• Title/Summary/Keyword: Physicochemical similarity

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The Search of fig Pheromonal Odorants for Biostimulation Control System Technologies: I. Ligand Based Molecular Shape Similarity of 5$\alpha$-androst-16-en-3-one Analogous and Their Physicochemical Parameters (생물학적 자극 통제 수단으로서 활용하기 위한 돼지 페로몬성 냄새 물질의 탐색: I. 5$\alpha$-androst-16-en-3-one 유사체들의 리간드에 기초한 분자 유사성과 물리화학 파라미터)

  • 성낙도;김철호;진동일;박창식
    • Reproductive and Developmental Biology
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    • v.28 no.1
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    • pp.45-52
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    • 2004
  • To search a new porcine pheromonal odorants, this research for biostimulation and role of pheromone was augmented by means of "control system technologies" to offer a potentially useful and practical way to improve reproductive efficiency in livestock species. Therefore the 13 physicochemical parameters such as similarity indice (S), hydrophobicity (logP) and van der Waals molecule volume (MV) etc. of 54 steroid analogues, which are analogous of substrate molecules, 5$\alpha$-androst-16-en-3-one (P1) and 5$\alpha$-androst-16-en-3-ol (P2) of lipocalin as receptor of pig pheromones were calculated and discussed. The physicochemical properties of these steroid analogues were mainly followed by steric dissimilar of A and D ring in steroid nucleus. And we found that from correlation with S values and MV constants of molecules, the more MV constants are small, the more S values tend to approach 1. Based on this results, the S-values of 4-androsten-3,17-dione (P1-1) and 5 $\alpha$ -androstan-3-one (P2-1) were 1.0, respectively. The two compounds of them were chosen because they showed the same value each other at a side of hydrophobicity, molar refractivity and molecular volume. It is expected that the new two compounds will be able to substitute for P1 and P2, porcine pheromonal odorants.

In silico characterisation, homology modelling and structure-based functional annotation of blunt snout bream (Megalobrama amblycephala) Hsp70 and Hsc70 proteins

  • Tran, Ngoc Tuan;Jakovlic, Ivan;Wang, Wei-Min
    • Journal of Animal Science and Technology
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    • v.57 no.12
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    • pp.44.1-44.9
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    • 2015
  • Background: Heat shock proteins play an important role in protection from stress stimuli and metabolic insults in almost all organisms. Methods: In this study, computational tools were used to deeply analyse the physicochemical characteristics and, using homology modelling, reliably predict the tertiary structure of the blunt snout bream (Ma-) Hsp70 and Hsc70 proteins. Derived three-dimensional models were then used to predict the function of the proteins. Results: Previously published predictions regarding the protein length, molecular weight, theoretical isoelectric point and total number of positive and negative residues were corroborated. Among the new findings are: the extinction coefficient (33725/33350 and 35090/34840 - Ma-Hsp70/ Ma-Hsc70, respectively), instability index (33.68/35.56 - both stable), aliphatic index (83.44/80.23 - both very stable), half-life estimates (both relatively stable), grand average of hydropathicity (-0.431/-0.473 - both hydrophilic) and amino acid composition (alanine-lysine-glycine/glycine-lysine-aspartic acid were the most abundant, no disulphide bonds, the N-terminal of both proteins was methionine). Homology modelling was performed by SWISS-MODEL program and the proposed model was evaluated as highly reliable based on PROCHECK's Ramachandran plot, ERRAT, PROVE, Verify 3D, ProQ and ProSA analyses. Conclusions: The research revealed a high structural similarity to Hsp70 and Hsc70 proteins from several taxonomically distant animal species, corroborating a remarkably high level of evolutionary conservation among the members of this protein family. Functional annotation based on structural similarity provides a reliable additional indirect evidence for a high level of functional conservation of these two genes/proteins in blunt snout bream, but it is not sensitive enough to functionally distinguish the two isoforms.

Comparative Molecular Similarity Indices Analysis (CoMSIA) of 8-substituted-2-aryl-5-alkylaminoquinolines as Corticotropin-releasing factor-1 Receptor Antagonists

  • Nagarajan, Santhosh Kumar;Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
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    • v.9 no.4
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    • pp.241-248
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    • 2016
  • Corticotropin-releasing factor receptors (CRFRs) activate the hypothalamic-pituitary-adrenal axis, which is an integral part of the fight or flight response to stress. Increase in CRH level is observed in Alzheimer's disease and major depression and hypoglycemia. Here, we report on the relevant physicochemical parameters required for the CRFR inhibitors. Comparative molecular similarity indices analysis (CoMSIA) was performed with the derivatives of 8-substituted-2-aryl-5-alkylaminoquinolinesas CRFR inhibitors. The best predictions were obtained for the best CoMSIA model with a $q^2$ of 0.576 with 6 components and $r^2$ of 0.977. The statistical parameters from the generated CoMSIA models indicated that the data are well fitted and have high predictive ability. CoMSIA contour maps could be useful in the designing of more potent and novel CRFR derivatives.

