Auswahl der wissenschaftlichen Literatur zum Thema „Bi-Molecular complexes“

Geben Sie eine Quelle nach APA, MLA, Chicago, Harvard und anderen Zitierweisen an

Wählen Sie eine Art der Quelle aus:

Machen Sie sich mit den Listen der aktuellen Artikel, Bücher, Dissertationen, Berichten und anderer wissenschaftlichen Quellen zum Thema "Bi-Molecular complexes" bekannt.

Neben jedem Werk im Literaturverzeichnis ist die Option "Zur Bibliographie hinzufügen" verfügbar. Nutzen Sie sie, wird Ihre bibliographische Angabe des gewählten Werkes nach der nötigen Zitierweise (APA, MLA, Harvard, Chicago, Vancouver usw.) automatisch gestaltet.

Sie können auch den vollen Text der wissenschaftlichen Publikation im PDF-Format herunterladen und eine Online-Annotation der Arbeit lesen, wenn die relevanten Parameter in den Metadaten verfügbar sind.

Zeitschriftenartikel zum Thema "Bi-Molecular complexes":

1

Jäger, Martin, Paul Schuler, Hartmut B. Stegmann und Antal Rockenbauer. „Molecular Recognition Analyzed by Observing Intramolecular Interconversion with EPR Spectroscopy“. Zeitschrift für Naturforschung B 53, Nr. 12 (01.12.1998): 1511–19. http://dx.doi.org/10.1515/znb-1998-1215.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
Abstract Molecular recognition between Rebek’s cleft R and 4-(2-benzimidazolyl)-aminomethyl-2,6-di-rm-butyl-phenol (Bi) is investigated by means of EPR spectroscopy. Their specific inter-molecular interactions are distinguished from non-specific interactions represented by mere protonation on addition of benzoic acid. Both interactions are related to intramolecular in­ terconversions at the C∞-atom of Bi*, where a two-jump mechanism is found for free and protonated Bi* and a two-site exchange for the complexed ligand. While NMR spectroscopy indicates the existence of 1:1 and 1:2 receptor-substrate complexes, the faster time scale of EPR spectroscopy allows to identify one 1 : 2 as well as three 1 : 1 associates and to elucidate their formation conditions. Based upon the corresponding hf parameters, binding modes and sites are proposed for the key-in-the-lock system.
2

Vicente, Ramon, Ànnia Tubau, Saskia Speed, Franz A. Mautner, Florian Bierbaumer, Roland C. Fischer und Salah S. Massoud. „Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands“. New Journal of Chemistry 45, Nr. 32 (2021): 14713–23. http://dx.doi.org/10.1039/d1nj02583j.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
A new series of eight-coordinated Nd(iii) complexes derived from 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dionate and bi-pyridyl ligands revealed multifunctional molecular materials as photoluminescent single-molecule magnets (SMMs).
3

Priyadarshini, N., M. Sampath, Shekhar Kumar und U. Kamachi Mudali. „Particle Size Variation and Prediction of Molecular Weight of Bi(III) Hydrolyzed Polymer Using Light Scattering Technique“. ISRN Inorganic Chemistry 2013 (12.02.2013): 1–5. http://dx.doi.org/10.1155/2013/194120.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
The present paper gives an overview of the hydrolysis reactions up to colloid formation of Bi(III) in aqueous nitric acid medium using light-scattering measurements. The hydrolysis products of Bi were polynuclear complexes such as dimers, pentamers, and the most important is the hexameric species. In the present investigation Bi3+ polymers were prepared by diluting different concentrations of Bi(NO3)3·5H2O solutions to pH 1 ± 0.1 by adding 0.1 M NaOH solution as it starts to precipitates at pH 1.4. The degree of polymerization was found to be 5-6 units. Particle size measurements were performed, and it has been found that particle size increases at high concentration of Bi due to aggregation. Refractive index measurements were also performed. The molecular weight of hydrolyzed polymeric species of Bi was determined by using Debye plot, and it was estimated as 1236 Da. The second virial coefficient was found to be 6.24 × 10−3 mLg−1 Da. The present investigation confirms that the predominant complex in the solution has 5-6 Bi atoms.
4

Marfo-owusu, Emmanuel, Keiichi Noguchi und Kenji Okuyama. „The Molecular Complexes of Monoalkylammonium Bromide Salts with (R)-(+)-1,1′-Bi-2-Naphthol and Rac-1,1′-Bi-2-Naphthol“. Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 338, Nr. 1 (01.01.2000): 47–59. http://dx.doi.org/10.1080/10587250008024419.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
5

