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Alpha D Glucose Density

Alpha-d-glucose Pentaacetate

Alpha-d-glucose Pentaacetate

alpha-D-Glucose pentaacetate Specification The alpha-D-Glucose pentaacetate is an organic compound with the formula C16H22O11. The IUPAC name of this chemical is [(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetate. With the CAS registry number 3891-59-6, it is also named as 1,2,3,4,6-Penta-O-acetyl-a-D-glucopyranose. Physical alpha-D-Glucose pentaacetate are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.15; (6)ACD/BCF (pH 7.4): 11.15; (7)ACD/KOC (pH 5.5): 195.56; (8)ACD/KOC (pH 7.4): 195.56; (9)#H bond acceptors: 11; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 140.732; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 85 cm3; (14)Molar Volume: 298 cm3; (15)Polarizability: 33.6910-24cm3; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.3 g/cm3; (18)Flash Point: 188.1 C; (19)Enthalpy of Vaporization: 69.09 kJ/mol; (20)Boiling Point: 434.8 C at 760 mmHg; (21)Vapour Pressure: 9.23E-08 mmHg at 25C. You can still convert the following datas into molecular structure: (1)SMILES: O=C(O[C@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C) (2)InChI: InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1 Continue reading >>

Glucose

Glucose

This article is about the naturally occurring D-form of glucose. For the L-form, see L-Glucose. Glucose is a simple sugar with the molecular formula C6H12O6, which means that it is a molecule that is made of six carbon atoms, twelve hydrogen atoms, and six oxygen atoms. Glucose circulates in the blood of animals as blood sugar. It is made during photosynthesis from water and carbon dioxide, using energy from sunlight. It is the most important source of energy for cellular respiration. Glucose is stored as a polymer, in plants as starch and in animals as glycogen. With six carbon atoms, it is classed as a hexose, a subcategory of the monosaccharides. D-Glucose is one of the sixteen aldohexose stereoisomers. The D-isomer, D-glucose, also known as dextrose, occurs widely in nature, but the L-isomer, L-glucose, does not. Glucose can be obtained by hydrolysis of carbohydrates such as milk sugar (lactose), cane sugar (sucrose), maltose, cellulose, glycogen, etc. It is commonly commercially manufactured from cornstarch by hydrolysis via pressurized steaming at controlled pH in a jet followed by further enzymatic depolymerization.[3] In 1747, Andreas Marggraf was the first to isolate glucose.[4] Glucose is on the World Health Organization's List of Essential Medicines, the most important medications needed in a basic health system.[5] The name glucose derives through the French from the Greek γλυκός, which means "sweet," in reference to must, the sweet, first press of grapes in the making of wine.[6][7] The suffix "-ose" is a chemical classifier, denoting a carbohydrate. Function in biology[edit] Glucose is the most widely used aldohexose in living organisms. One possible explanation for this is that glucose has a lower tendency than other aldohexoses to react nonspecific Continue reading >>

Principles Of Biochemistry/the Carbohydrates: Monosaccharides, Disaccharides And Polysaccharides

Principles Of Biochemistry/the Carbohydrates: Monosaccharides, Disaccharides And Polysaccharides

Principles of Biochemistry/The Carbohydrates: Monosaccharides, Disaccharides and Polysaccharides From Wikibooks, open books for an open world Earlier the name "carbohydrate" was used in chemistry for any compound with the formula Cm(H2O)n. Following this definition, some chemists considered formaldehyde CH2O to be the simplest carbohydrate, while others claimed that title for glycolaldehyde. Today the term is generally understood in the biochemistry sense, which excludes compounds with only one or two carbons. Natural saccharides are generally built of simple carbohydrates called monosaccharides with general formula (CH2O)n where n is three or more. A typical monosaccharide has the structure H-(CHOH)x(C=O)-(CHOH)y-H, that is, an aldehyde or ketone with many hydroxyl groups added, usually one on each carbon atom that is not part of the aldehyde or ketone functional group . Examples of monosaccharides are glucose , fructose, and glyceraldehyde. However, some biological substances commonly called "monosaccharides" do not conform to this formula (e.g., uronic acids and deoxy-sugars such as fucose ), and there are many chemicals that do conform to this formula but are not considered to be monosaccharides (e.g., formaldehyde CH2O and inositol (CH2O)6). The open-chain form of a monosaccharide often coexists with a heterocyclic compound|closed ring form where the aldehyde / ketone carbonyl group carbon (C=O) and hydroxyl group (-OH) react forming a hemiacetal with a new C-O-C bridge. Monosaccharides can be linked together into what are called polysaccharides (or oligosaccharides) in a large variety of ways. Many carbohydrates contain one or more modified monosaccharide units that have had one or more groups replaced or removed. For example, deoxyribose, a component of DNA, is Continue reading >>

