symmetry and molecular orbitals
Simple Molecular Orbitals - Sigma and Pi Bonds in Molecules pot
... angles # H's shape 21 Lecture Molecular Orbital Diagrams Ethyne MOs We made two very simple molecular orbitals using hydrogen atoms (σ and σ*) and p orbitals (π and π*) above The process works ... The simplistic mathematics (add the 2p orbitals and subtract the 2p orbitals) and qualitative pictures generated via a similar method to the sigma molecular orbitals discussed above A really big ... visualizing or drawing a structure Your hands and your eyes will train your mind to see and draw what you are trying to understand and explain Organic chemistry and biochemistry are three dimensional...
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Delocalized and localized molecular orbitals
... Delocalized and localized molecular orbitals 2/5 Delocalized and localized molecular orbitals Orbtial energies shown in the figure above obey the Koopman's theorem and thus can be related ... Delocalized and localized molecular orbitals 4/5 Delocalized and localized molecular orbitals In this case, the localized MO's show the nature of each bond For instance, C=C has one sigma bond and one ... That means one can transform the delocalized MO into another set of MO and still does not change the total wavefunction and thus all observables of the molecule There are several ways that one...
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Tài liệu OXFORD DICTIONARY OF Biochemistry and Molecular Biology REVISED EDITION Managing Editor Professor pdf
... cortisol and the androgens dehydroepiandrosterone and androstenedione adrenaline see epinephrine adrenal medulla see adrenal gland adrenal medullary hormone any catecholamine hormone elaborated and ... produced by the adrenal glands the adrenal gland itself adrenal androgen any of the C19 steroid hormones produced in the cortex of the adrenal gland, including androstenedione and testosterone adrenal ... where p and A are phosphoric and adenosine residues, respectively, and a and n are small integers (a = 1, 2, or and n commonly = 2, 3, or 4) Potent inhibitors of protein biosynthesis in vivo and...
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Chemical bonding and molecular geometry( liên két hóa học và hình học phân tử)
... Chemical bonding and molecular geometry from Lewis to electron densities / R.i Gillespie, P.L.A Popelier p cm -(Topics in inorganic chemistry) Includes bibliographical references and index ISBN ... function L = - VZ p for L = au (blue) and L = 0.60 au (orange) The L = 0.60 surface shows the charge concentations corresponding to the lone pairs on the sulfur atom and torodial charge concentrations ... Oxford University Press Oxford New York Athens Auckland Bangkok Bogota Buenos Aires Calcutta Cape Town Chennai Dar es Salaam Delhi Florence Hong Kong...
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Chemical bonding and molecular geometry( liên kết hóa học và hình học phân tử)
... Chemical bonding and molecular geometry from Lewis to electron densities / R.i Gillespie, P.L.A Popelier p cm -(Topics in inorganic chemistry) Includes bibliographical references and index ISBN ... function L = - VZ p for L = au (blue) and L = 0.60 au (orange) The L = 0.60 surface shows the charge concentations corresponding to the lone pairs on the sulfur atom and torodial charge concentrations ... Oxford University Press Oxford New York Athens Auckland Bangkok Bogota Buenos Aires Calcutta Cape Town Chennai Dar es Salaam Delhi Florence Hong Kong...
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Tài liệu Báo cáo khoa học: Isolation and molecular characterization of a novel D-hydantoinase from Jannaschia sp. CCS1 docx
... puri, purified proteins; M, molecular weight standards For the molecular weight standards, the bands from top to bottom correspond to 116.0, 66.2, 45.0, 35.0, 25.0 and 18.4 kDa, respectively consistent ... extracts and the supernatant and precipitate fractions are shown in Fig It was found that E coli BL21(DE3) ⁄ pHYDJs and E coli BL21(DE3) ⁄ pHYDPf produced a predominant band with an apparent molecular ... SGL2 and SGL3, correspond to residues 60–71, 91–99 and 151–161, respectively On the basis of the homology model, the SGLs of HYDJs and HYDBp (PDB accession number 1NFG) were superimposed and compared...
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Tài liệu Báo cáo khoa học: Biochemical and molecular characterization of hazelnut (Corylus avellana) seed lipoxygenases pdf
... C6 and C9 aldehydes (and the corresponding alcohol) were detected in all the samples and, similarly to the pattern of LOX expression and activity, their levels were higher in stage I seed and ... the shelf life and the organoleptic features of hazelnut seeds, we carried out a study to characterize hazelnut lipoxygenases at the biochemical and molecular level Materials and methods Plant ... characterization To identify and characterize hazelnut lipoxygenases at the molecular level, we performed PCR experiments using hazelnut genomic DNA as template and the primers ML1 and ML2 bordering a...