Younes, Ayman A. O. „Synthesis, biological evaluation and molecular docking studies of novel mixed-ligand Schiff base/8-hydroxyquinoline metal complexes“. Materials Express 13, Nr. 12 (01.12.2023): 2110–27. http://dx.doi.org/10.1166/mex.2023.2564.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
Five manufactured mixed ligands chelate of Schiff base (HL) in the presence of 8-hydroxyquinoline (HQ) with Chromium(III), Cobalt(II), Silver(I) tin(II), and mercury(II) was produced and described. The molecular structure of complexes was examined using physicochemical analysis, thermogravimetric analysis, and spectroscopic methods. Measurements of morphological properties confirm the nano-crystalline particles of the fabricated chelates. FT-IR analysis revealed that HL and HQ chelated with metal ions as NO bi-dentate ligands. The synthesized complexes have distorted octahedral (Cr(III) and Co(II)) and tetrahedral (Ag(I), Sn(II), and Hg(II) forms, according to magnetic and electronic spectrum data. Thermogravimetric (TG) analysis indicates that the formation complexes were stable. The antimicrobial and antiviral effectiveness of ligands and their metal complexes has also been investigated. The results indicated that the newly prepared complexes were greater in activity in contrast to their free ligands, and Studies on molecular docking have been performed out in order to determine the optimal engagement location as well as its inhibitory activity.
6

M. Abd El-Lateef, Hany, Ali M. Ali, Mai M. Khalaf und Aly Abdou. „New iron(III), cobalt(II), nickel(II), copper(II), zinc(II) mixed-ligand complexes: Synthesis, structural, DFT, molecular docking and antimicrobial analysis“. Bulletin of the Chemical Society of Ethiopia 38, Nr. 1 (29.11.2023): 147–66. http://dx.doi.org/10.4314/bcse.v38i1.12.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
The present framework has as its goal the design and synthesis and characterization of new mononuclear 1:1:1 (M:L:Q) mixed-ligand complexes, including FeLQ, CoLQ, NiLQ, CuLQ, and ZnLQ. The "L," is the 4-[(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazono]methylphenyl 4-methylbenzenesulfonate, while the "Q," is the 8-hydroxy quinoline. According to the findings, L and Q ligands each play the role of a neutral bi-dentate NN and a monobasic bi-dentate ON ligand, respectively. The findings demonstrated an octahedral shape. The density functional theory (DFT) technique was employed, and the quantum chemical descriptors were assessed, to optimize the molecular structure of the compounds. An in vitro investigation was carried out to investigate the antibacterial and antifungal activities of the compounds. According to the findings, the activity of metal complexes as potential candidates for use as antibiotics and antifungals is much greater than that of their free ligands. The in-silico inhibition of the 1fj4 protein was investigated using molecular docking. ZnLQ complex was the one that inhibited the 1fj4 protein with the greatest degree of success. The fact that this is the case lends credence to the notion that these compounds have the potential to function as launchpads for the development of new classes of antibiotics. KEY WORDS: Metal complexes, Schiff-base, Antimicrobial, DFT, Molecular docking Bull. Chem. Soc. Ethiop. 2024, 38(1), 147-166. DOI: https://dx.doi.org/10.4314/bcse.v38i1.12
7

EMANDI, Anca. „Synthesis and Characterization of New Oxovanadium(IV) Coordination Compounds with Pyrazol-5-one Azo Derivatives“. SOUTHERN BRAZILIAN JOURNAL OF CHEMISTRY 6, Nr. 7 (20.12.1998): 91–99. http://dx.doi.org/10.48141/sbjchem.v6.n7.1998.90_1998_2.pdf.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
A new series of oxovanadium(IV) chelates containing bi-and tridentate pyrazol-5-one azo derivatives ligands of the type (I) [VO(L)2] and (2) [VO(L)(H2O)] have been prepared and characterized by elementary analysis, IR, electronic spectra, conductance measurements, and molecular weights. The ligands coordinate through (O-N) donor system as monobasic and bidentate (HL) for the first type and through (0-N-O) donor system as dibasic and tridentate (H2L) for the second type of complexes. The molecular weights, the presence of the (V=O) stretching band around 950 cm -1, and the visible spectra suggest a monomeric penta-coordinated structure for these complexes.
8

Heshmatpour, Constantin, Jürgen Hauer und František Šanda. „Correlated spectral fluctuations quantified by line shape analysis of fifth-order two-dimensional electronic spectra“. Journal of Chemical Physics 156, Nr. 8 (28.02.2022): 084114. http://dx.doi.org/10.1063/5.0081053.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
Correlated spectral fluctuations were suggested to coordinate excitation transport inside natural light harvesting complexes. We demonstrate the capacities of 2D line shapes from fifth-order coherent electronic signals (R5-2D) to report on such fluctuations in molecular aggregates and present a stochastic approach to fluctuations in correlated site and bi-exciton binding energies in the optical dynamics of Frenkel excitons. The model is applied to R5-2D line shapes of a homodimer, and we show that the peak tilt dynamics are a measure for site energy disorder, inter-site correlation, and the strength of bi-exciton binding energy fluctuations.
9

