Relevant bibliographies by topics / Molecular analysis

Academic literature on the topic 'Molecular analysis'

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Published: 4 June 2021
Last updated: 11 September 2023

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Journal articles on the topic "Molecular analysis"

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Falcón-Guerrero, Britto Ebert. "Omicron view a molecular analysis." Revista Médica de Trujillo 17, no. 1 (February 28, 2022): 7–8. http://dx.doi.org/10.17268/rmt.2022.v17i1.4260.

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J. Muhaidi, Mohammed, Mohammed A. Hamad, and Noor N. Al-hayani. "Molecular and Phylogenetic Analysis of Sheep Pox Virus in Iraq." Journal of Pure and Applied Microbiology 12, no. 4 (December 30, 2018): 1809–14. http://dx.doi.org/10.22207/jpam.12.4.14.

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Kostrub, C. F., F. Al-Khodairy, H. Ghazizadeh, A. M. Carr, and T. Enoch. "Molecular analysis of." MGG - Molecular & General Genetics 254, no. 4 (1997): 389. http://dx.doi.org/10.1007/s004380050431.

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Chee, Hee Youn, and Yoon Kyoung Kim. "Molecular Analysis ofExophialaSpecies Using Molecular Markers." Mycobiology 30, no. 1 (2002): 1. http://dx.doi.org/10.4489/myco.2002.30.1.001.

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Erfaninejad, Maryam, and Majid Zarrin. "Molecular analysis of aflR gene in Aspergillus flavus isolated from Iran." Ukraïnsʹkij žurnal medicini, bìologìï ta sportu 6, no. 1 (February 26, 2021): 173–76. http://dx.doi.org/10.26693/jmbs06.01.173.

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Aspergillus flavus produces the most potent carcinogens, aflatoxins, when it contaminates agricultural crops. aflR gene regulates aflatoxin-related genes and it has been identified in four species of A. flavus, A. parasiticus, A. sojae and A. oryzae. Contamination of agricultural commodities with aflatoxin is a grave risk to humans and animals’ health. Aflatoxin related genes are clustered in a 75 kb region of genome in A. flavus. Investigations obviously demonstrated that aflatoxin biosynthesis needs the aflR gene product and an entirely functional aflatoxin biosynthetic cluster. The purpose of the current study was to investigate the presence of the aflR gene in A. flavus. Material and methods. Forty-two A. flavus isolates including 10 references, 25 clinical and 7 environmental isolates were analyzed in this study. The isolates were identified by morphology. To characterize morphologically, the conidial arrangement, philiades, vesicles and conidiophores were observed microscopically. Using PCR, the aflR gene was amplified with primers aflR1 and aflR2. PCR were carried out to amplify an 800 bp DNA fragment of aflR gene. Some amplicons were sequenced. The sequences were searched in NCBI database and analyzed with MEGA5 software. Results and discussion. Out of 42 A. flavus isolates, an 800 bp band was amplified for 35 isolates. No band was observed for seven isolates including 4 clinical and 3 environmental isolates. Data analysis demonstrated that 100% of reference strains and 84% of clinical strains produced the expected fragment while it was only 57.14% for environmental isolates. The sequences had 100% identity with A. flavus aflR gene which was deposited in the NCBI database. Conclusion. In conclusion, molecular analysis of the aflR gene showed that this gene was not amplified from some strains of A.flavus; therefore, perhaps it lacks the gene or it is greatly abnormal. Additional researches are needed to verify whether the strains with lack of aflR gene have a loss of function in production of aflatoxin or other mechanisms of regulation exist
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Di Vaio, C., C. Villano, and N. Marallo. "Molecular analysis of native cultivars of sweet cherry in Southern Italy." Horticultural Science 42, No. 3 (June 2, 2016): 114–18. http://dx.doi.org/10.17221/352/2014-hortsci.

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Park, Jae Kweon, Jio Song, Eung Take Lee, Ji Hyun Lee, and Hyun Lee. "Matrix Sensitivity and Interpretation for Precise Molecular Weight Analysis of Chitosan Hydrolysates." Journal of Chitin and Chitosan 27, no. 2 (June 30, 2022): 94–103. http://dx.doi.org/10.17642/jcc.27.2.5.

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OM, Amin. "Molecular Analysis of Pomphorhynchus kashmirensis based on 18S rDNA and ITS-rDNA." International Journal of Zoology and Animal Biology 5, no. 2 (2022): 1–8. http://dx.doi.org/10.23880/izab-16000372.

