 0, 1.5, and 5 kV for a f of 3 MHz (Fig. 2). The size distribution of EG/DI water mist without PEDOT:PSS is also shown at the bottom. A peak maximum shifted from 300-350 to 20-30 nm with a narrow band width of ~150 nm for PEDOT:PSS solution, whose maximum number density increased significantly up to 8000/cc with increasing $V_s$. On the other hand, for EG/water cosolvent mist alone, the peak maximum was observed at a 72.3 nm with a number density of ~700/cc and a band width of ~160 nm and it decreased markedly with increasing $V_s$. These findings were not observed for PEDOT:PSS/EG/DI water mist. In addition, the Mie scattering image of PEDOT:PSS mist under white bias light was not observed at $V_s$ above 5 kV, because the average size of mist became smaller. These results imply that most of solvent is solvated in PEDOT:PSS molecule and/or solvent is vaporized. Thus, higher f and $V_s$ generate preferentially fine mist particle with a narrower band width. Film deposition occurred when $V_s$ was impressed on positive to a c-Si substrate at a Ts of $30-40^{\circ}C$, whereas no deposition of films occurred on negative, implying that negatively charged mist mainly provide the film deposition. The uniform deposition of PEDOT:PSS films occurred on textured c-Si(100) substrate by adjusting $T_s$ and $V_s$. The adhesion of CMD PEDOT:PSS to c-Si enhanced by $V_s$ conspicuously compared to that of spin-coated film. The CMD PEDOT:PSS/c-Si solar cell devices on textured c-Si(100) exhibited a ${\eta}$ of 11.0% with the better uniformity of the solar cell parameters. Furthermore, ${\eta}$ increased to 12.5% with a $J_{sc}$ of $35.6mA/cm^2$, a $V_{oc}$ of 0.53 V, and a FF of 0.67 with an antireflection (AR) coating layer of 20-nm-thick CMD molybdenum oxide $MoO_x$ (n= 2.1) using negatively charged mist of 0.1 wt% 12 Molybdo (VI) phosphoric acid n-Hydrate) $H_3(PMo_{12}O_40){\cdot}nH_2O$ in methanol. CMD. These findings suggest that the CMD with negatively charged mist has a great potential for the uniform deposition of organic and inorganic on textured c-Si substrate by adjusting $T_s$ and $V_s$.

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Stabilization/Solidification of Radioactive LiCl-KCl Waste Salt by Using SiO2-Al2O3-P2O5 (SAP) Inorganic Composite: Part 2. The Effect of SAP Composition on Stabilization/Solidification (SiO2-Al2O3-P2O5 (SAP) 무기복합체를 이용한 LiCl-KCl 방사성 폐기물의 안정화/고형화: Part 2. SAP조성에 따른 안정화/고형화특성 변화)

  • Ahn, Soo-Na;Park, Hwan-Seo;Cho, In-Hak;Kim, In-Tae;Cho, Yong-Zun
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.10 no.1
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    • pp.27-36
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    • 2012
  • Metal chloride waste is generated as a main waste streams in a series of electrolytic processes of a pyrochemical process. Different from carbonate or nitrate salt, metal chloride is not decomposed into oxide and chlorine but it is just vaporized. Also, it has low compatibility with conventional silicate glasses. Our research group adapted the dechlorination approach for the immobilization of waste salt. In this study, the composition of SAP ($SiO_2-Al_2O_3-P_2O_5$) was adjusted to enhance the reactivity and to simplify the solidification process as a subsequent research. The addition of $Fe_2O_3$ into the basic SAP decreased the SAP/Salt ratio in weight from 3 for SAP 1071 to 2.25 for M-SAP( Fe=0.1). The experimental results indicated that the addition of $Fe_2O_3$ increased the reactivity of M-SAP with LiCl-KCl but the reactivity gradually decreased above Fe=0.1. Also, introducing $B_2O_3$ into M-SAP requires no glass binder for the consolidation of reaction products. U-SAP ($SiO_2-Al_2O_3-Fe_2O_3-P_2O_5-B_2O_3$) could effectively dechlorinate the LiCl-KCl waste and its reaction product could be consolidated as a monolithic form without a glass binder. The leaching test result indicated that U-SAP 1071 was more durable than other SAPs wasteform. By using U-SAP, 1 g of waste salt could generated 3~4 g of wasteform for final disposal. The final volume would be about 3~4 times lower than the glass-bonded sodalite. From these results, it could be concluded that the dechlorination approach using U-SAP would be one of prospective methods to manage the volatile waste salt.