Ecmdb: 1,4-alpha-d-glucan (ecmdb21110) (m2mdb001519)

Ecmdb: 1,4-alpha-d-glucan (ecmdb21110) (m2mdb001519)

1,4-alpha-D-glucan (ECMDB21110) (M2MDB001519) Amylose is a linear polymer made up of D-glucose units.; Amylose is defined as a linear molecule of (14) linked alpha-D-glucopyranosyl units, but it is today well established that some molecules are slightly branched by (16)-alpha-linkages. ; The oldest criteria for linearity consisted in the susceptibility of the molecule to complete hydrolysis by beta-amylase. This enzyme splits the (14) bonds from the non-reducing end of a chain releasing beta-maltosyl units, but cannot cleave the (16) bonds. When degraded by pure beta-amylase, linear macromolecules are completely converted into maltose, whereas branched chains give also one beta-limit dextrin consisting of the remaining inner core polysaccharide structure with its outer chains recessed.; Starches of different botanical origins possess different granular sizes, morphology, polymorphism and enzyme digestibility. These characteristics are related to the chemical structures of the amylopectin and amylose and how they are arranged in the starch granule. (PMID 9730163); Fiber X-ray diffraction analysis coupled with computer-based structure refinement has found A-, B-, and C- polymorphs of amylose. Each form corresponds to either the A-, the B-, or the C- starch forms. A- and B- structures have different helical crystal structures and water contents, whereas the C- structure is a mixture of A- and B- unit cells, resulting in an intermediate packing density between the two forms.; This polysaccharide is one of the two components of starch, making up approximately 20-30% of the structure. The other component is amylopectin, which makes up 70-80% of the structure. Buleon, A., Colonna, P., Planchot, V., Ball, S. (1998). "Starch granules: structure and biosynthesis." Int J Biol Mac Continue reading >>

Showing Compound Alpha-d-glucopyranose (fdb011829)

Showing Compound Alpha-d-glucopyranose (fdb011829)

Showing Compound alpha-D-Glucopyranose (FDB011829) A primary source of energy for living organisms. It is naturally occurring and is found in fruits and other parts of plants in its free state. It is used therapeutically in fluid and nutrient replacement. OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181. This project is supported by The Metabolomics Innovation Centre (TMIC) , a nationally-funded research and core facility that supports a wide range of cutting-edge metabolomic studies. TMIC is funded by Genome Alberta , Genome British Columbia , and Genome Canada , a not-for-profit organization that is leading Canada's national genomics strategy with $900 million in funding from the federal government. Continue reading >>

Carbohydrate Primer

Carbohydrate Primer

A carbohydrate is an organic compound with the empirical formula Cm(H2O)nwhere m could be different fromn. Synonym of saccharide. Saccharides have several characteristics thatdifferentiate them. These include Cyclic saccharides are classified as alpha or beta isomers based on theposition of the OH on the anomeric carbon relative to the large group onthe ring. If your protein was produced in an insect or yeast cellline, you should only have NAG and MAN sugars, otherwiseyou should look at both types of PDB files to see whichfits the density better (if you have any density past themain, five sugar core). Mannose is a common saccharide in protein chemistry. There are twolinear isomers and two cyclic forms of each. The PDB code for each isdifferent because of the different restraints require for each. Aleading form of error in protein models with carbohydrates is the useof the three-letter code, MAN, which is for the alpha-D-mannose whenthat vast majority of units in saccharides are beta-D-mannose or BMA. NAG represents the beta form (the most common) and NDG is the alpha form. NAGis interesting because it's a saccharide with a substitute attached to theC2 carbon. Saccharides polymerise into tree like structures that covalently bind toproteins. The links between are generally between the anomeric carbon andan oxygen on the "preceding" units moving from the protein outwards on thechain. Consider the disaccharide, lactose. Note that the left saccharide is linked with its anomeric carbon via an oxygento the C4 carbon. The left unit is -D-galactose and the right is glucose.The link is known as -(1-4) because the "attaching" unit is and theit links C1 to C4. Continue reading >>