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Pomphorhynchus kashmirensis Kaw, 1941 was redescribed to correct inadequacies in the original description. We provide a molecular characterization to qualify its now completed morphological description and to compare with related taxa. Sequences of the 18S rDNA and ITS-rDNA datasets of specimens of P. kashmirensis were generated for assessment of gene diversity and the phylogenetic analyses. Comparative sequence analysis indicated interspecific variation between P. kashmirensis with different species of Pomphorhynchus was 0.2-1.4% and 2.4-36.4% based on 18S rDNA and ITS-rDNA datasets, respectively. The ITS-rDNA region is more variable than 18S rDNA within members of the family Pomphorhynchidae and it appears appropriate for assessment of their biodiversity. Our phylogenetic analyses showed that taxonomic position of the species P. kashmirensis is closely related with P. tereticollis and P. laevis. Also, the systematic status of Tenuiproboscis and Longicollum is uncertain within the family Pomphorhynchidae. Therefore, further molecular investigations will be needed for better understanding of the phylogenetic relationships in this family.
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Gunamalai, Lavanya, and C. Jaynthy C.Jaynthy. "In Silico Molecular Interaction Analysis Of Type I Collagen Telopeptides With Cyclodextrins." International Journal of Scientific Research 3, no. 8 (June 1, 2012): 25–27. http://dx.doi.org/10.15373/22778179/august2014/8.

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Nandi, S., S. Chidri, and M. Kumar. "Molecular characterization and phylogenetic analysis of a canine parvovirus isolate in India." Veterinární Medicína 54, No. 10 (November 13, 2009): 483–90. http://dx.doi.org/10.17221/147/2009-vetmed.

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Canine parvovirus 2 (CPV-2) is the causative agent of acute hemorrhagic enteritis and myocarditis in dogs. In this study the nucleotide sequence of the VP1/VP2 gene of a CPV isolate from India was analyzed and the phylogenetic relationship with other CPV isolates was established. Out of 36 samples analyzed, 16 were found positive for CPV-2 by polymerase chain reaction (PCR). Among the 16 positive samples, five were inoculated in MDCK cells for isolation out of which one adapted successfully to the cell culture system. Phylogenetic analysis based on the nucleotide sequence of the VP-1/VP-2 gene revealed that the Indian isolate closely resembled a CPV-2b Italian strain, showing 98.4% nucleotide sequence homology indicating very little genetic divergence since it was first identified in 1978.
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Dissertations / Theses on the topic "Molecular analysis"

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Myint, Mo Aung, and n/a. "Investigation of molecular interactions with molecularly imprinted polymers." University of Otago. Department of Chemistry, 2009. http://adt.otago.ac.nz./public/adt-NZDU20090617.131516.

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Currently, very little information is available for an in-depth understanding of the molecular binding interactions with molecularly imprinted polymers (MIPs). To address this issue MIPs that have high binding affinities for their template compounds were made so that the nature of these interactions could be elucidated using spectroscopic techniques. 12 functional MIPs were prepared using a series of azobenzene and anthracenyl derivatives as the templates. Affinities of these MIPs for the corresponding templates and analogues were determined by performing batch and competitive binding tests. It was found that extensively conjugated compounds that contain at least two OH groups, an electron-withdrawing substituent and have limited conformational freedom were effective templates. The most efficient MIP, M34, was prepared with 4-[(4-nitrophenyl)azo]-1,2-benzenediol (12). M34 exhibited high affinities for azobenzene derivatives of catechol, and bound those that did not contain non electron-withdrawing substituents more specifically. M34 did not lose affinity for 12 in the presence of analogues, and vice versa, in competitive binding tests. These observations suggested a distribution of different binding sites on M34. M34 bound substrates rapidly, which was attributed to its highly porous polymer matrix giving ready access to binding sites. Formation of the porous matrix was facilitated by the use of DMF as the porogen in the preparation of M34. DMF is not a conventional choice of porogen because use of such highly polar H-bonding solvents is thought to disrupt complexation between template and polymer precursors, which is required for the formation of binding sites. Significant changes in the wavenumbers and the intensities of absorption bands assigned to the catechol substructure of 12 were observed in the FT-Raman spectra of 12 bound to M34. These findings suggested that the catechol substructure was responsible for interactions of 12 with M34 that are critical to rebinding and imprinting. In-situ analyses of dithranol (8) being removed from and bound to its MIP, M23, were performed using ATR-IR spectroscopy. Only one band, assigned to the aromatic substructure of 8, was not obstructed by solvent bands in the spectra of unwashed M23 and washed M23 that was treated with the rebinding solution. The wavenumbers of the corresponding bands in the two spectra were significantly different. This observation suggested that there were differences in the vibrational characteristics of 8 bound to M23 under the two conditions. Evidence was found for H-bonding between OH groups of 8 and C=O group of methacrylic acid using transmission FT-IR spectroscopy. However, no evidence was found that showed significant interactions between 12 and 2-vinylpyridine. Methacrylic acid and 2-vinylpyridine were used as the functional monomers in the preparations of M23 and M34. The FT-IR spectra of mixtures of 12 and 4-vinylpyridine showed three new bands assigned to H-bonded OH stretches. These observations indicated that 4-vinylpyridine H-bonds with 12, and would be a more effective functional monomer than 2-vinylpyridine in the preparation of the MIPs for 12. Titration of 12 with 2-vinylpyridine was analysed by �H NMR spectroscopy. Only small changes to the signals of the corresponding compounds were observed. This lack of change was attributed to the use of d₇DMF, which would compete against 2-vinylpyridine for H-bonding interactions. The findings made using ATR-IR spectroscopy and FT-Raman were novel because previously reported data on bound templates obtained using the corresponding techniques did not show changes in the vibrational characteristics of templates as they bind to MIPs. This investigation has shown that rebinding and spectroscopic studies can provide information about the nature of the binding interactions in MIPs.
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Jensen, C. H. "Molecular dynamics and complexity analysis of molecular systems." Thesis, University of Cambridge, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.605591.

