• Title/Summary/Keyword: MP2P

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A Theoretical Study on the Inter-molecular Hydrogen Bond Between Nitromethanes and the Stabilization of Nitromethane Dimer (니트로메탄의 분자 간 수소결합과 니트로메탄 이합체의 안정화에 관한 이론적 연구)

  • Lee, Min-Joo;Kim, Ji-Young
    • Journal of the Korean Chemical Society
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    • v.48 no.3
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    • pp.229-235
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    • 2004
  • For the study of hydrogen bonding phenomenon of high energetic compounds, we have been carried out a theoretical calculations for the nitromethane with the program Gaussian-98. The calculations at levels of restricted BLYP/6-311++G(d,p), B3LYP/6-311++G(d,p) and MP2/6-311++G have been performed to obtain molecular structures, hydrogen bonding effects and vibrational spectra of nitromethane monomer and dimer. The results show nitromethane is favored to make two hydrogen bonds between molecules and the nitromethane dimer is more stable than the monomer about 15.2, 19.4 and 32.6 kJ/mol for the BLYP, B3LYP, and MP2 level calculations, respectively.

Cerebrovascular Reservoir and Arterial Transit Time Changes Assessed by Acetazolamide-Challenged Multi-Phase Arterial Spin Labeling Perfusion MRI in Chronic Cerebrovascular Steno-Occlusive Disease (만성 뇌혈관 협착폐색증에서 아세타졸아미드 부하 다상 동맥스핀표지 자기공명관류영상으로 평가한 뇌혈류 예비능과 동맥 통과 시간의 변화)

  • Inpyeong Hwang;Chul-Ho Sohn;Keun-Hwa Jung;Eung Koo Yeon;Ji Ye Lee;Roh-Eul Yoo;Koung Mi Kang;Tae Jin Yun;Seung Hong Choi;Ji-hoon Kim
    • Journal of the Korean Society of Radiology
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    • v.82 no.3
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    • pp.626-637
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    • 2021
  • Purpose To explore cerebrovascular reservoir (CVR) and arterial transit time (ATT) changes using acetazolamide-challenged multi-phase arterial spin labeling (MP-ASL) perfusion-weighted MRI in chronic cerebrovascular steno-occlusive disease. Materials and Methods This retrospective study enrolled patients with chronic steno-occlusion who underwent acetazolamide-challenged MP-ASL between June 2019 and October 2020. Cerebral blood flow, CVR, basal ATT, and ATT changes associated with severe stenosis, total occlusion, and chronic infarction lesions were compared. Results There were 32 patients (5 with bilateral steno-occlusion) in our study sample. The CVR was significantly reduced during total occlusion compared with severe stenosis (26.2% ± 28.8% vs. 41.4% ± 34.1%, respectively, p = 0.004). The ATT changes were not significantly different (p = 0.717). The CVR was marginally lower in patients with chronic infarction (29.6% ± 39.1% vs. 38.9% ± 28.7%, respectively, p = 0.076). However, the ATT was less shortened in patients with chronic infarction (-54 ± 135 vs. -117 ± 128 ms, respectively, p = 0.013). Conclusion Acetazolamide-challenged MP-ASL provides an MRI-based CVR evaluation tool for chronic steno-occlusive disease.

Investigation of Potential Photoreactivation of Pseudomonas aeruginosa after LP or MP UV Irradiation (저압 및 중압 자외선 조사에 의해 불활성화된 Pseudomonas aeruginosa의 광회복능 조사)

  • Mun, Sung-Min;Cho, Min;Yoon, Je-Yong
    • Journal of Korean Society of Water and Wastewater
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    • v.20 no.5
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    • pp.755-761
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    • 2006
  • Recently, there is growing interest in ultraviolet (UV) irradiation as a disinfection technic in drinking water production due to its effectiveness to inactivate microorganisms such as Crytosporidium parvum without forming disinfection byproducts. However, UV disinfection is known for its drawback such as photoreactivation. Despite many works concerning the photoreactivation, most of works were focused on indicator or non pathogenic microorganisms. The objective of this study is to examine the photoreactivation of Pseudomonas aeruginosa which is an opportunistic pathogen as UV radiation by LP and MP UV lamp was applied. The result showed that P. aeruginosa had high photo repair efficiency regardless of the type of UV irradiation. Both of the effective log repair values of LP and MP UV irradiation were found approximately 2.6 log. In addition, photo repaired P. aeruginosa was not significantly different in forming biofilm in comparison with non treated P. aeruginosa.