D-glucopyranose (chebi:4167)

D-glucopyranose (chebi:4167)

This entity has been manually annotated by the ChEBI Team. Any bacterial metabolite produced during a metabolic reaction in Any fungal metabolite produced during a metabolic reaction in Baker's yeast ( Any mammalian metabolite produced during a metabolic reaction in humans ( Any mammalian metabolite produced during a metabolic reaction in a mouse ( -glucopyranose ( CHEBI:4167 ) has role Escherichia coli metabolite ( CHEBI:76971 ) -glucopyranose ( CHEBI:4167 ) has role Saccharomyces cerevisiae metabolite ( CHEBI:75772 ) -glucopyranose ( CHEBI:4167 ) has role human metabolite ( CHEBI:77746 ) -glucopyranose ( CHEBI:4167 ) has role mouse metabolite ( CHEBI:75771 ) -glucopyranose ( CHEBI:4167 ) is a glucopyranose ( CHEBI:37661 ) -glucopyranosyl ester ( CHEBI:62436 ) has functional parent -glucosyl ester ( CHEBI:133910 ) has functional parent -glucopyranose ( CHEBI:47977 ) has functional parent -glucopyranose ( CHEBI:49126 ) has functional parent -glucopyranose ( CHEBI:84755 ) has functional parent -glucose ( CHEBI:15866 ) has functional parent -glucopyranose ( CHEBI:72725 ) has functional parent -glucose-6-phosphate ( CHEBI:75150 ) has functional parent -glucose ( CHEBI:17901 ) has functional parent -glucos-6-yl corynomycolate ( CHEBI:74256 ) has functional parent 6-tuliposide A ( CHEBI:72781 ) has functional parent 6-tuliposide B ( CHEBI:87124 ) has functional parent -glucopyranose 1-phosphate ( CHEBI:16077 ) has functional parent -glucopyranose 6-phosphate ( CHEBI:4170 ) has functional parent -glucopyranose 6-phosphate(2) ( CHEBI:61548 ) has functional parent agrocinopine C ( CHEBI:82807 ) has functional parent -glucose mono(keto-meromycolate) ( CHEBI:74255 ) has functional parent glucose 6-monomycolate ( CHEBI:59474 ) has functional parent glucose 6-monomycolate (C36) ( Continue reading >>

Glucose

Glucose

Previous (Glucagon) Next (Glutamic acid) Chemical name 6-(hydroxymethyl)oxane-2,3,4,5-tetrol Glucose (Glc) is a monosaccharide (or simple sugar) with the chemical formula C6H12O6. It is the major free sugar circulating in the blood of higher animals, and the preferred fuel of the brain and nervous system, as well as red blood cells (erythrocytes). As a universal substrate (a molecule upon which an enzyme acts) for the production of cellular energy, glucose is of central importance in the metabolism of all life forms. It is one of the main products of photosynthesis, the process by which photoautotrophs such as plants and algae convert energy from sunlight into potential chemical energy to be used by the cell. Glucose is also a major starting point for cellular respiration, in which the chemical bonds of energy-rich molecules such as glucose are converted into energy usable for life processes. Glucose stands out as a striking example of the complex interconnectedness of plants and animals: the plant captures solar energy into a glucose molecule, converts it to a more complex form(starch or cellulose) that is eaten by animals, which recover the original glucose units, deliver it to their cells, and eventually use that stored solar energy for their own metabolism. Milk cows, for example, graze on grass as a source of cellulose, which they break down to glucose using their four-chambered stomachs. Some of that glucose then goes into the milk we drink. As glucose is vital for the human body and for the brain, it is important to maintain rather constant blood glucose levels. For those with diabetes mellitus, a disease where glucose levels in the blood get too high, personal responsibility (i.e. self management) is the key for treatment. For diabetes there is usually a complex Continue reading >>