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In this thesis, Complexity Analysis, which is defined as the use of Markov models and Computational Mechanics, is applied to Molecular Dynamics simulations of peptides. To achieve this, the trajectories from the Molecular Dynamics simulations are clustered into conformational states and by investigating the time series of these states, statistical models are constructed. A basic property of a Markov model is that the probability distribution of the subsequent states depends only on the current state and not the history. This has previously been used to develop a method for testing the model which is based on calculating and comparing eigenvalues for Markov models constructed at different time steps. Here, the method is applied to a simulation of the four residue peptide VPAL and it is found that the Markov model is accurate at a minimum time step of 100ps. The determination of the time step using this test is, however, subjective, so I have developed a method which is based on Computational Mechanics to determine the minimum time step at which the dynamics are Markovian. An important part of the application of a Markov model is the clustering of the Molecular Dynamics simulation into conformational states. The effect of varying the clustering of the simulation is investigated by calculating the mean first passage times between conformational states as the cluster boundaries are varied. It is found that the mean first passage times are sensitive to specific clustering, and to reduce the model sensitivity to variations in clustering, it is especially important to exclude sparsely populated states from the model. Finally, it is demonstrated that the folding time of a slow folding protein can be very sensitive to changes in the Markov model transition matrix. This implies that folding times calculated using Molecular Dynamics cannot meaningfully be compared to folding times obtained from experiments.
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Baker, Joseph Lee. "Steered Molecular Dynamics Simulations of Biological Molecules." Diss., The University of Arizona, 2011. http://hdl.handle.net/10150/205416.

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Molecular dynamics (MD) simulation, which employs an empirical potential energy function to describe the interactions between the atoms in a system, is used to investigate atomistic motions of proteins. However, the timescale of many biological processes exceeds the reach of standard MD due to computational limitations. To circumvent these limitations, steered molecular dynamics (SMD), which applies external forces to the simulated system, can be used.Dynamical properties of the gonococcal type IV pilus (GC-T4P) from the bacteria Neisseria gonorrhoeae are first considered. T4 pili are long, filamentous proteins constructed from a subunit (pilin) found to emanate from the surface of pathogenic bacteria. They can withstand large forces (~100 pN), and are implicated in infection. SMD simulations are performed to study the response of the filament to an applied force. Our simulations reveal that stability of the pilus likely results from hydrophobic contacts between pilin domains buried within the filament core. Along the filament surface, gaps are formed between pilin globular head domains. These gaps reveal an amino acid sequence that was also observed to become exposed in the experimentally stretched filament. We propose two other regions initially hidden in the native filament that might become exposed upon stretching.The multidrug resistance transporter EmrD, found in the inner membrane of Escherichia coli is also the target of our studies. EmrD removes harmful drugs from the bacterial cell. We use MD to explore equilibrium dynamics of the protein, and MD/SMD to study drug interactions and transport along its central cavity. Motions supporting a previously proposed lateral diffusion pathway for substrate from the cytoplasmic membrane leaflet into the central cavity were observed. Additionally, interactions of a few specific residues with CCCP have been identified.Finally, we describe network analysis as an approach for analyzing conformational sampling by MD simulations. We demonstrate for several model systems that networks can be used to visualize both the dominant conformational substates of a trajectory and the connectivity between them. Specifically, we compare the results of various clustering algorithms to the network layouts and show how information from both methods can be combined.
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Präkelt, Uta M. "Molecular analysis of actinidin." Thesis, University of Leicester, 1987. http://hdl.handle.net/2381/35337.