Metal Speciation in the Lagoon Sediment Interstitial Water from the Northeast Coast, Korea (동해안 석호 퇴적물의 간극수에 함유된 금속류의 화학종 분포)

  • Kim, Dong-Jin;Kim, Min-Chul;Yoo, Jin-Yull;Kwon, Sang-Yong;Seo, Yong-Chan;Yang, Jae-E.;Oh, Seung-Yoon;Ok, Yong-Sik
    • Journal of Korean Society of Environmental Engineers
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    • v.30 no.7
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    • pp.712-720
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    • 2008
  • Sediment and interstitial water samples from ten lagoons in the Northeastern coastal part of South Korea were analyzed to obtain the concentrations of metals and inorganic ligand. These data, coupled with pH and ionic strength, were used to compute the aqueous speciation of the metals in the interstitial water using the MINTEQA2 equilibrium program. The K and Na were almost entirely present as the free aqua ions, but Co, Cd, Ni, Pb and Zn were existed as various metal-ligand complexes. Metals such as Al, As, and Cr formed 3$\sim$4 metal-ligand complexes. In the interstitial water with high chloride concentrations, almost all of the metals were dominated by free aqua ions. Metals of Cd, Co, Ni, Pb and Zn were bound as chloride-metal complexes of the type M$^{x+}$ + xCl$^-$, and Fe, Mn and Mg were dominated by sulfate equilibria(M$^{2+}$ + SO$_4{^{2-}}$). Hg(II) was speciated as HgCl$_2$(aq), HgCl$_3{^-}$ and HgCl$_4{^-}$. However, in the interstitial water with low chloride concentrations, Hg(II) and Cd(II) were existed as chloride-metal complexes, metals of Cu, Mg, Mn, Ni, Pb and Zn were dominated by sulfate equilibria, and the speciation of Fe(II) was bound as Fe(OH)$_2{^+}$, Fe(OH)$_3$(aq). However, Al, As and Cr were dominated by hydroxy-metal and oxide-metal species in nearly all of the lagoons.

Investigation on Characteristics of High PM2.5 Pollution Occurred during October 2015 in Gwangju (광주 지역에서 2015년 10월에 발생한 PM2.5 고농도 사례 특성 분석)