Molecular Recognition Of Carbohydrates

Molecular Recognition Of Carbohydrates

Carbohydrates are poly hydroxy compounds which form a ring structure in water. The smallest building block is called a monosaccharide of which polysacharides consist of. Example: D-glucose is shown in its linear (center), as a pyranose (>99% in water), and as a pentose. In this cyclyzation process an alpha (top right) and a beta anomer (bottom right) are formed which are shown in a ball and stick model (oxygen atom in red) Example: Two disaccharides which consist of D-glucose units are shown. In maltose the glucose units are connected with anomeric center (1) in alpha configuration to the second unit at the 4 position. Cellobiose differs from maltose only in the configuration of the linking anomeric center. Consequently the corresponding polymers do have a different biological function. Starch which is the polymer of maltose can be digested by humans whereas cellulose cannot. Carbohydrate-carbohydrate interactions are the initial step in cell recognition and in many other important biological processes.Understanding these molecular interactions at atomic level will be valuable in the design of specific receptors for carbohydrates.X-ray structures of glycoproteins do not often show a resolved carbohydrate part which make modeling studies even more important. Development of the computational framework: Optimizing parameters of the potential energy functions . Pure liquid simulations: The parameters describing the inter-molecular interactions (q, A, C) are optimized to reproduce some physical properties such as the heat of vaporization and the density of a pure liquid. Rotational profiles: The parameters describing the intra-molecular interactions (V, q, A,C) are optimized to reproduce energetics of the conformations in the gas phase. Simple carbohydrates such as monosacc Continue reading >>

Phosphoryl Transfer From -d-glucose 1-phosphate Catalyzed By Escherichia Coli Sugar-phosphate Phosphatases Of Two Protein Superfamily Types

Phosphoryl Transfer From -d-glucose 1-phosphate Catalyzed By Escherichia Coli Sugar-phosphate Phosphatases Of Two Protein Superfamily Types

Oligonucleotide primers used for molecular cloning of Agp Recipient E. coli strains were cultivated in 1-liter baffled shaken flasks at 37C at 110 rpm using Lennox medium containing 0.115 mg/ml ampicillin. When the optical density at 600 nm (OD600) had reached 0.8, the temperature was decreased to 18C prior to induction with isopropyl--d-thiogalactopyranoside (Agp, 0.01 mM; Had13, 0.4 mM). After 20 h, the cells were centrifuged at 4C and 4,420 g for 30 min (Sorvall RC-5B refrigerated superspeed centrifuge; Du Pont Instruments, Newtown, CT, USA). The pellet was resuspended in 50 mM MES [2-(N-morpholino)ethanesulfonic acid], pH 7.0 (Agp), or 50 mM HEPES, pH 7.0 (Had13), and frozen at 20C. The thawed cell suspension was passed twice through a French pressure cell (American Instruments, Silver Spring, MD, USA) at 150 105 Pa, and cell debris was removed by centrifugation at 4C and 20,000 g for 30 min. Agp was isolated from the crude extract with a Strep-Tactin sepharose column (IBA, Gttingen, Germany), using a general protocol described previously ( 51 ). Had13 was isolated using a Cu2+-loaded IMAC Sepharose High Performance column (GE Healthcare, Little Chalfont, United Kingdom) operated according to standard procedures. Pooled fractions containing Agp or Had13 were loaded on a Fractogel EMD-DEAE column (Merck, Darmstadt, Germany) and purified according to the standard protocol. Buffer exchange to 50 mM MES, pH 7.0 (Agp), or 50 mM HEPES, pH 7.0 (Had13), was performed using Amicon Ultra-15 centrifugal filter units (Millipore, Billerica, MA, USA). Unless otherwise indicated, all subsequent experiments were done in 50 mM MES (Agp) or 50 mM HEPES supplemented with 5.0 mM MgCl2 (Had13) buffer, each pH 7.0. Purification was monitored by SDS-PAGE; protein bands were visualized by Continue reading >>

Glucose Becomes One Of The Worst Carbon Sources For E.coli On Poor Nitrogen Sources Due To Suboptimal Levels Of Camp