Ab initio Studies on Acene Tetramers: Herringbone Structure

  • Park, Young-Hee;Yang, Ki-Yull;Kim, Yun-Hi;Kwon, Soon-Ki
    • Bulletin of the Korean Chemical Society
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    • v.28 no.8
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    • pp.1358-1362
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    • 2007
  • The structures, energetics and transfer integrals of the acene tetramers up to pentacene are investigated with the ab initio molecular orbital method at the level of second-order Møller-Plesset perturbation theory (MP2). Calculated geometries for the herringbone-style structures found in the crystal structure were characterized as local minima, however the geometrical discrepancy between crystal and MP2 theoretical structure is reasonably small. The binding energy of pentacene tetramer was calculated up to 40 kcal/mol (MP2/6-31G(d)) and about 90 kcal/mol (MP2/aug-cc-pVDZ), and the latter seems to be too much overestimated. The tendency of the hole transfer integrals computed with ab initio MP2/3-21G(d) geometry is well agreement with those estimated with crystal structure with some discrepancy, and the gradual increment of the transfer integrals at the crystal geometry is attributed to mainly packing structure rather than the intrinsic property of acene such as a size of acene.

Characteristics of Sponge Cakes with Replacement of Sucrose with Oligosaccharides and Sugar alcohols (올리고당과 당알콜을 이용한 스폰지 케익의 제조)

  • 김창순;이영순
    • Korean journal of food and cookery science
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    • v.13 no.2
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    • pp.204-212
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    • 1997
  • The characteristics of sponge cakes prepared with replacement of 30, 50, 75, or 100% of sucrose with isomaltooligosaccharide (IOS), fructooligosanharide (FOS), maltitol symp (MS), or maltitol powder (MP), were examined through physical measurement and sensory evaluation. The specific gravities of foams and cake batters were not significantly different among samples (p .0.05). The use of IOS increased the viscosity of cake batter. The cakes containing IOS, FOS, MS, or MP were softer than control cakes (sucrose 100%). Especially cakes prepared with 30, 50% IOS, or 75, 100% MP, appeared to be fragile. When increasing levels of IOS or FOS were incorporated in the cake formula, cake crust color was getting darker than that of control cake, whereas cake containing maltitol was getting lighter as the levels of replacement increased. Generally, the volume of cake containing FOS were superior to that of control cake, whereas those of cakes containing above 50% MP were inferior. Sensory analysis of experimental cakes did not show significant differences from the control cake for softness, springiness and gumminess. Sweetness increased replacing the sucrose with FOS, MS or MP (30, 50%) and moistness increased using IOS, FOS, MS, or MP without agreement with moisture contents of cakes. Replacement of 30, 50% sucrose with MS or 30% with MP did not affect greatly the physical measurements or sensory characteristics studied.

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The relationship between the morphology of mandibular symphysis and the craniofacial morphology in class III malocclusion (III급 부정교합자의 이부형태와 두개안면형태의 연관성)