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Actinidin, the 23.6 kDa cysteine proteinase of Chinese gooseberry (Actinidia chinensis), is present at high concentration in fruits. A fruit-specific cDNA library was established and screened by differential hybridisation and using a synthetic oligonucleotide. Two of ten actinidin clones identified were characterised by sequence analysis. The two very similar cDNAs code for proteins with approximately 90% sequence homology to the published amino acid sequence of actinidin, as well as an additional 25 amino acids following the mature carboxyl terminus. The larger clone in addition has coding potential for 57 residues of an amino-terminal extension with considerable homology to amino-terminal sequences of other cysteine proteinases. From size determinations of both mRNA (1.4 kb) and immunoprecipitated in vitro translation product (39 kDa) it was estimated that actinidin is synthesised as a precursor approximately 15 kDa larger than the mature protein. Features of the prosegment primary sequence are considered with regard to a possible mechanism of inactivation of the proteinase, by analogy with other proteolytic zymogens. The presence of three potential glycosylation sites, one within the carboxy-terminal and two in the amino-terminal extension are consistent with subcellular location of the enzyme within membrane-bound organelles. Results from a Southern blot show that actinidin is encoded by a multigene family of up to ten members. Actinidin gene expression, both at the level of mRNA and protein, is largely restricted to the fruit of A. chinensis, where the level of actinidin mRNA accumulates early during development.
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Nawrotzki, Ralph. "Molecular analysis of dystrobrevin." Thesis, University of Oxford, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.389074.

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Sirivatanauksorn, Vorapan. "Molecular analysis of pancreatic cancer." Thesis, Imperial College London, 1999. http://hdl.handle.net/10044/1/7489.

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Wong, Zilla Yin Har. "Molecular analysis of human minisatellites." Thesis, University of Leicester, 1990. http://hdl.handle.net/2381/34372.

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Tandem-repetitive hypervariable minisatellites detected in a DNA fingerprint provide highly informative genetic markers. To identify and localize specific loci represented in a DNA fingerprint, it is necessary to clone individual minisatellites. This thesis is concerned with the characterization of single locus minisatellite probes cloned from DNA fingerprints. Seven single locus human minisatellite probes have been cloned by screening ? libraries with DNA fingerprint probes 33.6 and 33.15. Each locus consists of a minisatellite, with repeat units ranging in length from 9 to 47 base pairs depending on the locus. These autosomal loci are amongst the most variable loci characterized to date. The heterozygosity values of D1S7, D1S8, D5S43, D7S21, D7S22 and D12S11 range from 85% to >99%. Clustering of minisatellites was initially detected at the D12S11 locus. This observation led to the subsequent discovery of minisatellites showing close physical linkage as well as a tendency for minisatellites to be localized in proterminal chromosomal regions. An association of a minisatellite with a dispersed repetitive element was identified when studying the organization of cloned D7S22. This phenomenon was later found to be common amongst minisatellites. Pedigree analysis revealed a high level of instability of the locus detected by D1S7. This manifestation of detectable mutant alleles demonstrated the feasibility of direct estimation of mutation rates at minisatellite loci. The hypervariability of loci detected by minisatellites and their sensitivity in blot hybridizations make minisatellites a powerful tool in genetic analysis. These probes have already proved instrumental in many genetic and clinical studies. The high degree of individual specificity and the relatively simple banding pattern generated make these probes invaluable in forensic medicine. D1S7 and D7S21 were used in the first example of DNA-based identification in a rape and murder enquiry. One minisatellite probe was found to detect two loci, DNF21S1 and DNF21S2, on chromosomes 6 and 16 respectively. The 39 base pair repeat unit of this minisatellite is itself repetitive. The heterozygosity values of DNF21S1 and DNF21S2 are 61% and 16% respectively. Genomic mapping and sequence analyses revealed close similarity between these loci. Human population and pedigree studies showed that some individuals carry two alleles at DNF21S2, some carry one allele, some carry a duplicated allele while some are devoid of this locus. A model of duplication of a large proterminal segment of chromosome 6 DNA containing a minisatellite and transposition into an interstitial region of chromosome 16 in some human individuals is suggested. This is, to my knowledge, the first report of a human DNA polymorphism arising via transposition of DNA. The duplication unit on chromosome 16 is large (>15 kb) and has inserted into a member of a target site family present in 5-10 copies per genome. This sequence family represents a novel class of human repetitive DNA.
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Ljunggren, Erland L. "Molecular analysis of Sarcoptes scabiei /." Uppsala : Dept. of Biomedical Sciences and Veterinary Public Health, Swedish University of Agricultural Sciences, 2005. http://epsilon.slu.se/200547.pdf.

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Parsons, Jeremy David. "Computer analysis of molecular sequences." Thesis, University of Cambridge, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.282922.

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Sutherland, Robert Matthew. "Molecular analysis of avian diet." Thesis, University of Oxford, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.365749.

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Books on the topic "Molecular analysis"

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Boultwood, Jacqueline, and Carrie Fidler. Molecular Analysis of Cancer. New Jersey: Humana Press, 2001. http://dx.doi.org/10.1385/1592591353.