Lu, Xiao-Qin, Qiang Chen, Xin-Xin Tian, Yue-Wen Mu, Hai-Gang Lu und Si-Dian Li. „Predicting lanthanide boride inverse sandwich tubular molecular rotors with the smallest core–shell structure“. Nanoscale 11, Nr. 44 (2019): 21311–16. http://dx.doi.org/10.1039/c9nr07284e.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
Extensive first-principles theory calculations predict the possibility of bi-decker inverse sandwich complexes La2[B18], La2[B18]2−, and La2[B2@B18], with the B2-centered La2[B2@B18] as a tubular molecular rotor possessing the smallest core–shell structure.
10

Notter, Silke, Carsten Donsbach und Claus Feldmann. „On iodido bismuthates, bismuth complexes and polyiodides with bismuth in the system BiI3/18-crown-6/I2“. Zeitschrift für Naturforschung B 76, Nr. 10-12 (18.10.2021): 765–74. http://dx.doi.org/10.1515/znb-2021-0127.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
Abstract The iodido bismuthates [Bi(18-crown-6)I2][BiI4] (1) and [Bi(18-crown-6)I2][Bi3I10] (2), the neutral complex [Bi(C6H14O4)I3](18-crown-6) (3) as well as the polyiodides [Bi(18-crown-6)I2][I5](18-crown-6) (4), [Bi(18-crown-6)I2]2[I14] (5) and [Bi(18-crown-6)I2]2[I19] (6) were prepared by reaction of BiI3, 18-crown-6, and I2 at T = 60–120 °C. The compounds 1–5 were prepared in [n-Bu3MeN][N(Tf)2] as an ionic liquid ([n-Bu3MeN]: tributylmethylammonium, [N(Tf)2]: bis(trifluoromethylsulfonyl)imide), whereas 6 was obtained only by direct reaction of the starting materials. The title compounds exhibit two different constitutions of the [Bi(18-crown-6)I2]+ cation as well as a non-charged, molecular [Bi(C6H14O4)I3] unit with a triethylene glycol ligand generated in situ by cleavage of the crown ether. Infinite chain-like [ BiI 2 / 1 I 4 / 2 ] − ∞ 1 ${}_{\infty }{}^{1}\left[{{\text{BiI}}_{2/1}{\text{I}}_{4/2}\right]}^{-}$ and [ Bi 6 I 18 / 1 I 4 / 2 ∞ 1 ] − ${{}_{\infty }{}^{1}\left[{\text{Bi}}_{6}{\text{I}}_{18/1}{\text{I}}_{4/2}\right]}^{-}$ anions occur in 1 and 2, whereas various polyiodide anions (e.g. [I3]−, [I5]−, [I7]−, [I9]−) with partly complex interaction are observed in 4, 5, and 6. The title compounds were characterized by single-crystal X-ray diffraction analysis and infrared spectroscopy. In the case of 1 and 2, the optical band gap was determined to be E g = 1.91 and 1.62 eV, respectively. Especially, the ionic-liquid-based synthesis affords the different metastable compounds with variable composition and structure in a narrow temperature range.

Dissertationen zum Thema "Bi-Molecular complexes":