  • KIM, Sang-Doo;KWON, Oh-Won;SUNG, Jae-Hyun
    • The korean journal of orthodontics
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    • v.26 no.5 s.58
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    • pp.509-522
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    • 1996
  • By studying the relationship between the morphology of mandibular symphysis and craniofacial morphology in classIII malocclusion, this study aims at deciding whether the morphogy of mandibular symphysis can be used as a predictor on the growth of mandible. The materials used for this study were the cephalometric radiographs of male class III malocclusion. The subjected age groups were 10-12(G1 group) and 20 and above(G2 group): 50 were selected from each group. Each group was again divided, according to the ratio of symphysis, into Large(L), Average(A), and Small(S). The results of this study were summarized as follows: 1. In average the ratio of symphysis, G2 group showed significantly bigger than G1 group(p<0.05) 2. In both G1 and G2 groups, the ratio of symphysis had no relationship with the measurements on the cranial base and the maxilla(p>0.05). 3. In both G1 and G2 groups, there was not distinct difference in the antero-posterior positions among L, A, S subgroups. 4. L and A subgroups showed significantly larger than S subgroup in lower gonial angle and chin angle in G1 group (p<0.05). 5. In the measurements on the vortical relation of the face, anterior total face height(ATFH) and anterior lower face height(ALFH) of L subgroup were significantly larger than that of S subgroup in G1 group(p<0.05) and also mandible showed a tendency to grow downward vertically. 6. In the measurements on the tooth position and inclination, L subgroup showed as compared with S subgroup a tendency of extrusion of maxillary and mandibular teeth in G1 group, but G2 group showed such tendency only in mandibular teeth. 7. In the measurements on the abnormal growth prediction by Schulhof, in G1, there was no significant difference among L, A, S sugroups. 8. In the correlative analysis of the ratio of symphysis and other measurements, G1 group showed significant correlationships in chin angle, PP/MP angie, ANS-Me and other, while G2 group showed the same only in MP-LIT and MP-LMMC(p<0.05, p<0.01). In summarizing the above, in the G1 group, consisting of young males, no difference was noted in horizontal relation between L and S subgroups; in vertical relation, L subgroup showed a stronger tendency of downward growth of mandible than S subgroup. In adult male G2 group, however, no distinct morphological difference of craniofacial complex by the ratio of symphysis.

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Naturally Derived Probiotic Supplementation Effects on Physiological Properties and Manure Gas Emission of Broiler Chickens

  • Hassan, Md R.;Ryu, Kyeong-Sun
    • Journal of agriculture & life science
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    • v.46 no.4
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    • pp.119-127
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    • 2012
  • To investigate the influence of multi-probiotic, fermented ginseng byproduct and fermented sulfone on the performance, intestinal microflora and immunity of broiler, a five weeks trial was conducted with 340, 1-d-old $Ross{\times}Ross$ broiler. All broilers were divided into five different groups having 68 birds in each treatment, and they were assigned as control, antibiotic avilamycin (AB), multi-probiotic (MP), fermented sulfone (FS) and fermented ginseng byproduct (FGB). Each artificial or naturally derived probiotic was inoculated 0.1% level with the basal diet, and all diets were provided to birds for five weeks. Weight gain and feed intake were measured weekly basis, and blood, spleen and feces were collectedand used for the physiological properties of broiler chickens. All performances and cholesterol profiles were not significantly differed but numerically lower level of neutral fat and LDL was found in multi-probiotics and FGB treatments respectively. The salmonella spp and E. coli numbers in the ileum were high in control in relation to those of other treatments and were significantly decreased in antibiotics treatments (p<0.05). In addition, Lactobacillus spp. showed significantly higher proliferation in MP as compared to that of others (p<0.05). Fecal ammonia and $CO_2$ gas emission was significantly decreased in MP, FGB and FS, respectively (p<0.05), but significantly increased proliferation of spleen was determined in MP group in comparison of other treatments (p<0.05). Therefore, the results indicates that multi-probiotics would be valuable feed additives to improve the salmonella, E. coli and Lactobacillus proliferation, and manure gas emission of broiler chickens, but further study related to the production of manure gas emission of MP is necessary.

Effects of the plane of nutrition for grower pigs on their grow-finish performance and meat quality in winter

  • Yang, Bo-Seok;Kim, Myeong Hyeon;Choi, Jung-Seok;Jin, Sang Keun;Park, Man-Jong;Song, Young-Min;Lee, Chul Young
    • Journal of Animal Science and Technology
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    • v.61 no.1
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    • pp.1-9
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    • 2019
  • Little is known about the effects of the plane of nutrition on growth performance and meat quality of grow-finish pigs under commercial production conditions. The present study was thus addressed to this virtually unanswered question. One hundred and two barrows and 102 gilts weighing approximately 24 kg were fed phase I and II grower diets with a high, medium, or low plane of nutrition (HP, MP, or LP) to approximately 43 and 70 kg, respectively, in 6 replicates (pens). Subsequently, the HP and MP groups were fed the HP and MP1 finisher diets, respectively, the LP group being fed a second MP (MP2) finisher diet (LP1 group). Moreover, 68 LP-grower-fed barrows and gilts were added to the feeding trial and fed the MP1 and LP finisher diets to approximately 95 kg and thereafter, respectively (LP2 group). All MP diets had the lysine:calorie ratios comparable to the RNC recommendations, with < 18% differences between those of the HP and LP diets. The finisher pigs were reared in 16 pens and slaughtered at approximately 115 kg. The gain:feed ratio, but not average daily gain (ADG), was greater for the HP group than for the MP and LP during the grower phase I whereas during the grower phase II, ADG was greater (p < 0.05) for the HP and LP groups vs. MP. During the finisher phase I, ADG was less for the LP (LP1 + LP2) group vs. HP and MP, with no difference between the HP and MP groups; the gain:feed ratio was less for the LP vs. MP group. Backfat thickness was greater for the LP vs. HP group. The water holding capacity of fresh longissimus dorsi muscle (LM) and the sensory juiciness score for cooked LM were greatest for the LP group, the sensory flavor and tenderness scores being greater for the LP group vs. MP. In conclusion, results suggest that compensatory growth occurred for the LP and MP groups during the grower phase II and finisher phase I, respectively, with fat deposition increased for the LP group and that meat quality could be improved by the use of LP.