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National Cancer Institute (U.S.), ed. Technology for molecular analysis. [Bethesda, Md.]: U.S. Dept. of Health and Human Services, Public Health Service, National Institutes of Health, National Cancer Institute, 2001.

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Jacqueline, Boultwood, and Fidler Carrie, eds. Molecular analysis of cancer. Totowa, N.J: Humana Press, 2002.

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Tibor, Cserháti, ed. Molecular basis of chromatographic separation. Boca Raton, FL: CRC Press, 1997.

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Molecular characterization and analysis of polymers. Amsterdam: Elsevier, 2008.

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Griffiths, Anthony J. F. An introduction to genetic analysis. 6th ed. New York: W.H. Freeman, 1996.

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Rapley, Ralph, and Stuart Harbron, eds. Molecular Analysis and Genome Discovery. Chichester, UK: John Wiley & Sons, Ltd, 2004. http://dx.doi.org/10.1002/0470020202.

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Rapley, Ralph, and Stuart Harbron, eds. Molecular Analysis and Genome Discovery. Chichester, UK: John Wiley & Sons, Ltd, 2011. http://dx.doi.org/10.1002/9781119977438.

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Ortutay, Csaba, and Zsuzsanna Ortutay. Molecular Data Analysis Using R. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2017. http://dx.doi.org/10.1002/9781119165057.

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Santos, Claudia Chimisso Dos. Molecular analysis of Fanconi anaemia. Ottawa: National Library of Canada, 1993.

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Book chapters on the topic "Molecular analysis"

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Crompton, T. R. "Molecular Weight." In Practical Polymer Analysis, 304–21. Boston, MA: Springer US, 1993. http://dx.doi.org/10.1007/978-1-4615-2874-6_8.

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Nejo, Hitoshi. "Molecular Wires." In Nanostructures - Fabrication and Analysis, 251–85. Berlin, Heidelberg: Springer Berlin Heidelberg, 2007. http://dx.doi.org/10.1007/978-3-540-37578-4_7.

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Lewis, D. F. V. "Molecular modelling." In Food Chemical Risk Analysis, 163–94. Boston, MA: Springer US, 1997. http://dx.doi.org/10.1007/978-1-4613-1111-9_7.

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Zoppis, Silvia, Alejandro Blanco-Verea, and Maria Brion. "The Molecular Autopsy: Complementary Study to Molecular Autopsy." In Forensic DNA Analysis, 337–56. Includes bibliographical references and index.: Apple Academic Press, 2020. http://dx.doi.org/10.1201/9781003043027-15.

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Geigert, John. "Molecular Structural Analysis." In The Challenge of CMC Regulatory Compliance for Biopharmaceuticals and Other Biologics, 221–37. New York, NY: Springer New York, 2013. http://dx.doi.org/10.1007/978-1-4614-6916-2_9.

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Medina-Franco, José L., and Gerald M. Maggiora. "MOLECULAR SIMILARITY ANALYSIS." In Chemoinformatics for Drug Discovery, 343–99. Hoboken, NJ: John Wiley & Sons, Inc, 2013. http://dx.doi.org/10.1002/9781118742785.ch15.

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Polanski, Jarostaw. "Molecular Shape Analysis." In Handbook of Chemoinformatics, 302–19. Weinheim, Germany: Wiley-VCH Verlag GmbH, 2008. http://dx.doi.org/10.1002/9783527618279.ch10.

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Camarinha-Silva, Amélia, and W. Florian Fricke. "Molecular Microbiome Analysis." In The Gut Microbiome in Health and Disease, 49–65. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-90545-7_4.

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Akash, Muhammad Sajid Hamid, and Kanwal Rehman. "Molecular Emission Spectroscopy." In Essentials of Pharmaceutical Analysis, 111–19. Singapore: Springer Singapore, 2019. http://dx.doi.org/10.1007/978-981-15-1547-7_8.

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Bandyopadhyay, P. K., N. R. Das, and Amit Chattopadhyay. "Molecular Biology and Molecular Genetics." In Biochemical, Immunological and Epidemiological Analysis of Parasitic Diseases, 263–71. Singapore: Springer Singapore, 2022. http://dx.doi.org/10.1007/978-981-16-4384-2_7.

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Conference papers on the topic "Molecular analysis"

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Hojer, S., H. Ahlberg, S. Lundqvist, J. Davidsson, and L. Holmlid. "IR Tunable Diode Laser Absorption Spectroscopy in an no Seeded Molecular Beam." In Laser Applications to Chemical Analysis. Washington, D.C.: Optica Publishing Group, 1987. http://dx.doi.org/10.1364/laca.1987.tha4.

