Pub Date : 2020-10-10DOI: 10.4236/jbpc.2020.114004
G. Degani
In the present study, a model is suggested to describe hormone control in male blue gourami (Trichogaster trichopterus) along the gonadotropic brain-pituitary- gonad axis (BPG axis) and the hypothalamic-pituitary-somatotropic axis (HPS axis). This model is based on the cloning and transcription of genes encoding hormones of the two axes involved in spermatogenesis during blue gourami reproduction. Gene transcription is affected by environmental, biological, and behavioral factors. Mature males were examined in two different stages—nonreproductive in high-density habitats and reproductive in low-density habitats. Based on gene transcription, gonadotropin-releasing hormone 1 (GnRH1) was involved in controlling spermatogenesis (spermatogonia to spermatids) via the BPG axis in nonreproductive and reproductive stages by controlling follicle-stimulating hormone (FSH), 11-ketotestosterone (11KT) and 17β-estradiol (E2). However, GnRH3 had a larger effect during the reproductive stage via the BPG axis (spermatids to sperm) on luteinizing hormone (LH), 11KT, and 17α-hydroxyprogesterone (17P). At the same time, the HPS axis was involved in spermatogenesis via pituitary adenylate cyclase-activating polypeptide (PACAP) and its related peptide PRP (formerly known as GHRH-like peptide) in the brain, and growth hormone (GH) in the pituitary affected synthesis of insulin-like growth factor 1 (IGF1) in the liver.
{"title":"A Qualitative Model of the Interaction of Sexual Behavior and Hormone Gene Transcription in Male Blue Gourami during Reproduction","authors":"G. Degani","doi":"10.4236/jbpc.2020.114004","DOIUrl":"https://doi.org/10.4236/jbpc.2020.114004","url":null,"abstract":"In the present study, a \u0000model is suggested to describe hormone control in male blue gourami (Trichogaster \u0000trichopterus) along the gonadotropic brain-pituitary- gonad axis (BPG axis) and the hypothalamic-pituitary-somatotropic \u0000axis (HPS axis). This model is based on the cloning and transcription of \u0000genes encoding hormones of the two axes involved in spermatogenesis during blue \u0000gourami reproduction. Gene transcription is affected by environmental, \u0000biological, and behavioral factors. Mature \u0000males were examined in two different stages—nonreproductive in high-density \u0000habitats and reproductive in low-density habitats. Based on gene \u0000transcription, gonadotropin-releasing hormone 1 (GnRH1) was involved in \u0000controlling spermatogenesis (spermatogonia to spermatids) via the BPG axis in \u0000nonreproductive and reproductive stages by controlling follicle-stimulating \u0000hormone (FSH), 11-ketotestosterone (11KT) and 17β-estradiol (E2). However, GnRH3 had a larger effect \u0000during the reproductive stage via the BPG axis (spermatids to sperm) on \u0000luteinizing hormone (LH), 11KT, and 17α-hydroxyprogesterone (17P). At the same time, the HPS axis was involved in \u0000spermatogenesis via pituitary adenylate cyclase-activating polypeptide (PACAP) \u0000and its related peptide PRP (formerly known as GHRH-like peptide) in the brain, \u0000and growth hormone (GH) in the pituitary affected synthesis of insulin-like \u0000growth factor 1 (IGF1) in the liver.","PeriodicalId":62927,"journal":{"name":"生物物理化学(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42722397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2020-10-10DOI: 10.4236/jbpc.2020.114005
M. Baskar, Anju Patania
A dark and lead to silver grey soft irregular-shaped with heavy weight stone has been analysed as a part of research work for determining the components of the stone thereby leading to identify curiously to pinpoint whether the stone is in a category of gemstone, radioactive elements, raw or ingredients for making a powerful bomb or otherwise. In addition to the physical and optical parameters measured such as specific gravity, hardness, luster, transparency, cleavage, streak and other associated minerals for identification of unknown stone, Powder X-ray diffraction (PXRD) is one of the primary techniques in identification of minerals to examine the physico-chemical make-up of unknown materials, and has also been employed using Philips, DY993 X-ray Powder Diffractometer. The diffraction spectrum has been measured with the proportional counter in the 2° to 100° range at room temperature 300 K. This study reveals that the stone is not a category of precious stone; instead it is a category of mineral deposition, PbS, Galena.
