• Title/Summary/Keyword: Bond Properties

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Quantum Chemical Calculations of the Effect of Si-O Bond Length on X-ray Raman Scattering Features for MgSiO3 Perovskite (양자화학계산을 이용한 Si-O 결합길이가 MgSiO3 페로브스카이트의 X-선 Raman 산란 스펙트럼에 미치는 영향에 대한 연구)

  • Yi, Yoo Soo;Lee, Sung Keun
    • Journal of the Mineralogical Society of Korea
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    • v.27 no.1
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    • pp.1-15
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    • 2014
  • Probing the electronic structures of crystalline Mg-silicates at high pressure is essential for understanding the various macroscopic properties of mantle materials in Earth's interior. Quantum chemical calculations based on the density functional theory are used to explore the atomic configuration and electronic structures of Earth materials at high pressure. Here, we calculate the partial density of states (PDOS) and O K-edge energy-loss near-edge structure (ELNES) spectra for $MgSiO_3$ perovskite at 25 GPa and 120 GPa using the WIEN2k program based on the full-potential linearized projected augmented wave (FP-LPAW) method. The calculated PDOS and O K-edge ELNES spectra for $MgSiO_3$ Pv show significant pressure-induced changes in their characteristic spectral features and relative peak intensity. These changes in spectral features of $MgSiO_3$ Pv indicate that the pressure-induced changes in local atomic configuration around O atoms such as Si-O, O-O, and Mg-O length can induce the significant changes on the local electronic structures around O atoms. The result also indicates that the significant changes in O K-edge features can results from the topological densification at constant Si coordination number. This study can provide a unique opportunity to understand the atomistic origins of pressure-induced changes in local electronic structures of crystalline and amorphous $MgSiO_3$ at high pressure more systematically.

Identification of Novel Psychrotolerant Bacterial Strain and Production of $\beta-Galactosidase$ (새로운 저온 내성세균의 동정과 $\beta-Galactosidase$ 생산)

  • Park, Jeong-Woon;Yoo, Jae-Soo;Roh, Dong-Hyun
    • Korean Journal of Microbiology
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    • v.42 no.1
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    • pp.40-46
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    • 2006
  • Galactose joined to glucose by a $\beta(1\rightarrow4)$ glycosidic bond makes lactose and this disaccharide is rich in milk. It is known that lacotse is hydrolyzed to each monomeric sugar by either lactase in human or $\beta-galactosidase$ in bacteria. Ingestion of milk by lactase-deficient persons causes a temporary diarrhea and subsequent chronic diarrhea results in colitis with chronic inflammation. We isolated a $\beta-galactosidase$ producing psycrotolerant strain AS-20 from near cattle shed and investigated the growth at various temperature conditions. Whereas Escherichia coli strains did not grow at $10^{\circ}C$, the AS-20 strain could grow well at this low temperature and showed optimal growth at $30^{\circ}C$. The isolated strain was identified as 97% Hafnia alvei by biochemical properties. This strain could ferment glucose, lacotse, maltose, mannitol, xylose, ONPG, rhamanose and L-arabinose, and decarboxylate lysin and ornithine. To confirm the identity of isolated strain we amplified 16S rDNA by PCR and searched similarity of the 1426 bp DNA sequcence with Genbank database. The strain AS-20 showed 99% similarity with Hafnia alvei. The activity of $\beta-galactosidase$ was 1.5 times higher when the cell was grown at 10 or $20^{\circ}C$ than at $30^{\circ}C$. The highest enzyme activity of AS-20 was also much higher than that of E. coli, which was grown at $30^{\circ}C$.

Evaluation of Tensions and Prediction of Deformations for the Fabric Reinforeced -Earth Walls (섬유 보강토벽체의 인장력 평가 및 변형 예측)