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In many experiments involving molecular beams for fundamental studies of e.g. chemical reactions in crossed beams [1,2], so called seeded beams are used. In such a beam a few percent of the desired molecule is mixed in an excess of light driver gas. This accelerates the heavier seed molecules, and also cools the translational, rotational, and vibrational degrees of freedom of the molecules. The translational acceleration and simultaneous cooling in the beam can be studied by molecular beam techniques coupled to mass spectroscopy, like rapid mechanical chopping and molecular time-of-flight measurements. The rotational and vibrational temperatures are much harder to determined in an ordinary molecular apparatus, and some optical spectroscopic method is usually needed [3,4,5].
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Lykke, Keith R., Peter Wurz, Deborah H. Parker, Jerry E. Hunt, Michael J. Pellin, and Dieter M. Gruen. "Molecular Surface Analysis Utilizing Laser Desorption/Laser Ionization." In Laser Applications to Chemical Analysis. Washington, D.C.: Optica Publishing Group, 1992. http://dx.doi.org/10.1364/laca.1992.thb4.

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The ability to analyze surface elemental composition has existed for some time. The various methods include Auger Electron Spectroscopy (AES), Secondary Ion Mass Spectrometry (SIMS), and many more.1 However, molecular surface analysis is only now achieving the same sensitivity and selectivity. Molecular surface analysis often utilizes various optical probes: IR Reflection Absorption Spectroscopy, Sum-Frequency (or Second Harmonic) Generation Spectroscopy on Surfaces, etc. These techniques are generally lacking species-specific information. Another approach is to remove the molecule from the surface and probe it in the gas phase, e.g., with state- of-the-art mass spectrometry. Since mass spectrometry offers high resolution and high sensitivity, the remaining problems are removal of the molecule from the surface and ionization without alteration of the molecule (e.g., fragmentation). These pose serious complications for large molecules, in particular. Furthermore, if the molecule of interest is only a minor constituent of a sample, mass resolution and sensitivity are not sufficient for species identification, and a pre- selection in the ionization is often necessary. Our solution is to employ lasers for both desorption from the sample and ionization (post-ionization) of the gas-phase species. The ability to choose the wavelength and intensity of the desorption laser and the post-ionization laser allows for proper tailoring to the needs of the investigation. This will be demonstrated with two examples. First, a vulcanizate (rubber) will be analyzed with a time-of-flight mass spectrometer for the organic additives present in minor concentrations in the near-surface region. Second, a new class of carbon molecules (fullerenes) will be examined with a Fourier transform mass spectrometer.
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Hill, S. C., M. D. Barnes, W. B. Whitten, and J. M. Ramsey. "Modeling Fluorescence Collection from Single Molecules in Liquid Microspheres." In Laser Applications to Chemical and Environmental Analysis. Washington, D.C.: Optica Publishing Group, 1996. http://dx.doi.org/10.1364/lacea.1996.lwd.7.

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Optimization of molecular detection efficiencies is of central importance in analytical applications involving single molecule detection.1 In addition to limitations imposed on the fraction of molecules which can be detected by the average signal-to-noise ratio, experimental factors such as excitation inhomogeneity and molecular diffusion conspire to further limit "molecular detectability." Recent single molecule detection experiments in microdroplets suggest that such experimental limitations can be significantly reduced primarily because the molecule cannot diffuse away from the excitation volume. However, unlike fluorescence detection from bulk streams where the fluorescence intensity is isotropic in space, the large refractive index change at the surface of microdroplets implies that the fluorescence intensity collected by a lens will be strongly dependent on the position of the molecule within the droplet. In addition, the same refractive index discontinuity at the droplet surface produces a complicated excitation intensity distribution within the droplet as a result of interference between refracted and totally-internally-reflected rays. Thus, issues such as whether molecules near the surface of the sphere can "hide" from the detector as a result of total internal reflection of emission near the droplet surface, or poor excitation efficiency due to the molecule being located in a "shadow" region of the droplet will have a potential effect on molecular detection efficiencies. These questions are nontrivial to address in a quantitative way. Here we discuss development of numerical tools for modeling the fluorescence collected from a single molecule within a microdroplet as a function of position, orientation, and detection geometry based on the semiclassical electrodynamics formalism developed by Chew2 for light scattering in dielectric microspheres. In addition we also examine effects of excitation inhomogeneity within the sphere, molecular diffusion, and transition rate modification in order to obtain a realistic model of molecular detection efficiencies in microdroplets.
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4

Asher, Sanford A. "Biological Applications of UV Raman Spectroscopy: Static and Dynamical Studies." In Laser Applications to Chemical Analysis. Washington, D.C.: Optica Publishing Group, 1990. http://dx.doi.org/10.1364/laca.1990.ma6.