Glucose Becomes One Of The Worst Carbon Sources For E.coli On Poor Nitrogen Sources Due To Suboptimal Levels Of Camp

Article | Open Glucose becomes one of the worst carbon sources for E.coli on poor nitrogen sources due to suboptimal levels of cAMP Scientific Reports volume 6, Articlenumber:24834 (2016) In most conditions, glucose is the best carbon source for E. coli: it provides faster growth than other sugars, and is consumed first in sugar mixtures. Here we identify conditions in which E. coli strains grow slower on glucose than on other sugars, namely when a single amino acid (arginine, glutamate, or proline) is the sole nitrogen source. In sugar mixtures with these nitrogen sources, E. coli still consumes glucose first, but grows faster rather than slower after exhausting glucose, generating a reversed diauxic shift. We trace this counterintuitive behavior to a metabolic imbalance: levels of TCA-cycle metabolites including -ketoglutarate are high, and levels of the key regulatory molecule cAMP are low. Growth rates were increased by experimentally increasing cAMP levels, either by adding external cAMP, by genetically perturbing the cAMP circuit or by inhibition of glucose uptake. Thus, the cAMP control circuitry seems to have a bug that leads to slow growth under what may be an environmentally rare condition. E. coli can utilize many different carbon and nitrogen sources. This generates a large number of possible combinations of nutrients. It is of interest to understand what guides decision making in this landscape of nutrient combinations, and whether the decisions made are optimal in terms of growth. The preferred carbon source for E. coli, as for many other bacteria, is glucose, supporting faster growth rate compared to other sugars. The best known example of preferential glucose utilization comes from the work of Monod on the glucose-lactose diauxic shift: E. coli first gr Continue reading >>

Mutarotation - An Overview | Sciencedirect Topics

Mutarotation - An Overview | Sciencedirect Topics

In the twenty-third volume of this serial publication, we offer a long-delayed but notable contribution, by Pigman and Isbell (New York and Washington), to the modem evaluation of the classical phenomenon of sugar mutarotation; these authors have published much significant work in this area. Ball and Parrish (Natick) update the chapter on carbohydrate sulfonates, written by Tipson, that appeared in Volume 8 (1953). Because of their length, each of these chapters has been divided in two; Part II of each will appear in a succeeding volume. Rosenthal (Vancouver) summarizes his many publications on the application of the oxo reaction to the carbohydrates. Paulsen and Todt (Hamburg) offer a review of the new and rapidly advancing subject of sugars containing nitrogen or sulfur as the hetero atom in the ringa topic that presents new and difficult problems in nomenclature. Greenwood and Milne (Edinburgh) present a discussion of starch enzymes, and Gorin and Spencer (Saskatchewan) discuss the structure of fungal polysaccharides. Shafizadeh (Montana) reviews recent activity in the study of the pyrolysis and combustion of cellulosic materials. An obituary of Clifford Purves is written by Perlin, who has succeeded Purves as E. D. Eddy Professor at McGill University. The editors note with regret the death of Dr. L. H. Cretcher, one of whose accomplishments in carbohydrate chemistry was the discovery of d-mannuronic acid in seaweed. The Subject Index was prepared by Dr. L. T. Capell. R.F. Tester, J. Karkalas, in Encyclopedia of Food Sciences and Nutrition (Second Edition) , 2003 Glucose crystallized from methanol has a melting point of 147C. When dissolved in water, it has an initial specific rotation of +113, which falls after several hours to +52.5. Glucose crystallized from wate Continue reading >>

Showing Compound 6-o-benzoyl-alpha-d-glucose (fdb007441)

Showing Compound 6-o-benzoyl-alpha-d-glucose (fdb007441)