  • Kim, Hong-Taek;Lee, Eun-Su;Song, Byeong-Ung
    • Geotechnical Engineering
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    • v.12 no.4
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    • pp.157-178
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    • 1996
  • Current design methods for reinforced earth structures take no account of the magnitude of the strains induced in the tensile members as these are invariably manufactured from high modulus materials, such as steel, where straits are unlikely to be significant. With fabrics, however, large strains may frequently be induced and it is important to determine these to enable the stability of the structure to be assessed. In the present paper internal design method of analysis relating to the use of fabric reinforcements in reinforced earth structures for both stress and strain considerations is presented. For the internal stability analysis against rupture and pullout of the fabric reinforcements, a strain compatibility analysis procedure that considers the effects of reinforcement stiffness, relative movement between the soil and reinforcements, and compaction-induced stresses as studied by Ehrlich 8l Mitchell is used. I Bowever, the soil-reinforcement interaction is modeled by relating nonlinear elastic soil behavior to nonlinear response of the reinforcement. The soil constitutive model used is a modified vertsion of the hyperbolic soil model and compaction stress model proposed by Duncan et at., and iterative step-loading approach is used to take nonlinear soil behavior into consideration. The effects of seepage pressures are also dealt with in the proposed method of analy For purposes of assessing the strain behavior oi the fabric reinforcements, nonlinear model of hyperbolic form describing the load-extension relation of fabrics is employed. A procedure for specifying the strength characteristics of paraweb polyester fibre multicord, needle punched non-woven geotHxtile and knitted polyester geogrid is also described which may provide a more convenient procedure for incorporating the fablic properties into the prediction of fabric deformations. An attempt to define improvement in bond-linkage at the interconnecting nodes of the fabric reinforced earth stracture due to the confining stress is further made. The proposed method of analysis has been applied to estimate the maximum tensions, deformations and strains of the fabric reinforcements. The results are then compared with those of finite element analysis and experimental tests, and show in general good agreements indicating the effectiveness of the proposed method of analysis. Analytical parametric studies are also carried out to investigate the effects of relative soil-fabric reinforcement stiffness, locked-in stresses, compaction load and seepage pressures on the magnitude and variation of the fabric deformations.

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In vitro study of microleakage of endodontically treated teeth restored with different adhesive systems and fiber-reinforced posts (다양한 접착시스템을 이용하여 섬유 강화형 포스트로 수복한 치아에서의 미세누출에 관한 연구)

  • Park, Joon-Ho;Choi, Yu-Sung
    • The Journal of Korean Academy of Prosthodontics
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    • v.52 no.2
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    • pp.74-81
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    • 2014
  • Purpose: While studies have examined microleakage in endodontically treated teeth restored with posts, microleakage among post and adhesive systems remains a concern. This study compared the sealing properties of 3 adhesively luted post systems. Materials and methods: Thirty-six endodontically treated permanent maxillary central incisors were divided into 3 groups: Zirconia-glass fiber, Quartz-glass fiber, Polyethylene fiber posts. Post space was prepared and each post was adhesively luted with 3 systems. The specimens were separately immersed in freshly prepared 2% methylene blue solution for 1 week. The cleaned specimens were then embedded in autopolymerizing acrylic resin. The root portion of tooth were horizontally sectioned into three pieces (apical, middle, and coronal portions). An occlusal view of each section was digitally photographed with a stereomicroscope. The methylene blue-infiltrated surface for each specimen was measured. Dye penetration was estimated as the ratio of the methylene blue-infiltrated surface to the total dentin surface. Results: No significant differences were found among post types. The variables of middle section and 3-stage adhesive produced significant differences in microleakage between the following post pairs: zirconia-glass fiber versus quartz-glass fiber, zirconia-glass fiber versus polyethylene fiber, and quartz-glass fiber versus polyethylene fiber (P<.05). There were significant differences between the apical and coronal sections of each post type, and between apical versus middle sections of quarze-glass fiber and polyethylene fiber posts (P<.05). Conclusion: No significant differences were found among post types. The 3-stage adhesive produced significant differences in microleakage between the following post pairs.

COMPARATIVE STUDY OF PHYSICAL PROPERTIES FOR VARIOUS BAND CEMENTS (수종의 밴드 접착 시멘트의 물성에 대한 비교 연구)