{"title":"X-Ray Powder Diffraction Data—Identification and Structure Elucidation of Unknown Stone—Rietveld Refinement Approach","authors":"M. Baskar, Anju Patania","doi":"10.4236/jbpc.2020.114005","DOIUrl":"https://doi.org/10.4236/jbpc.2020.114005","url":null,"abstract":"A dark and lead to silver grey soft irregular-shaped with heavy weight stone has been analysed as \u0000a part of research work for determining the components of the stone thereby \u0000leading to identify curiously to \u0000pinpoint whether the stone is in a category of gemstone, radioactive elements, \u0000raw or ingredients for making a powerful bomb or otherwise. In addition to the \u0000physical and optical parameters measured such as specific gravity, hardness, luster, \u0000transparency, cleavage, streak and other associated minerals for identification \u0000of unknown stone, Powder X-ray diffraction (PXRD) is one of the primary \u0000techniques in identification of minerals to examine the physico-chemical \u0000make-up of unknown materials, and has also been employed \u0000using Philips, DY993 X-ray Powder Diffractometer. The diffraction spectrum has \u0000been measured with the proportional counter in the 2° to 100° range at room \u0000temperature 300 K. This study reveals that the stone is not a category of \u0000precious stone; instead it is a category of mineral deposition, PbS, Galena.","PeriodicalId":62927,"journal":{"name":"生物物理化学(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44389298","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2020-08-06DOI: 10.4236/jbpc.2020.113003
Hm Henk Buck
At the moment, we see a great interest for application of Anti Sense Oligonucleotides (ASOs) in order to regulate the expression of genes related to certain diseases. These nucleotides obtained a number of fascinating properties by means of chemical manipulation of natural DNA and RNA under conservation of Watson-Crick base-pairing. About 35 years ago for our research in this field, we selected synthetically (short) phosphate-methylated DNA and RNA. It was concluded that there is an exclusive selection in hybridization affinity with natural DNA and RNA. These (bio)chemical and physical-chemical properties are extensively published. ASOs have found their way in public health as is clearly shown in the treatment of (progressive) neurological diseases. We focus specifically on the past, present and future of the phosphate-methylated oligonucleotides, illustrated with different research studies in chemistry and biophysics. A new field of application of modified DNAs is based on interactive improvements of sensitivity and specificity of nanowire field effect transistor gene chip by designing phosphate-methylated DNA as probe.
{"title":"Phosphate-Methylated Oligonucleotides Past, Present and Future","authors":"Hm Henk Buck","doi":"10.4236/jbpc.2020.113003","DOIUrl":"https://doi.org/10.4236/jbpc.2020.113003","url":null,"abstract":"At the moment, we see a great interest for application of Anti Sense Oligonucleotides (ASOs) in order to regulate the \u0000expression of genes related to certain diseases. These nucleotides obtained a number \u0000of fascinating properties by means of chemical manipulation of natural DNA and \u0000RNA under conservation of Watson-Crick base-pairing. About 35 years ago for our \u0000research in this field, we selected synthetically (short) phosphate-methylated DNA and RNA. It was concluded that there is an exclusive selection in \u0000hybridization affinity with natural DNA and RNA. These (bio)chemical and \u0000physical-chemical properties are extensively published. ASOs have found their way in public health as is clearly shown in the \u0000treatment of (progressive) neurological diseases. We focus specifically \u0000on the past, present and future of the phosphate-methylated \u0000oligonucleotides, illustrated with different research studies in chemistry and biophysics. A new field of \u0000application of modified DNAs is based on interactive improvements of \u0000sensitivity and specificity of nanowire field effect transistor gene chip by \u0000designing phosphate-methylated DNA as probe.","PeriodicalId":62927,"journal":{"name":"生物物理化学(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47861098","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2020-05-22DOI: 10.4236/JBPC.2020.112002
M. Baskar, N. Sathyan
Endohedral fullerene studies are the fascinating one, particularly with Carbon 60 and Carbon 70. Water molecules inside fullerenes alter their cage structure, reorientations make them to play a lot in charge distribution. In this line we are presenting our work on Carbon 70 with three water molecules inside. Ab initio SCF calculations are carried out for the fullerene Carbon 70 and Carbon 70 with three water molecules. Carbon 70 is a rugby ball structure, when three water molecules are added inside it, dissociation of charges takes place. Unusual flip flop circular hydrogen bond formation takes place inside Carbon 70. The dipole moment of endohedral C70 with three water molecules has been found to be 0.53 Debye, 0.49 Debye and 0.71 Debye respectively for STO-3G, 3-21G and 6-31G basis sets. Total energies for this molecule are reported in addition to the Hydrogen bond length and bond angles of the three water molecules trapped inside C70.