The Effect of Mushroom Extract as a Dietary Additive on the Nutritive Quality of Cultured Olive Flounder Paralichthys olivaceus (양식산 넙치(Paralichthys olivaceus)의 식품학적 품질 개선에 버섯추출물이 미치는 영향)

  • Shim, Kil-Bo;Kim, Ji-Hoe;Yoon, Ho-Dong;Choi, Hae-Seung;Cho, Young-Je
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.44 no.6
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    • pp.785-790
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    • 2011
  • This study investigated the nutritive quality of olive flounder Paralichthys olivaceus fed either moist pellet (MP) or moist pellet mixed with mushroom extract (MPME) for 6 months. There was no significant difference in crude protein or extractive nitrogen in the muscle of flounder fed MP versus MPME (P > 0.05). The total amino acid content in the muscle of flounder fed MP was $15.22{\pm}5.24$ g/100 g, compared to $19.90{\pm}2.90$ g/100 g for flounder fed MPME. Essential amino acid content was $7.04{\pm}2.21$ g/100 g in the muscle of flounder fed MP versus $8.94{\pm}2.50$ g/100 g for MPME. Total amino acid content was higher in the muscle of olive flounder fed MPME, while essential amino acid content was higher in flounder fed MP. The ratio of non-essential amino acids to essential amino acids was $0.86{\pm}0.07$ for flounder fed MP and $0.81{\pm}0.08$ for flounder fed MPME. There was no significant difference in free amino acid content and fatty acid composition. The breaking strength of muscle of olive flounder fed MP was higher ($1.44{\pm}0.51\;kg/cm^2$) than in flounder fed MPME ($1.29{\pm}0.30\;kg/cm^2$). There was no evidence that dietary additives, such as mushroom extract, increase growth rate or nutritive quality of olive flounder.

Growth Performance and Blood Chemistry of Starry Flounder Platichthys stellatus Fed Extruded and Moist Pellet (공급 사료에 따른 강도다리 (Platichthys stellatus)의 성장과 혈액성분의 변화)

  • Park, Seongdeok;Kim, Jae Won;Kim, Pyong Kih;Jeon, Joong-Kyun
    • Korean Journal of Environmental Biology
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    • v.34 no.3
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    • pp.133-140
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    • 2016
  • This study was evaluated individual growth and hematological changes of young starry flounder, using hyperpigmentation marks on the blind side of body after feeding extruded pellet (EP) and moisture pellet (MP) for 45 days. As a result, the fish grew up to $220.1{\pm}47.8g$ in the EP treatment and $224.7{\pm}42.4g$ in the MP treatment, so the weight gain was significantly higher in the MP treatment ($74.6{\pm}17.3%$) than in the EP treatment ($63.7{\pm}16.9%$) (P<0.05). Osmolalities of flounder after 45 days culture were similar between the treatments (P>0.05), showing values of $359.8{\pm}4.2mOsm\;kg^{-1}$ in the EP treatment and $358.5{\pm}6.2mOsm\;kg^{-1}$ in the MP treatment. Similarly, other blood chemistry indicators such as sodium, chloride, total protein, albumin, glucose, total cholesterol, BUN, creatinine, ammonia, triglyceride, cortisol, GOT, GPT and hematocrit showed no differences between the treatments. However, the free fatty acid concentration was significantly higher in the MP treatment than in the EP treatment (P<0.05).