Effect of Aging on Physicochemical and Pasting Properties of Nonwaxy Rice Flour and its Starch (쌀의 저장기간에 따른 쌀가루와 생전분의 특성)

  • Kim, Wan-Soo
    • Korean Journal of Human Ecology
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    • v.14 no.6
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    • pp.1037-1046
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    • 2005
  • Using three consecutive years' harvested rices and their starches isolated from rice flours by alkaline method, it was found that no significant aging effect on rice flour and starch was observed based on following results. Proximate data of flours or starches showed in similarity, except high level of crude fat in rice flour and rice starch harvested in 2002. In SEM, the surface of aged rice flour had slightly layered shape due to possible abrasion during storage, and that of aged starch showed more smooth and less rigid polygonal shape. X-ray diffraction patterns of flours and starches were all A type, and crystallinity of rice starch harvested in 2000 had the smallest. From tristimulus colorimetry (Hunterlab Color), total color difference ($\Delta$E) calculated from L, a, and b gave less color difference with the darkest in 2002 harvested one among flours and the lightest in 2001 one among starches. WBCs of both 2002 rice flour and starch were the lowest among samples studied. At 80$^{\circ}C$, swelling power and solubility of rice starches harvested in 2000, 2001 and 2002 were 14.35, 9.75; 14.04, 9.6; and 12.49, 8.82, respectively. The highest peak viscosities measured by RVA were shown both in 2001 rice flour and in its starch. Starch and milled rice flour harvested in 2000 had higher hydrolytic $\alpha$-amylase, compared to other flour and starch samples.

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Comparison of Physicochemical Propertres of Various Bean Starches -Cowpea, mung bean, kidney bear and red bean- (두류 전분의 이화학적 특성비교 -동부, 녹두, 강낭콩, 팥-)

  • Sohn, Kyung-Hee;Yoon, Gae-Soon;Chung, Hea-Jung;Chae, Sun-Hee
    • Korean journal of food and cookery science
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    • v.6 no.1
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    • pp.13-19
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    • 1990
  • Cowpea, mung bean, Kidney bean and red bean are simular properties. In order to elucidate the similarity among these four starches, some physicochemical properties of starches were compared. Water binding capacity of kidney bean and red bean (199%) starches are higher than mung bean and cowpea. The solubility, swlling power and optical transmittance of the four starches showed a similar pattern, but kidney bean and red bean starches had a lower swelling power than cowpea starches. Cowpea, mung bean, kidney bean and red bean starches had the blue value of 0.41, 0.47, 0.42 and 0.50, the alkali content of 8.4, 8.0, 4.13, 4.13, the amylose content of amylose of 30,000, 29,268, 52, 173 and 33, 611 and glucose unit per segment of amylopectin of 27.6, 26.8, 18.35 and 12.9 respectively. The results of X-ray diffraction studies showed A pattern for four starches.

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Evaluation of Rheological and Sensory Characteristics of Plant-Based Meat Analog with Comparison to Beef and Pork

  • Bakhsh, Allah;Lee, Se-Jin;Lee, Eun-Yeong;Hwang, Young-Hwa;Joo, Seon-Tea
    • Food Science of Animal Resources
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    • v.41 no.6
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    • pp.983-996
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    • 2021
  • This study explored the physicochemical, textural, and sensorial properties of a meat analog (MA) as compared to beef and pork meats. Results illustrate that MA patties had lower moisture, fat, and protein content, as well as higher ash and crude fiber than beef and pork. Likewise, MA patties had a higher pH, lightness (L*), and redness (a*) than either beef or pork. Pork meat exhibited the highest released water (RW) and cooking loss (CL) values, followed closely by MA with beef displaying the lowest values. Regardless of patty type, the post-cooking diameter patties were reduced significantly (p<0.05). However, the Warner-Bratzler shear force (WBSF), hardness, chewiness, and gumminess of beef were significantly higher than that of either pork or MA. The visible appearance of MA patties had more porous and loose structures before and after cooking. Consequently, based on sensory parameters, MA patties demonstrated the higher values for appearance and firmness, followed by beef and pork respectively, although the difference was not statistically significant. Therefore, the current study demonstrated that some physicochemical, textural, and sensory characteristics of beef and pork exhibited the most similarity to MA.