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Tài liệu Báo cáo Y học: Insights into the reaction mechanism of Escherichia coli agmatinase by site-directed mutagenesis and molecular modelling ppt
... (AUH) and rat liver arginase (1rla) H, S, T and stands for a-helix, strand, turn and 310-helix Conserved residues are marked by an asterisk Identical behaviour was previously described, and confirmed ... ACCTATGCG-3¢) and the 3¢ complementary primer 5¢-AT TAATGGCATGCTTTACCCGT-3¢ Using the PCR products of agmatinase with the GfiA and CfiT substitutions in the coding and noncoding strands, respectively, and ... aligned with the sequences of 1CEV and 1RLA and pasted into the structural alignment The alignment was then corrected by hand Since the sequences of the two arginases and agmatinase greately differ...
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MORPHOGENESIS THE CELLULAR AND MOLECULAR PROCESSES OF DEVELOPMENTAL ANATOMY pptx
... and the molecular and cellular properties that generate them; these properties can be viewed as a morphogenetic tool kit (see Appendix 1) Chapter covers the molecular basis of morphogenesis and ... caterpillar (was he so wrong?) and hence within the egg At this point, reasonable scientific study was abandoned by many biologists and wish became the father of thought and the grandfather of observation: ... (e.g Raff& Kaufman, 1983, p.5) It is true that our understanding of both the genomic and the molecular basis of cell behaviour is limited and inadequate, but this truth is, in my view, thoroughly...
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Lab Exercises in Organismal and Molecular Microbiology_2 doc
... Alexander−Strete−Niles: Lab Exercises in Organismal and Molecular Microbiology 206 VI Controlling the Risk and Spread of Bacterial Infections 28 Skin Disinfection: Evaluating Antiseptics and Hand ... until the gel has disappeared and the hands are dry Alexander−Strete−Niles: Lab Exercises in Organismal and Molecular Microbiology 208 VI Controlling the Risk and Spread of Bacterial Infections ... Risk and Spread of Bacterial Infections 28 Skin Disinfection: Evaluating Antiseptics and Hand Sanitizers © The McGraw−Hill Companies, 2003 Skin Disinfection: Evaluating Antiseptics and Hand Sanitizers...
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Lab Exercises in Organismal and Molecular Microbiology_1 pot
... handling a specimen, and before you touch other objects such as drawer handles, door knobs, refrigerator handles, pens/pencils, and paper Wash hands thoroughly with soap and water after removing ... or wound on one of your hands, cover it with a plastic strip and wear disposable gloves for added protection xi Alexander−Strete−Niles: Lab Exercises in Organismal and Molecular Microbiology Front ... shapes and (b) cell arrangements in bacteria 25 Alexander−Strete−Niles: Lab Exercises in Organismal and Molecular Microbiology 26 I Survey of Microscopic Organisms Microbial Procaryotes:Bacteria and...
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Báo cáo khoa học: Assembly and molecular mode of action of the Helicobacter pylori Cag type IV secretion apparatus doc
... lack the cagPAI and are less virulent The Cag secretion system is responsible for the induction of a pronounced pro-inflammatory response in vitro and in vivo, and the translocation and subsequent ... cagPAI and the properties of both conserved and unique components of the Cag-T4SS, together with potential implications for the current understanding of its mode of action The cagPAI and the ... additional components, CagM and Cagd Both proteins have N-terminal signal sequences and were shown to be associated with the outer membrane and to interact with CagT, with CagX, and with each other [22,33]...
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Báo cáo khóa học: Biochemical and molecular characterization of a laccase from the edible straw mushroom, Volvariella volvacea docx
... Corresponding pH optima and specific activities for syringaldazine and 2,6-DMP were pH 5.6 and 3.4 UÆmg protein)1 and pH 4.6 and 2.8 UÆmg protein)1, respectively In standard assay mixtures, the ... agarose/Tris borate/EDTA gels and appropriate bands excised and purified from the gel using the NucleoTrap Gel Extraction Kit (Clontech) The purified DNA was precipitated with ethanol and resuspended in 10 ... operated for 410 Vh and standard pI markers (Pharmacia) The standard assay conducted in 0.1 M NaAc buffer (pH 5.0) over the range 30–65 °C was used to determine the optimal temperature, and the optimal...
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Báo cáo khoa học: NMR and molecular dynamics studies of an autoimmune myelin basic protein peptide and its antagonist Structural implications for the MHC II (I-Au)–peptide complex from docking calculations ppt
... various systems comprised 3899 and 4516 SPC molecules for the agonist and the antagonist in water, respectively, and 817 and 927 Me2SO molecules for the agonist and the antagonist, respectively, ... [82] and (B) sequence alignment of the Vb chain TCR(79–83), MBP(74–85) and MBP(95–103) P5 and P8 are prominent, solvent-exposed TCR contact residues of the MBP(86–105) peptide, and P4, P6 and ... and Glu82 [this is consistent with the observed long-range NOE cross-peak between the side chain of Arg78 (Hg) and Glu82 (Hc1) and the medium-range NOE between the side chains of Asp81 (Hb) and...