  • Yu, Geun-Hye;Park, Seung-Shik;Jung, Sun A;Jo, Mi Ra;Lim, Yong Jae;Shin, Hye Jung;Lee, Sang Bo;Ghim, Young Sung
    • Journal of Korean Society for Atmospheric Environment
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    • v.34 no.4
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    • pp.567-587
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    • 2018
  • A severe haze event occurred in October 2015 in Gwangju, Korea. In this study, the driving chemical species and the formation mechanisms of $PM_{2.5}$ pollution were investigated to better understand the haze event. Hourly concentrations of $PM_{2.5}$, organic and elemental carbon, water-soluble ions, and elemental constituents were measured at the air quality intensive monitoring station in Gwangju. The haze event occurred was attributed to a significant contribution (72.3%) of secondary inorganic species concentration to the $PM_{2.5}$, along with the contribution of organic aerosols that were strongly attributed to traffic emissions over the study site. MODIS images, weather charts, and air mass backward trajectories supported the significant impact of long-range transportation (LTP) of aerosol particles from northeastern China on haze formation over Gwangju in October 2015. The driving factor for the haze formation was stagnant atmospheric flows around the Korean peninsula, and high relative humidity (RH) promoted the haze formation at the site. Under the high RH conditions, $SO{_4}^{2-}$ and $NO_3{^-}$ were mainly produced through the heterogenous aqueous-phase reactions of $SO_2$ and $NO_2$, respectively. Moreover, hourly $O_3$ concentration during the study period was highly elevated, with hourly peaks ranging from 79 to 95ppb, suggesting that photochemical reaction was a possible formation process of secondary aerosols. Over the $PM_{2.5}$ pollution, behavior and formation of secondary ionic species varied with the difference in the impact of LTP. Prior to October 19 when the influence of LTP was low, increasing rate in $NO_3{^-}$ was greater than that in $NO_2$, but both $SO_2$ and $SO{_4}^{2-}$ had similar increasing rates. While, after October 20 when the impact of haze by LTP was significant, $SO{_4}^{2-}$ and $NO_3{^-}$ concentrations increased significantly more than their gaseous precursors, but with greater increasing rate of $NO_3{^-}$. These results suggest the enhanced secondary transformation of $SO_2$ and $NO_2$ during the haze event. Overall, the result from the study suggests that control of anthropogenic combustion sources including vehicle emissions is needed to reduce the high levels of nitrogen oxide and $NO_3{^-}$ and the high $PM_{2.5}$ pollution occurred over fall season in Gwangju.

Studies on the Mechanism of Varietal Resistance of Rice to the Brown Planthopper(Nilaparvata lugens $ST{\AA}L$ (벼멸구에 대한 수도품종(水稻品種)의 저항성기작(抵抗性機作)에 관(關)한 연구(硏究))

  • Kim, J.W.;Choi, S.Y.;Park, J.S.
    • Korean journal of applied entomology
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    • v.24 no.2 s.63
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    • pp.51-60
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    • 1985
  • This paper was performed to study the nature of varietal resistance of some Korean-new rice cultivars to the brown planthopper (BPH), Nilaparvata lugens ($ST{\AA}L$). The rice cultivars tested were Cheongcheong, Gaya, Hangangchal, Samgang, Nampoong and Yeongpoong which have been reported as having resistant genes for the BPH. The check varieties were Jinheung, Sangpoong and Chucheong for susceptible and IR-36 for resistant. The factors studied were referred to the seedling responses, preference in feeding and oviposition of BPH, antibiosis (nymphal development, adult emergence and sex ratio, adult body weight, population build-up, feeding amount and amylase activity), and chemical composition (inorganic components, chlorophyll contents, cell wall components, amino acids and esterase isozymes) of leaf- sheath and/or roots of rice plants. In conclusion, the natures of varietal resistance of rice cultivars to the BPH were not only correlated with the resistant reaction of rice plant, but also they were related with the non preference in feeding and oviposition and those resistant cultivars had the antibiotic effects to the insects. Their antibiotic effects of rice cultivars to the BPH would be related with some of the chemical components of rice plants, such as the contents of magnesium oxide (MgO), and chlorophyll and the different esterase isozymes.

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Study on Contents of Paeoniflorin and Inorganic Components in Paeony Roots (시판(市販) 작약(芍藥)의 Paeoniflorin 및 무기성분(無機成分) 함량(含量))