Physicochemical characteristics and volatile profile of novel lemon varieties, Minimon and Jeramon

  • Heejin Kang;Sunmee Lee;Jaecheol Kim;Hyosun Park;Suna Kim
    • Food Science and Preservation
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    • v.30 no.5
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    • pp.770-784
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    • 2023
  • Although most lemons are imported into Korea, their consumption is increasing. Development of domestic varieties of Jeramon and Minimon is currently underway in an effort to meet the increasing demand for fresh lemons. In this study, an analysis of the physicochemical characteristics of Jeramon and Minimon, including their flavor components and antioxidant properties, was conducted. The results revealed that these new varieties of Korean lemon can be regarded as good sources of antioxidants and phytochemicals. Compared to Sunkist, the most consumed lemon variety in Korea, Minimon contained more than twice as much β-cryptoxanthin, and the content of L-ascorbic acid was more than three-four-fold higher in both Minimon and Jeramon. In addition, results from measurement of DPPH and ABTS radical scavenging activities indicated that Jeramon extract exhibited the highest antioxidant activity. In the volatile profile analysis, the profiles of volatile components showed high similarity among the three lemon samples, and the composition ratio was largely dominated by terpenoids. A markedly higher ratio of d-limonene and thymol was detected in the Minimon variety compared with that in the other two varieties. Collectively, the findings from this study on Korean lemon varieties provide a basis as well as valuable guidance for breeding domestic lemon varieties.

Study on the Components of Glehniae Radix (해방풍의 성분연구)

  • Seo, Yoon-Kyo;Ryu, Kyung-Soo
    • Korean Journal of Pharmacognosy
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    • v.7 no.4
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    • pp.233-235
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    • 1976
  • Substances $I{\sim}VII$ are isolated from the root of Glehnia littoralis which has been often used as a subsitute of Bang-Poong in Korea. White needle crystalline substance of $C_{29}H_{50}O$, m.p. $137{\sim}139^{\circ}C$ was confirmed as ${\beta}-sitosterol$ through elemental analysis, derivative synthesis, IR and physicochemical tests. Moreover, it was concluded that white needle crystal of $C_{12}H_{8}O_{4}$, m.p. $188{\sim}189^{\circ}$ was confirmed as bergapten, through a contrast test with standard substance and by UV and IR-spectra. It was found that substance III and VII coincided with the Rf values of imperatorin and umbelliferone and to its colors under the UV-ray, and its similarity to UV-spectrum can be recognized, but their melting points are remarkedly different respectively.

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Gelatinization Properties of Legume, Cereal and Potato Starches (두류, 곡류 및 감자전분의 호화 특성)

  • 김향숙;안승요
    • Korean journal of food and cookery science
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    • v.10 no.1
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    • pp.80-85
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    • 1994
  • Studies were carried out to investigate physicochemical and gelatinization properties of legume, cereal and potato starches. Cowpea, mung bean, acorn, and buckwheat starches showed similar moisture content and amylose content, however, there is neither similarity nor certaion trend in WBC, swilling power, and solubility among them. DSC thermograms of cowpea, mung bean, acorn, and buckwheat starches showed similar patterns with two endothermic peaks and relatively broad gelatinization ranges. SEM photomicrography of gelatinized cowpea, mung bean, acorn and buckwheat starches showed highly swollen and extremely disintegrated, folded structure.

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Physicochemical Characteristics of Korean Folk Sojues (전통민속소주의 물리화학적 특성)

  • Lee, Dong-Sun;Park, Hye-Seong;Kim, Kun;Lee, Taik-Soo;Noh, Bong-Soo
    • Korean Journal of Food Science and Technology
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    • v.26 no.5
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    • pp.649-654
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    • 1994
  • In order to provide a quality index of Korean folk sojues, physicochemical properties of Korean folk sojues (Andong soju, Moonbaesul, Leekangju, Jindo Hongju, Chebiwon soju, Yethyang (rice) and Yethyang (barley)), Paekrosul, Chinese kaoliangchiews (Moutaichiew, Ergoutoutiu, Chuyehchingchiew, Zhikukaoliangchiew and Paigal), Japanese Senbatanuki shochu and two whiskies were determined. The pH of sojues ($3.43{\sim}5.85$) were mainly influenced by total acidity which was described as acetic acid. The conductivities of Paekrosul and Leekangju showed relatively high value of $246\;and\;122.7{\mu}S/cm$, respectively. Korean folk sojues and Paekrosul showed maximum absorption at 274 or $278{\sim}280nm$ in the spectrometric study. We performed principal components analysis (PCA) of physicochemical properties and spectrometric data to extract representative characteristics and to compare the similarity or the dissimilarity. The PCA plot showed the distinguished cluster of Korean folk sojues comparing with Chinese kaoliangchiew or Paekrosul etc.

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