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The recent development of UV Raman spectroscopy has led to careful studies of the enhancement mechanism of vibrational modes for both small molecules such as amides, small aromatic molecules such as substituted benzene derivatives and also larger molecules such as polycyclic aromatic hydrocarbons, DNA and proteins The objective of the small molecule studies is to characterize the resonance Raman enhancement mechanisms to examine molecular excited state structure. These studies also clarify the resonance Raman enhancement mechanisms which clarify the dependence of Raman enhancement upon molecular environment. We will present an overview of this work as it relates to ongoing UV resonance Raman studies of the heme protein structure and function and the investigation of the details of the hemoglobin cooperativity mechanism.
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5

Harris, T. D., J. J. Macklin, J. K. Trautman, and L. E. Brus. "Imaging and Time-Resolved Spectroscopy of Single Molecules." In Laser Applications to Chemical and Environmental Analysis. Washington, D.C.: Optica Publishing Group, 1996. http://dx.doi.org/10.1364/lacea.1996.lwd.5.

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Recent progress in the fluorescence detection of individual molecules [1-8] suggests that a single dye molecule can be a useful tool to probe chemical identity and activity. Measurement of fluorescence lifetime [5,6] and spectrum [6] can be augmented by knowledge of molecular orientation using polarized light [3], and triplet [2] and photoisomer excitation, as well as diffusion processes, via fluorescence-intensity correlation. Applications of fluorescent probes include the study of the dynamic conformation of membrane-bound proteins, transport of and signaling by messenger molecules, and the optical detection of the sequence of DNA. While molecules can be spatially located using near-field microscopy [5-8], near-field probes can perturb the molecule under study. We show here that molecular properties can be determined easily and in a non-perturbative manner using far-field illumination, and we obtain unperturbed spectral and lifetime data that cannot be extracted from an ensemble measurement.
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6

Rob, Mohammad A., and Frank C. Franceschetti. "Atmospheric Multi-Component Pollution Analysis Using CO2 Laser." In Laser Applications to Chemical Analysis. Washington, D.C.: Optica Publishing Group, 1992. http://dx.doi.org/10.1364/laca.1992.wc7.

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The laser spectroscopic techniques for detecting minor gaseous pollutants of the atmosphere have made rapid advances in the last few years. The most important optical process for detection of air pollutants is based on the extinction of radiation by molecular absorption. Each molecule absorbs light at a particular wavelength or a range of wavelengths, a characteristic of the molecule. Thus a measurement of absorption of light at the molecule's characteristic wavelength produces a mean of determining a particular molecule at the presence of other molecules. Problems can, and often arise from overlapping spectrums due to other molecules of the atmosphere. In this case, it is necessary to identify the molecules which cause these overlappings. In some cases, one might be interested in finding multiple pollutants of the atmosphere.
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Castro, Alonso, and Brooks Shera. "Electrophoresis of Single Fluorescent Molecules." In Laser Applications to Chemical Analysis. Washington, D.C.: Optica Publishing Group, 1994. http://dx.doi.org/10.1364/laca.1994.thd.3.

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The fast, efficient detection and separation of minute quantities of biologically important molecules plays a central role in a variety of fields, such as molecular biology, biotechnology, immunology, medical diagnostics, and forensic analysis. It has proven difficult to identify and separate biomolecules at such low concentrations by existing means. Thus, it is of importance to develop methods that are able to probe such low concentrations with adequate sensitivity, resolution and ease. Here, we describe a new method for detecting and identifying individual fluorescent molecules in solution. The technique involves the measurement of electrophoretic velocities of individual molecules in a mixture, and identification by comparison with the electrophoretic velocity known to be characteristic of a particular molecular species. The application of the method to the detection and size identification of DNA restriction fragments in solution at the single molecule level has been demonstrated. In a similar experiment, the electrophoretic velocities of single molecules of the protein phycoerythrin was determined. Although we have focused on the detection and identification of biologically important molecules, the technique has the potential to find applications in organic and inorganic chemical analysis.
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8

Sauer, M., K. H. Drexhage, K. T. Han, S. Nord, and C. Zander. "Following the Dynamics of Single Oligonucleotide Molecules in Water." In Laser Applications to Chemical and Environmental Analysis. Washington, D.C.: Optica Publishing Group, 1998. http://dx.doi.org/10.1364/lacea.1998.lmc.14.

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The dynamic fluorescence characteristics of individual dye molecules in specific local environment are of particular interest for many biological applications.1,2 Furthermore, dye molecules that are influenced by the environment can act as molecular probes, i. e. they exhibit information about neighbouring groups and changes in the microenvironment. They also allow the direct observation of individual dynamic events such as conformational changes of a biological macromolecule if they are monitored on the single-molecule level. In addition, measurements on individual molecules are well suited for the study of complex systems in which it is not known whether all molecules exhibit the same characteristics or each molecule contributes with its individual characteristics to the observed behaviour.
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9

Moerner, W. E., W. P. Ambrose, and Th Basché. "Optical Spectroscopy Of Single Impurity Molecules In Solids." In Laser Applications to Chemical Analysis. Washington, D.C.: Optica Publishing Group, 1992. http://dx.doi.org/10.1364/laca.1992.wa1.