{"title":"Water Molecules in Carbon 70, (H2O)3@C70","authors":"M. Baskar, N. Sathyan","doi":"10.4236/JBPC.2020.112002","DOIUrl":"https://doi.org/10.4236/JBPC.2020.112002","url":null,"abstract":"Endohedral fullerene studies are the fascinating one, particularly with \u0000Carbon 60 and Carbon 70. Water molecules inside fullerenes \u0000alter their cage structure, reorientations make them to play a lot in charge \u0000distribution. In this line we are presenting our work on Carbon 70 with three \u0000water molecules inside. Ab initio SCF calculations \u0000are carried out for the fullerene Carbon 70 and Carbon 70 with three water molecules. Carbon 70 is a rugby ball \u0000structure, when three water molecules are added inside it, dissociation of \u0000charges takes place. Unusual flip flop \u0000circular hydrogen bond formation takes place inside Carbon 70. The dipole moment of endohedral C70 with \u0000three water molecules has been found to be 0.53 Debye, 0.49 Debye and \u00000.71 Debye respectively for STO-3G, 3-21G and 6-31G basis sets. Total energies \u0000for this molecule are reported in addition to \u0000the Hydrogen bond length and bond angles of the three water molecules \u0000trapped inside C70.","PeriodicalId":62927,"journal":{"name":"生物物理化学(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45696420","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2020-02-26DOI: 10.4236/jbpc.2020.111001
Ganame Abdou-Salam, O. Honoré, Zougmoré François
In this paper, we perform experiments on the drying of widely consumed food products in Africa. Tomatoes and peppers are considered as products with a complex structure. Zucchini, cucumber, eggplant and cabbages are the other products used in these drying experiments, having different intrinsic parameters. Most food products have three components, namely skin, flesh containing seeds and the central spongy structure, that do not have the same behavior during their convective drying. Skin is the component that significantly reduces drying while the flesh is easy to dry. By drying the samples considering their intrinsic parameters, one quickly realizes the complex nature of mass and heat transfers during the drying of biological products.
{"title":"Taking into Account the Complex Nature and the Intrinsic Parameters of Agro-Food","authors":"Ganame Abdou-Salam, O. Honoré, Zougmoré François","doi":"10.4236/jbpc.2020.111001","DOIUrl":"https://doi.org/10.4236/jbpc.2020.111001","url":null,"abstract":"In this paper, we perform experiments on the drying of widely consumed \u0000food products in Africa. Tomatoes and peppers are \u0000considered as products with a complex structure. Zucchini, cucumber, eggplant \u0000and cabbages are the other products used in \u0000these drying experiments, having different intrinsic parameters. Most \u0000food products have three components, namely skin, flesh containing seeds and \u0000the central spongy structure, that do not have the same behavior during their \u0000convective drying. Skin is the component that significantly reduces drying while the flesh is easy to dry. By \u0000drying the samples considering their intrinsic parameters, one quickly \u0000realizes the complex nature of mass and heat transfers during the drying of \u0000biological products.","PeriodicalId":62927,"journal":{"name":"生物物理化学(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47834046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-05-28DOI: 10.4236/jbpc.2019.102002
D. Ito, Takanari Ikeda, K. Taga, Yasushi Yamamoto, Z. Shervani, Masato Yamamoto
We have investigated the morphology of dimyristoyl phosphatidyl choline (DMPC)—cholesterol mixed monolayer formed on the water surface by dropping method using surface tension measurement (STm), Brewster angle microscopy (BAM), and infrared external reflection spectroscopy (IERS). STm results showed negative deviation of the limiting molecular area (A0) of cholesterol occurred when cholesterol was added to the DMPC monolayer. BAM images showed the expandable DMPC monolayer changed to the condensed rigid monolayer at more than cholesterol mole fraction (xChol) 0.4. IERS recordings showed that the addition of cholesterol at xChol = 0.4 occurred structural change from gauche- to trans- conformation of two DMPC molecule alkyl chains. From these results, it is found that cholesterol molecule has specific properties that cause structural transition of DMPC molecule alkyl chains.