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Esophageal Cancer – Cell and Molecular Biology, Biomarkers, Nutrition and Treatment Edited by Ferdous Rastgar Jazii Published pdf
... miR-133a and miR-133b inhibited cell Esophageal Cancer – Cell and Molecular Biology, Biomarkers, Nutrition and Treatment proliferation and invasion in ESCC MiR-200a has been linked to the etiology and ... specifically enriched in trimethyl-H3-K9 and H4-K20, and the effect is silencing of transcription; while mono- and dimethyl-H3-K9 and H4-K20 are found in euchromatin, and play activating transcriptional ... TNF-α and several pathways such as Wnt signaling pathway, TGF-β signaling pathway, NF-κB signaling pathway and so on 8 Esophageal Cancer – Cell and Molecular Biology, Biomarkers, Nutrition and...
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Báo cáo khoa học: Functional fine-mapping and molecular modeling of a conserved loop epitope of the measles virus hemagglutinin protein pdf
... C381 and C494 participate in unspecified intramolecular Ó FEBS 2003 Fine-mapping of an epitope of measles virus (Eur J Biochem 270) 1523 Fig Molecular modeling of HNE peptide Top view (A) and lateral ... (D), or only Cys386 and Cys394 (KGETBFQQACKGKIQALCENPEWA) (E) or the shortened HNE peptide (KGQQACKGKIQALCEN) (F) as well as sequential epitopes with intermolecular and intramolecular cystine bonds ... association constant and the enthalpy of reaction between lysozyme and the specific antibodies D1.3 and D44.1 J Mol Recognit 9, 6–12 Ochoa, W.F., Kalko, S.G., Mateu, M.G., Gomes, P., Andreu, D., Domingo,...
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Genetics and Molecular Biology
... Expression and Recombination Paradoxes Silencing HML and HMR Isolation of α2 Protein α2 and MCM1 Sterile Mutants, Membrane Receptors and G Factors DNA Cleavage at the MAT Locus DNA Strand Inheritance and ... higher and higher concentrations of ethidium bromide, more and more will intercalate into the DNA and unwind the DNA more and more Consequently the DNA will become less and less compact and sediment ... Acid and Chromosome Structure The Regular Backbone Of DNA Grooves in DNA and Helical Forms of DNA Dissociation and Reassociation of Base-paired Strands Reading Sequence Without Dissociating Strands...
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Báo cáo khoa học: Enzymatic characterization and molecular modeling of an evolutionarily interesting fungal b-N-acetylhexosaminidase pot
... modified (light blue) and standard (magenta) substrates after ns of MD (C) Overlay of positions of N-propionyl modified (light blue) and standard (magenta) substrates after ns of MD (D) Molecular surface ... tubes, and the rest of the protein is represented by molecular surface (magenta) Hydrogen bonds created by loops and amino acids are coloured in yellow The positions of the C-alpha atom of Asp470 and ... Table Inhibition constants (Ki) and the type of inhibition of the PoHex from Penicillium oxalicum strains CCF 1959 and 3438 for GlcNAc and GalNAc reaction products, and comparison with the Hex from...
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Computational Chemistry and Molecular Modeling ppt
... only one σ and a center of inversion and one Cn axis one Cn axis and n σv one Cn axis and one σh plane one Cn axis, nC2 axes and nσv planes one Cn axis nC2 axes and nσv planes 28 Symmetry and Point ... Computational Chemistry and Molecular Modeling K I Ramachandran · G Deepa · K Namboori Computational Chemistry and Molecular Modeling Principles and Applications 123 Dr K I Ramachandran Dr G Deepa ... Computer-Aided Molecular Design Journal of Mathematical Chemistry Journal of Molecular Graphics and Modelling Journal of Molecular Modeling Journal of Molecular Structure Journal of Molecular Structure:...
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Báo cáo khoa học: Binding of berberine to human telomeric quadruplex – spectroscopic, calorimetric and molecular modeling studies pot
... anthraquinones [17], perylenes [18] and carbocyanines [19], have been developed and shown to promote and ⁄ or stabilize quadruplex structures In past few years, Neidle and co-workers have reported a ... affinity and specificity Characterization of the forces that govern quadruplex–ligand interactions traditionally relies on detailed knowledge of the thermodynamic and structural properties of the ligand, ... capacity calculation Molecular modeling studies Computational methods are widely used to investigate biomolecules and complexes, and have been shown to be valuable for a deeper understanding of the...
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