  • Chung, Sang-Hwan;Suh, Dong-Hwan;Park, No-Kwuan;Lee, Suk-Hee;Kim, Ki-Jae;Lee, Kwang-Seok;Choi, Boo-Sul;Kang, Gaung-Hee
    • Korean Journal of Medicinal Crop Science
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    • v.1 no.2
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    • pp.178-183
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    • 1993
  • This study was carried out to investigate the contents of ash and inorganicelements in the herbaceous paeony roots collected from the markets of 9 regions in Korea. The contents of paeoniflorin ranged from 2.14% to 3.7%, and the average was 2.87%. The mean contents of ash was 4.2% and acid insoluble ash content was 0.55%. Total nitrogen of herbaceous paeony roots was 0.7%, phosphorus 0.69%, potassium 0.73%, calcium monoxide 1.02% and ferric oxide 82.15ppm respectively. The content of zinc ranged from 19.80ppm to 103.02ppm and the average was 34.59ppm ; this value showed some differences than other elements were, and the mean content of magnesium was 0.25%. The cadmium content showed 0.31ppm copper 4.95ppm, and plumbum 20.47ppm respectively. As above results, we could say that there was no health problems with local products, if we use a the herb medicine.

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Sesquiterpenoids Bioconversion Analysis by Wood Rot Fungi