{"title":"Structural Change in Dimyristoyl Phosphatidyl Choline (DMPC) Molecule Alkyl Chains on the Addition of Cholesterol to DMPC Monolayer: Specific Addition Effect of Cholesterol","authors":"D. Ito, Takanari Ikeda, K. Taga, Yasushi Yamamoto, Z. Shervani, Masato Yamamoto","doi":"10.4236/jbpc.2019.102002","DOIUrl":"https://doi.org/10.4236/jbpc.2019.102002","url":null,"abstract":"We have investigated the morphology of dimyristoyl phosphatidyl choline \u0000(DMPC)—cholesterol mixed monolayer formed on \u0000the water surface by dropping method using surface tension measurement \u0000(STm), Brewster angle microscopy (BAM), and infrared external reflection \u0000spectroscopy (IERS). STm results showed negative deviation of the limiting \u0000molecular area (A0) of cholesterol \u0000occurred when cholesterol was added to the DMPC monolayer. BAM images showed \u0000the expandable DMPC monolayer changed to the condensed rigid monolayer at more \u0000than cholesterol mole fraction (xChol) \u00000.4. IERS recordings showed that the addition of cholesterol at xChol = 0.4 occurred structural \u0000change from gauche- to trans- conformation \u0000of two DMPC molecule alkyl chains. From these \u0000results, it is found that cholesterol molecule has specific properties \u0000that cause structural transition of DMPC molecule alkyl chains.","PeriodicalId":62927,"journal":{"name":"生物物理化学(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45964169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-03-28DOI: 10.4236/JBPC.2019.101001
E. Alvareda, F. Iribarne, V. Espinosa, P. Miranda, D. Santi, S. Aguilera, S. Bustos, M. P. Zunini
The use of food additives with xanthine oxidase (XO) inhibitory activity offers an alternative approach to hyperuricemic and gout disease treatment, and provides an example of antioxidant nutraceutics. The in vitro and in silico XO inhibitory activity of polyphenols from Uruguayan Tannat grape pomaces and propolis extracts was evaluated as well as the scavenging capacity of said compounds. When comparing propolis and grape pomace samples, the in vitro studies demonstrated that polyphenols extracted from propolis are more active as free radical scavengers than those from Tannat grape pomace. Both natural products effectively inhibited XO but the capacity of phenols present in GP is higher than the one present in P. The high content of anthocyanins in GP, absent in P, could account for this observation. In silico assays allowed us to determine relevant ligand-receptor interactions between polyphenols, from a database built with previously reported polyphenols from both natural products, and the active site of XO. The in silico results showed that compound (E)-isoprenylcaffeate from propolis was the best potential XO inhibitor displaying hydrophobic aromatic interaction between the conjugated ring of the caffeate moiety and polar interactions between hydroxyl groups from caffeate with the active site polar residues. Among grape pomaces, the Cyanidin-3-O-(6-(E)-p-coumaroyl)-glucoside was the best XO inhibitor; its moiety oxychromenyl being relevant to the docking stabilization. All these results lead us to propose Uruguayan propolis and Tannat grape pomace extracts as food additives as well as phytopharmaceuticals to decrease the uric acid levels in gout disease and to act against oxidative stress.