  • Yang, Kyu-Ho;Kim, Ki-Baek;Kim, Seon-Mi;Choi, Nam-Ki
    • Journal of the korean academy of Pediatric Dentistry
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    • v.36 no.3
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    • pp.427-432
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    • 2009
  • The aim of this study was to compare the shear-peel strength and the fracture site of 5 commercially available orthodontic band cements. One hundred molar bands were cemented to extracted human 3rd molars. The specimens were prepared in accordance with the manufacturer's instructions for each cement. After storage in a humidor at $37^{\circ}C$ for 24 hours, the shear debonding force was assessed for each specimen using an universal testing machine with crosshead speed of 2 mm/minute. Maximal failure stress was converted to mean shear-peel strength, MPa. The predominant site of band failure was recorded visually for all specimens as either at the band/cement or cement/enamel interface. Mean shear-peel strength of Ormco was the highest(2.44${\pm}$0.57), followed by Fuji $Ortho^{TM}$(2.24${\pm}$0.50), $Ketac-Cem^{TM}$(2.10${\pm}$0.57), 3M $Unitek^{TM}$(1.82${\pm}$0.43), $Band-Lok^{TM}$(1.73${\pm}$0.28). There were statistically significant differences between Ormco and $Band-Lok^{TM}$, Ormco and 3M $Unitek^{TM}$, and Fuji $Ortho^{TM}$ and $Band-Lok^{TM}$(p<0.05). The predominant site of bonding failure for bands cemented with the Ormco was at the band/cement interface, whereas bands cemented with Ultra $Band-Lok^{TM}$ failed predominantly at the enamel/cement interface. There was no significant difference among the other cements(Fuji $Ortho^{TM}$, 3M $Unitek^{TM}$, $Ketac-Cem^{TM}$).

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Development of Immediate Face Lifting Technology for Reducing Wrinkles by Using Film-Forming Agent (피막 형성제를 이용한 즉각 리프팅 기술 개발)

  • Jun, Ji hyun;Ko, Eun ah;Han, Sang Gun;Kang, Hakhee
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.44 no.3
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    • pp.211-218
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    • 2018
  • Instant face lifting cosmetics contain various film forming agents for stretching the wrinkles on the skin surface. But, most of the film-forming polymers have sticky feels. And they are easily scrubbed out when skin is rubbed on. In this study, we focused on the influence of sodium silicate that has rapid film forming effect on skin surface and immediate wrinkle reducing effect. Sodium silicate, also known as water glass or soluble glass, is a compound containing sodium oxide and silica. Sodium silicate is a white powder that is readily soluble in water, producing an alkaline solution. Sodium silicate is stable in neutral and alkaline solutions. The sodium silicate solution hardens by drying in air and rapidly forms a thin film. When the solution is applied to the skin, the fine membrane coating is formed by water evaporation and ionic bond re-formation. It also makes the strong siloxane (Si-O) bonding on the skin surface. When these fixation properties are applied to cosmetics, they can give remarkable skin tightening effect. The sodium silicate solution can provide the lifting effect by forming a film on skin at a proper concentration. But, skin irritation may be caused with too high concentration of sodium silicate. We studied a desirable range of the sodium silicate concentration and combination with other fixatives for skin care formulation that has no sticky feels and no scrubbing out phenomenon. Immediate lifting gel was developed by using sodium silicate and various thickening systems. Among of the various thickeners, aluminum magnesium silicate showed the best compatibility with sodium silicate for rapid lifting effect. This instant physical lifting gel was confirmed as a low stimulating formula by skin clinical test.

Suitable Conditions of Producing the LVL from Pitch Pine and its Paint Film Durability (리기다소나무 단판적층재(單板積層材)의 제조조건(製造條件)에 따른 물리적성질(物理的性質) 및 도장성능(塗裝性能))

  • Park, Sang-Bum;Kong, Young-To;Jo, Jae-Myeong
    • Journal of the Korean Wood Science and Technology
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    • v.17 no.1
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    • pp.3-11
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    • 1989
  • This study was carried out to investigate the physical and mechanical properties. durability of adhesive bond and paint film for the basic data which were required to determine the suitability as a raw material for furniture the laminated veneer lumber (LVL) with pitch pine (Pinus rigida Mill). The results obtained were as follows; 1) The proper pressing time for making the LVL was over 45 second per milimeter of LVL thickness. 2) The bending strength of the LVL was lower than that of the solid wood but the compressive strength of the LVL was similar to that of the solid wood. The strength increased with the decrease of veneer thickness. 3) The impact bending absorbed energy of the LVL was 0 to 0.3 kg.m/$cm^2$ in the direction of parallel to the grain. The energy of the LVL was lower than that of the solid wood (0.68 kg.m/$cm^2$). 4) In warm water soaking and cold-dry tests, delamination of adhered layers surface crack, swelling, and color change were not found when the hot pressing time was over 45 second per milimeter of LVL thickness. As a result of soak under vacuum test shrinkage in the direction of parallel to the grain was about -1.0 percent and. was about 3.0 percent in the direction of the perpendicular to the grain. 6) The film cacks on the LVL's surface after the wet and cold-dry test were not found at all. 7) In the use of the LVL for interior decoration it was considered that the surface of the LVL be overlaid crossly with fancy veneers of birch and paulownia, etc. This cross overlayirg methods have resulted in few cracks on the fancy veneer.