Showing Compound 6-O-Benzoyl-alpha-D-glucose (FDB007441) 6-o-benzoyl-alpha-d-glucose is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. 6-o-benzoyl-alpha-d-glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). 6-o-benzoyl-alpha-d-glucose can be found in american cranberry, which makes 6-o-benzoyl-alpha-d-glucose a potential biomarker for the consumption of this food product. This compound belongs to the class of chemical entities known as benzoic acid esters. These are ester derivatives of benzoic acid. CRC / DFC (Dictionary of Food Compounds) ID Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004). This project is supported by The Metabolomics Innovation Centre (TMIC) , a nationally-funded research and core facility that supports a wide range of cutting-edge metabolomic studies. TMIC is funded by Genome Alberta , Genome British Columbia , and Genome Canada , a not-for-profit organization that is leading Canada's national genomics strategy with $900 million in funding from the federal government. Continue reading >>

Radiation-induced Radicals In Alpha-d-glucose: Comparing Dft Cluster Calculations With Magnetic Resonance Experiments

Radiation-induced Radicals In Alpha-d-glucose: Comparing Dft Cluster Calculations With Magnetic Resonance Experiments

Radiation-induced radicals in alpha-D-glucose: Comparing DFT cluster calculations with magnetic resonance experiments E. Pauwels, V. Van Speybroeck, M. Waroquier Spectrochimica Acta Part A (Mol. & biomol.) Using density functional theory (DFT) calculations, an enhanced theoretical examination was made of the radiation-induced radicals in alpha-d-glucose. For the carbon-centred radicals in this sugar, the effect of the model space on the radical geometry as well as on the calculated radical hyperfine coupling tensors was examined. The findings were compared with previously published tensors, as determined by electron paramagnetic resonance (EPR) experiments and single molecule DFT calculations. A cluster approach was adopted, in which intermolecular interactions (predominantly hydrogen bonds) between the radical species and its environment were explicitly incorporated. This substantially improved the correspondence with experimental findings in comparison with single molecule calculations of an earlier examination. In a direct comparison between both computational methods for the glucose radicals, it was shown that the extent of the model space plays an important part in the determination of the radical geometry. Furthermore, the model space also has an impact on the calculated hyperfine coupling tensors. Full cluster EPR calculations, in which the paramagnetic properties are calculated for the entire model space of the cluster, give an excellent agreement with the experimental EPR measurements. Open Access version available at UGent repository Continue reading >>

Analysis Of The Structure And Vibrational Spectra Of Glucose And Fructose | Hanane Moussa - Academia.edu

Analysis Of The Structure And Vibrational Spectra Of Glucose And Fructose | Hanane Moussa - Academia.edu

Analysis of the structure and vibrational spectra of glucose and fructose Ecltica Qumica ISSN: 0100-4670 [email protected] Universidade Estadual Paulista Jlio de Mesquita Filho Brasil Ibrahim, Medhat; Alaam, Moussa; El-Haes, Hanan; Jalbout, Abraham F.; de Leon, Aned Analysis of the structure and vibrational spectra of glucose and fructose Ecltica Qumica, vol. 31, nm. 3, julio-septiembre, 2006, pp. 15-21 Universidade Estadual Paulista Jlio de Mesquita Filho Araraquara, Brasil Available in: to citeComplete issue Scientific Information SystemMore information about this article Network of Scientific Journals from Latin America, the Caribbean, Spain and PortugalJournal's homepage in redalyc.org Non-profit academic project, developed under the open access initiative www.scielo.br/eq Volume 31, nmero 3, 2006 Analysis of the structure and vibrational spectra of glucose and fructose Medhat Ibrahim1, Moussa Alaam1, Hanan El-Haes2, Abraham F. Jalbout3, Aned de Leon4 1 Spectroscopy Department, National Research Center, NRC., Dokki, Cairo, Egypt. Faculty of Women for Arts, Science, and Education, Ain Shams University, Cairo, Egypt. 2 3 Institute of Chemistry, National Autonomous University of Mexico, Mexico City, Mexico 4 NASA Astrobiology Institute (NAI), Department of Chemistry and Steward Observatory, The University of Arizona, Tucson, AZ 85721 USAAbstract: Molecular modelling using semiempirical methods AM1, PM3, PM5 and, MINDO as wellas the Density Functional Theory method BLYP/DZVP respectively were used to calculate the struc-ture and vibrational spectra of d-glucose and d-fructose in their open chain, -anomer and -anomermonohydrate forms. The calculated data show that both molecules are not linear; ground state and thenumber for the point-group C is equal to 1. Generally Continue reading >>

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