  • Lee, Su-Yeon;Ryu, Sun-Hwa;Choi, In-Gyu;Kim, Myungkil
    • 한국균학회소식:학술대회논문집
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    • 2016.05a
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    • pp.19-20
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    • 2016
  • Sesquiterpenoids are defined as $C_{15}$ compounds derived from farnesyl pyrophosphate (FPP), and their complex structures are found in the tissue of many diverse plants (Degenhardt et al. 2009). FPP's long chain length and additional double bond enables its conversion to a huge range of mono-, di-, and tri-cyclic structures. A number of cyclic sesquiterpenes with alcohol, aldehyde, and ketone derivatives have key biological and medicinal properties (Fraga 1999). Fungi, such as the wood-rotting Polyporus brumalis, are excellent sources of pharmaceutically interesting natural products such as sesquiterpenoids. In this study, we investigated the biosynthesis of P. brumalis sesquiterpenoids on modified medium. Fungal suspensions of 11 white rot species were inoculated in modified medium containing $C_6H_{12}O_6$, $C_4H_{12}N_2O_6$, $KH_2PO_4$, $MgSO_4$, and $CaCl_2$ for 20 days. Cultivation was stopped by solvent extraction via separation of the mycelium. The metabolites were identified as follows: propionic acid (1), mevalonic acid lactone (2), ${\beta}$-eudesmane (3), and ${\beta}$-eudesmol (4), respectively (Figure 1). The main peaks of ${\beta}$-eudesmane and ${\beta}$-eudesmol, which were indicative of sesquiterpene structures, were consistently detected for 5, 7, 12, and 15 days These results demonstrated the existence of terpene metabolism in the mycelium of P. brumalis. Polyporus spp. are known to generate flavor components such as methyl 2,4-dihydroxy-3,6-dimethyl benzoate; 2-hydroxy-4-methoxy-6-methyl benzoic acid; 3-hydroxy-5-methyl phenol; and 3-methoxy-2,5-dimethyl phenol in submerged cultures (Hoffmann and Esser 1978). Drimanes of sesquiterpenes were reported as metabolites from P. arcularius and shown to exhibit antimicrobial activity against Gram-positive bacteria such as Staphylococcus aureus (Fleck et al. 1996). The main metabolites of P. brumalis, ${\beta}$-Eudesmol and ${\beta}$-eudesmane, were categorized as eudesmane-type sesquiterpene structures. The eudesmane skeleton could be biosynthesized from FPP-derived IPP, and approximately 1,000 structures have been identified in plants as essential oils. The biosynthesis of eudesmol from P. brumalis may thus be an important tool for the production of useful natural compounds as presumed from its identified potent bioactivity in plants. Essential oils comprising eudesmane-type sesquiterpenoids have been previously and extensively researched (Wu et al. 2006). ${\beta}$-Eudesmol is a well-known and important eudesmane alcohol with an anticholinergic effect in the vascular endothelium (Tsuneki et al. 2005). Additionally, recent studies demonstrated that ${\beta}$-eudesmol acts as a channel blocker for nicotinic acetylcholine receptors at the neuromuscular junction, and it can inhibit angiogenesis in vitro and in vivo by blocking the mitogen-activated protein kinase (MAPK) signaling pathway (Seo et al. 2011). Variation of nutrients was conducted to determine an optimum condition for the biosynthesis of sesquiterpenes by P. brumalis. Genes encoding terpene synthases, which are crucial to the terpene synthesis pathway, generally respond to environmental factors such as pH, temperature, and available nutrients (Hoffmeister and Keller 2007, Yu and Keller 2005). Calvo et al. described the effect of major nutrients, carbon and nitrogen, on the synthesis of secondary metabolites (Calvo et al. 2002). P. brumalis did not prefer to synthesize sesquiterpenes under all growth conditions. Results of differences in metabolites observed in P. brumalis grown in PDB and modified medium highlighted the potential effect inorganic sources such as $C_4H_{12}N_2O_6$, $KH_2PO_4$, $MgSO_4$, and $CaCl_2$ on sesquiterpene synthesis. ${\beta}$-eudesmol was apparent during cultivation except for when P. brumalis was grown on $MgSO_4$-free medium. These results demonstrated that $MgSO_4$ can specifically control the biosynthesis of ${\beta}$-eudesmol. Magnesium has been reported as a cofactor that binds to sesquiterpene synthase (Agger et al. 2008). Specifically, the $Mg^{2+}$ ions bind to two conserved metal-binding motifs. These metal ions complex to the substrate pyrophosphate, thereby promoting the ionization of the leaving groups of FPP and resulting in the generation of a highly reactive allylic cation. Effect of magnesium source on the sesquiterpene biosynthesis was also identified via analysis of the concentration of total carbohydrates. Our current study offered further insight that fungal sesquiterpene biosynthesis can be controlled by nutrients. To profile the metabolites of P. brumalis, the cultures were extracted based on the growth curve. Despite metabolites produced during mycelia growth, there was difficulty in detecting significant changes in metabolite production, especially those at low concentrations. These compounds may be of interest in understanding their synthetic mechanisms in P. brumalis. The synthesis of terpene compounds began during the growth phase at day 9. Sesquiterpene synthesis occurred after growth was complete. At day 9, drimenol, farnesol, and mevalonic lactone (or mevalonic acid lactone) were identified. Mevalonic acid lactone is the precursor of the mevalonic pathway, and particularly, it is a precursor for a number of biologically important lipids, including cholesterol hormones (Buckley et al. 2002). Farnesol is the precursor of sesquiterpenoids. Drimenol compounds, bi-cyclic-sesquiterpene alcohols, can be synthesized from trans-trans farnesol via cyclization and rearrangement (Polovinka et al. 1994). They have also been identified in the basidiomycota Lentinus lepideus as secondary metabolites. After 12 days in the growth phase, ${\beta}$-elemene caryophyllene, ${\delta}$-cadiene, and eudesmane were detected with ${\beta}$-eudesmol. The data showed the synthesis of sesquiterpene hydrocarbons with bi-cyclic structures. These compounds can be synthesized from FPP by cyclization. Cyclic terpenoids are synthesized through the formation of a carbon skeleton from linear precursors by terpene cyclase, which is followed by chemical modification by oxidation, reduction, methylation, etc. Sesquiterpene cyclase is a key branch-point enzyme that catalyzes the complex intermolecular cyclization of the linear prenyl diphosphate into cyclic hydrocarbons (Toyomasu et al. 2007). After 20 days in stationary phase, the oxygenated structures eudesmol, elemol, and caryophyllene oxide were detected. Thus, after growth, sesquiterpenes were identified. Per these results, we showed that terpene metabolism in wood-rotting fungi occurs in the stationary phase. We also showed that such metabolism can be controlled by magnesium supplementation in the growth medium. In conclusion, we identified P. brumalis as a wood-rotting fungus that can produce sesquiterpenes. To mechanistically understand eudesmane-type sesquiterpene biosynthesis in P. brumalis, further research into the genes regulating the dynamics of such biosynthesis is warranted.

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