{"title":"In Silico and in Vitro Approach for the Understanding of the Xanthine Oxidase Inhibitory Activity of Uruguayan Tannat Grape Pomace and Propolis Poliphenols","authors":"E. Alvareda, F. Iribarne, V. Espinosa, P. Miranda, D. Santi, S. Aguilera, S. Bustos, M. P. Zunini","doi":"10.4236/JBPC.2019.101001","DOIUrl":"https://doi.org/10.4236/JBPC.2019.101001","url":null,"abstract":"The use of food additives with xanthine oxidase (XO) inhibitory activity offers an alternative approach to hyperuricemic and gout disease treatment, and provides an example of antioxidant nutraceutics. The in vitro and in silico XO inhibitory activity of polyphenols from Uruguayan Tannat grape pomaces and propolis extracts was evaluated as well as the scavenging capacity of said compounds. When comparing propolis and grape pomace samples, the in vitro studies demonstrated that polyphenols extracted from propolis are more active as free radical scavengers than those from Tannat grape pomace. Both natural products effectively inhibited XO but the capacity of phenols present in GP is higher than the one present in P. The high content of anthocyanins in GP, absent in P, could account for this observation. In silico assays allowed us to determine relevant ligand-receptor interactions between polyphenols, from a database built with previously reported polyphenols from both natural products, and the active site of XO. The in silico results showed that compound (E)-isoprenylcaffeate from propolis was the best potential XO inhibitor displaying hydrophobic aromatic interaction between the conjugated ring of the caffeate moiety and polar interactions between hydroxyl groups from caffeate with the active site polar residues. Among grape pomaces, the Cyanidin-3-O-(6-(E)-p-coumaroyl)-glucoside was the best XO inhibitor; its moiety oxychromenyl being relevant to the docking stabilization. All these results lead us to propose Uruguayan propolis and Tannat grape pomace extracts as food additives as well as phytopharmaceuticals to decrease the uric acid levels in gout disease and to act against oxidative stress.","PeriodicalId":62927,"journal":{"name":"生物物理化学(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47552026","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The new epigenetic elements 5-hydroxymethyl-dC, 5-formyl-dC, and 5-car- boxy-dC may be considered as intermediates of an active demethylation process. A comprehensive mechanistic model is given for the C-C bond cleavage focused on the chemistry within the DNA duplex structure. In addition we register spin-off chemistry of this process in evaluating new duplex systems closely related to natural DNA and RNA concerning their hydrogen-bond symmetrization. A model is composed for a base-specific inhibition of G and C on the DNA and RNA level. C-G combinations are of general importance in controlling the dynamics of gene expression. In some way the suggested model systems are related to antisense oligonucleotides (ASOs).
{"title":"DNA-Like Duplex Structures Derived from Chemistry Based on 2’-Deoxy-Cytidine: A New Model for Base-Specific Inhibition of G and C on DNA and RNA Level","authors":"H. Buck","doi":"10.4236/jbpc.2018.93003","DOIUrl":"https://doi.org/10.4236/jbpc.2018.93003","url":null,"abstract":"The new epigenetic elements 5-hydroxymethyl-dC, 5-formyl-dC, and 5-car- boxy-dC may be considered as intermediates of an active demethylation process. A comprehensive mechanistic model is given for the C-C bond cleavage focused on the chemistry within the DNA duplex structure. In addition we register spin-off chemistry of this process in evaluating new duplex systems closely related to natural DNA and RNA concerning their hydrogen-bond symmetrization. A model is composed for a base-specific inhibition of G and C on the DNA and RNA level. C-G combinations are of general importance in controlling the dynamics of gene expression. In some way the suggested model systems are related to antisense oligonucleotides (ASOs).","PeriodicalId":62927,"journal":{"name":"生物物理化学(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47912791","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Experimental scenario of the world being successful in planting water molecule at binary level in fullerene C70 is of utmost importance to pursue the theoretical properties of predictive triple water molecules and poly water molecules in Vander Waals confined space like fullerenes. Here, we present a paper in these lines of exploration of embedding triple water molecules in a Carbon confined space through the studies of behavior of three water molecules in Fullerene C60 by ab-initio methods. This heterogeneous system manifests cyclic hydrogen bonds which may be working with flipping actions. The unusual structural property of water trimers is reported. There exists a dipole moment of 0.9 ± 0.1 Debye which indicates the probable semiconductor properties.