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A Study on the Catalytic Characteristics of Oxygen Reduction in an Alkaline Fuel Cell II. Characterization of La0.6Sr0.4Co1-xFexO3 by using XRD, TG, and TPR (알칼리형 연료전지에서 산소환원에 미치는 촉매 특성 연구 II. XRD, TG, TPR를 이용한 La0.6Sr0.4Co1-xFexO3의 특성 분석)

  • Moon, Hyeung-Dae;Lee, Ho-In
    • Applied Chemistry for Engineering
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    • v.7 no.3
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    • pp.554-564
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    • 1996
  • Oxygen reduction in an alkaline fuel cell was studied by using perovskite of $La_{0.6}Sr_{0.4}Co_{1-x}Fe_xO_3$(x=0.00, 0.01, 0.10, 0.20, 0.35, and 0.50) as an oxygen electrode catalyst. The changes in the catalytic properties as a function of Fe content were investigated by XRD, TG, and TPR. XRD patterns gave different lattice parameters of the catalysts. TG study revealed that Fe was so stabilized in the perovskite structure as to be hardly reduced even up to $900^{\circ}C$, and the amount of oxygen which was eliminated at high temperature increased with the fraction of Fe because Fe induced the increase of Co-O binding energy. From TPR study, ${\alpha}$-(low temperature peak) and ${\beta}$-(high temperature peak)states were observed. The bond strength of the ${\beta}$-species which was associated strongly with Co of the perovskite increased proportionally with the fraction of Fe. The ${\alpha}$-species, reversible oxygen, was the active species in the oxygen reduction. The ${\alpha}$-peak temperature which reflected the binding energy between Co and ${\alpha}$-state oxygen moved to lower temperature with the increase of lattice parameter of the catalytst due to the increase of Fe content. The decrease in the binding energy increased the activity in the oxygen reduction, but the decrease of ${\alpha}$-species with the increase of Fe content decreased the activity. The increase in the surface area with Fe content had little effect on the activity.

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Cyclic Behavior of Wall-Slab Joints with Lap Splices of Coldly Straightened Re-bars and with Mechanical Splices (굽힌 후 편 철근의 겹침 이음 및 기계적 이음을 갖는 벽-슬래브 접합부의 반복하중에 대한 거동)

  • Chun, Sung-Chul;Lee, Jin-Gon;Ha, Tae-Hun
    • Journal of the Korea Concrete Institute
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    • v.24 no.3
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    • pp.275-283
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    • 2012
  • Steel Plate for Rebar Connection was recently developed to splice rebars in delayed slab-wall joints in high-rise building, slurry wall-slab joints, temporary openings, etc. It consists of several couplers and a thin steel plate with shear key. Cyclic loading tests on slab-wall joints were conducted to verify structural behavior of the joints having Steel Plate for Rebar Connection. For comparison, joints with Rebend Connection and without splices were also tested. The joints with Steel Plate for Rebar Connection showed typical flexural behavior in the sequence of tension re-bar yielding, sufficient flexural deformation, crushing of compression concrete, and compression rebar buckling. However, the joints with Rebend Connection had more bond cracks in slabs faces and spalling in side cover-concrete, even though elastic behavior of the joints was similar to that of the joints with Steel Plate for Re-bar Connection. Consequently, the joints with Rebend Connection had less strengths and deformation capacities than the joints with Steel Plate for Re-bar Connection. In addition, stiffness of the joints with Rebend Connection degraded more rapidly than the other joints as cyclic loads were applied. This may be caused by low elastic modulus of re-straightened rebars and restraightening of kinked bar. For two types of diameters (13mm and 16mm) and two types of grades (SD300 and SD400) of rebars, the joints with Steel Plate for Rebar Connection had higher strength than nominal strength calculated from actual material properties. On the contrary, strengths of the joints with Rebend Connection decreased as bar diameter increased and as grade becames higher. Therefore, Rebend Connection should be used with caution in design and construction.

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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