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Recent advances in high-efficiency fluorescence excitation spectroscopy of pentacene in p-terphenyl crystals [1-3] have improved the signal to noise ratio for the detection of single molecular defects, thus confirming earlier single molecule detection in solids using absorption techniques[4]. Using 1-10 μm thick samples, tightly focused laser beams, and high collection efficiency, background emission noise is significantly reduced below the fluorescence emission rate of single molecular impurities at low (liquid helium) temperatures. To observe single molecules, the laser is tuned out into the wings of the inhomogeneously broadened 0-0 electronic transition until the number of defects per homogeneous linewidth is less than 1. This new regime of single molecule spectroscopy, in addition to representing optical detection at the ultimate 1/NA = 1.6 × 10−24 mole level, has also opened the door to the observation of a variety of new physical effects. With the improved detection sensitivity, we have observed two classes of pentacene defects present in both the red and blue wings of the inhomogeneous line in p-terphenyl crystals: class I defects are of stable, time-independent impurities with lifetime-limited Lorentzian homogeneous linewidths below 4 K, and class II defects, surprisingly, have time varying resonance frequencies. In recent work on perylene single molecular defects in the polymer poly(ethylene), controllable persistent spectral hole-burning of a single molecule has been observed in addition to spectral diffusion.
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Evans, Christine E., and Paul W. Bohn. "The Influence of External Stress on the Molecular Order of Monolayer Assemblies." In Laser Applications to Chemical Analysis. Washington, D.C.: Optica Publishing Group, 1992. http://dx.doi.org/10.1364/laca.1992.thb2.

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Monolayer assemblies of molecules offer chemists an intriguing system for study. In addition to the variety of possible applications ranging from chemical sensing to corrosion inhibition, the structured simplicity of these two-dimensional arrays makes possible more accurate predictions of molecular behavior. Thus, these well-ordered systems present a unique opportunity to correlate theoretical predictions of molecular- scale structure to experimental measurements. These correlations are of particular importance in understanding the response of molecular arrays to external perturbations. Although a number of physical and chemical sources of external stress are possible, initial studies presented here will focus on the influence of temperature on the molecular-scale order.
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Reports on the topic "Molecular analysis"

1

Davis, M. J. Hierarchical analysis of molecular spectra. Office of Scientific and Technical Information (OSTI), March 1996. http://dx.doi.org/10.2172/207374.

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2

Rinderspacher, Berend C., Jaydeep P. Bardhan, and Ahmed E. Ismail. Wavelet Analysis for Molecular Dynamics. Fort Belvoir, VA: Defense Technical Information Center, June 2015. http://dx.doi.org/10.21236/ada619816.

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3

Hanson, M. R. (Molecular analysis of cytoplasmic male sterility). Office of Scientific and Technical Information (OSTI), January 1991. http://dx.doi.org/10.2172/7206406.

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4

D'Mello, Santosh. Molecular Analysis of Neurotoxin-Induced Apoptosis. Fort Belvoir, VA: Defense Technical Information Center, September 2001. http://dx.doi.org/10.21236/ada398132.

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D'Mello, Santosh R. Molecular Analysis of Neurotoxin Induced Apoptosis. Fort Belvoir, VA: Defense Technical Information Center, September 2002. http://dx.doi.org/10.21236/ada407576.

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D'Mello, Santosh R. Molecular Analysis of Neurotoxin-Induced Apoptosis. Fort Belvoir, VA: Defense Technical Information Center, March 2006. http://dx.doi.org/10.21236/ada467776.

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7

D'Mello, Santosh R. Molecular Analysis of Neurotoxin - Induced Apoptosis. Fort Belvoir, VA: Defense Technical Information Center, September 2000. http://dx.doi.org/10.21236/ada384860.

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8

Hanson, M. Molecular analysis of cytoplasmic male sterility. Office of Scientific and Technical Information (OSTI), January 1990. http://dx.doi.org/10.2172/7118549.

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9

Jimenez, L. Molecular analysis of deep subsurface bacteria. Office of Scientific and Technical Information (OSTI), November 1989. http://dx.doi.org/10.2172/5291581.

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10

Appelhans, A. D., J. C. Ingram, G. S. Groenewold, D. A. Dahl, and J. E. Delmore. Molecular beam surface analysis. 1993 Summary report. Office of Scientific and Technical Information (OSTI), September 1993. http://dx.doi.org/10.2172/10146499.

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