{"title":"Water Molecules in the Carbon C60 Confined Space","authors":"M. Baskar, N. Sathyan, T. D. R. Nair","doi":"10.4236/jbpc.2018.92002","DOIUrl":"https://doi.org/10.4236/jbpc.2018.92002","url":null,"abstract":"Experimental scenario of the world being successful in planting water molecule at binary level in fullerene C70 is of utmost importance to pursue the theoretical properties of predictive triple water molecules and poly water molecules in Vander Waals confined space like fullerenes. Here, we present a paper in these lines of exploration of embedding triple water molecules in a Carbon confined space through the studies of behavior of three water molecules in Fullerene C60 by ab-initio methods. This heterogeneous system manifests cyclic hydrogen bonds which may be working with flipping actions. The unusual structural property of water trimers is reported. There exists a dipole moment of 0.9 ± 0.1 Debye which indicates the probable semiconductor properties.","PeriodicalId":62927,"journal":{"name":"生物物理化学(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44621854","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
C. Broadhurst, W. Schmidt, Julie K. Nguyen, J. Qin, K. Chao, M. Kim
Specialized pro-resolving mediators provide promising targets for new drugs and natural products. Much work has been accomplished on the structure/ function of the lipoxygenase and cyclooxygenase enzymes but not on the substrates. A better visualization of three-dimensional lipid structures will allow increased refinement of the interactions that produce the pro-resolving mediators, and lead to improvements in synthetic pathways. We present systematic analysis of oleic (18:1n-9), linoleic (18:2n-6), alpha-linolenic (18:3n-3), arachidonic (20:4n-6), docosapentaenoic (22:5n-3), and docosahexaenoic (22:6n-3) acids. Continuous gradient temperature Raman spectroscopy (GTRS) applies the temperature gradients utilized in differential scanning calorimetry to Raman spectroscopy. GTRS can identify and differentiate specific carbon chain sites, finally allowing Raman analysis to explain why the long-chain polyunsaturated fatty acids (LC-PUFA) exhibit such extreme functional differences despite minimal changes in chemical structure. Detailed vibrational analysis of the important frequency ranges 1450 - 1200 cm-1 (includes CH2 bending and twisting) and 1750 - 1425 cm-1 (includes C=C stretching and C-C stretching plus H-C in-plane rocking) shows for the first time that each molecule has its own characteristic set of modes with only some redundancy/commonality. The number and frequency of modes correlates with three-dimensional molecular structure, not the degree of unsaturation. The high degree of specificity of lipoxygenase and cyclooxygenase enzymes should be reconsidered in light of the fact that individual sites on the polyunsaturated fatty acid chain are nonequivalent, and each LC-PUFA molecule has an individual, specific three dimensional structure incorporating torsion.
{"title":"Gradient Temperature Raman Spectroscopy of Fatty Acids with One to Six Double Bonds Identifies Specific Carbons and Provides Systematic Three Dimensional Structures","authors":"C. Broadhurst, W. Schmidt, Julie K. Nguyen, J. Qin, K. Chao, M. Kim","doi":"10.4236/JBPC.2018.91001","DOIUrl":"https://doi.org/10.4236/JBPC.2018.91001","url":null,"abstract":"Specialized pro-resolving mediators provide promising targets for new drugs and natural products. Much work has been accomplished on the structure/ function of the lipoxygenase and cyclooxygenase enzymes but not on the substrates. A better visualization of three-dimensional lipid structures will allow increased refinement of the interactions that produce the pro-resolving mediators, and lead to improvements in synthetic pathways. We present systematic analysis of oleic (18:1n-9), linoleic (18:2n-6), alpha-linolenic (18:3n-3), arachidonic (20:4n-6), docosapentaenoic (22:5n-3), and docosahexaenoic (22:6n-3) acids. Continuous gradient temperature Raman spectroscopy (GTRS) applies the temperature gradients utilized in differential scanning calorimetry to Raman spectroscopy. GTRS can identify and differentiate specific carbon chain sites, finally allowing Raman analysis to explain why the long-chain polyunsaturated fatty acids (LC-PUFA) exhibit such extreme functional differences despite minimal changes in chemical structure. Detailed vibrational analysis of the important frequency ranges 1450 - 1200 cm-1 (includes CH2 bending and twisting) and 1750 - 1425 cm-1 (includes C=C stretching and C-C stretching plus H-C in-plane rocking) shows for the first time that each molecule has its own characteristic set of modes with only some redundancy/commonality. The number and frequency of modes correlates with three-dimensional molecular structure, not the degree of unsaturation. The high degree of specificity of lipoxygenase and cyclooxygenase enzymes should be reconsidered in light of the fact that individual sites on the polyunsaturated fatty acid chain are nonequivalent, and each LC-PUFA molecule has an individual, specific three dimensional structure incorporating torsion.","PeriodicalId":62927,"journal":{"name":"生物物理化学(英文)","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49530060","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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