1

Martins, Evandro Paulo Soares. „Síntese, modelagem molecular e atividade antimicrobiana de complexos de Sb(III) e Bi(III) com ligantes derivados da 1,3,5-triazina e mesoiônicos do núcleo 1,3-tiazólio-5-tiolato“. Universidade Federal da Paraíba, 2016. http://tede.biblioteca.ufpb.br:8080/handle/tede/8185.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
Submitted by Maike Costa (maiksebas@gmail.com) on 2016-05-10T11:35:54Z No. of bitstreams: 1 arquivo total.pdf: 3109388 bytes, checksum: 647810f9fb25d144a271d5f256240096 (MD5)
Made available in DSpace on 2016-05-10T11:35:54Z (GMT). No. of bitstreams: 1 arquivo total.pdf: 3109388 bytes, checksum: 647810f9fb25d144a271d5f256240096 (MD5) Previous issue date: 2016-06-09
Conselho Nacional de Pesquisa e Desenvolvimento Científico e Tecnológico - CNPq
In this work the properties of the Sb(III) and Bi(III) complexes with mesoionic 1,3-thiazolium-5-thiolates and derivatives of the 1,3,5-triazine have been investigate from theoretical and experimental perspectives. This thesis was divided in three parts. In the first part, the performance of the semiempirical methods was assessed regarding to the prediction of the geometries of 54 Sb(III) complexes and 75 of Bi(III) with ligands, macrocyclic, heterocyclic, amine carboxylate tiocompounds and organometallic. The results indicated that AM1 and PM3 correctly predict the geometries of Sb complexes. PM6 is more accurate to predict the geometries of both Sb and Bi tiocompounds. However, PM6 presented an inability to reproduce the geometries of complexes with Sb−N bonds. In general, PM6 is more accurate to Bi complexes. In the second part, a theoretical and experimental study of Sb(III) and Bi(III) complexes with mesoionic 1,3-thiazólio-5-thiolates ligands has been performed. Five new complexes of formulas [Sb4Cl12(M1)3], [SbCl3(M2)]·H2O, [Bi4Cl12(M1)3], [Bi4Br12(M1)3] and [Bi4Br12(M2)3] have been synthesized and characterized by elemental analysis, IR, 13C NRM and conductivity measurements. Both complexes and mesoionic ligands were studied for their antimicrobial activity against species of bacteria Estafilococos aureus and fungi C. albicans, C. tropicalis, C. krusei. Sb complexes and their corresponding mesoionic ligands exhibited active against all the bacteria and fungi with minimum inhibitory concentration (MIC) in the range 256-1024 μg/mL. On the other hand, the Bi complexes not exhibit such activities. The theoretical study of the ground state geometries, electronic structures, thermodynamic stabilities and chemical bonds of the complexes [MX3(L)] (X = F, Cl, Br, L= M1, M2, M3) in gas phase have been carried out at DFT and MP2 theoretical level. Potential energy curves (PECs) were calculated using B3LYP, M06-2X and MP2 level of theory with 6-31G basis set for all element, except Sb and Bi which we applied the 6-31G(d) basis set coupled to relativistic pseudopotentials. The PECs calculated with MP2 and M06-2X indicated that the minima structures are stable by multiple intramolecular interactions. The analysis considering NBO charges indicated which the metal coordination led to the loss of mesoionic character, producing large charge delocalization in the ring. The analysis considering the frontier molecular orbitals calculated at M06-2X/cc-pVTZ pointed out a large contribution from atomic orbitals of the exocyclic sulfur and metal atoms to HOMO. However, the atomic orbitals of the metal did not contribute to LUMO, suggesting a process of charge transfer metal to ligand. QTAIM study of the complexes have pointed out that the metal-sulfur bonds are closed shell, with small degree of electron sharing. Besides, the QTAIM study has indicated the intramolecular interactions as hydrogen bonds, halogen bonds and metal-π interactions. In the final part of this thesis, we have been synthesized the complexes [SbCl3(TMT)], [Sb3Cl9(TMT)2], [Bi3Cl9(TMT)2], [Sb2Cl6(PIPT)]·4H2O, [Bi2Cl6(PIPT)]·2H2O and characterized them by elemental analysis, IR, 13C NRM and thermal analysis. Biological activities of both triazines and their complexes with Sb and Bi against bacteria E. aureus and fungi C. albicans, C. tropicalis, C. krusei have been obtained. Sb complexes exhibited activities against all bacteria and fungi with CIM ranging in the interval of 512-1024 μg/mL. Both triazine ligands and their bismuth compounds did not exhibit such activities.
Nesse trabalho as propriedades dos complexos Sb(III) e Bi(III) com ligantes mesoiônicos do núcleo 1,3-tiazólio-5-tiolato e derivados da 1,3,5-triazina foram investigadas a partir de perspectivas teóricas e experimentais. O estudo foi dividido em três partes. Na primeira etapa foi avaliado a qualidade dos métodos semiempíricos na predição das geometrias de 54 complexos de Sb(III) e 75 de Bi(III) com ligantes macrocíclicos, heterocíclicos, aminocarboxilatos, tiocompostos e organometálicos. Os resultados indicam que o AM1 e PM3 predizem corretamente as geometrias dos complexos de Sb. O PM6 é mais exato para os tiocompostos de Sb e Bi. No entanto, falha na predição das estruturas dos complexos com ligações Sb−N. De modo geral, o PM6 é mais exato para os complexos de Bi. Na segunda parte, foi realizado um estudo teórico-experimental de complexos de Sb(III) e Bi(III) com os ligantes mesoiônicos da classe 1,3-tiazólio-5-tiolato. Para isso, foram sintetizados cinco novos complexos de fórmula [Sb4Cl12(M1)3], [SbCl3(M2)]·H2O, [Bi4Cl12(M1)3], [Bi4Br12(M1)3], [Bi4Br12(M2)3] e caracterizados por análise elementar, espectroscopia de absorção no infravermelho, RMN 13C e medidas de condutância. A atividade antimicrobiana in vitro dos complexos e ligantes mesoiônicos foi avaliada contra as espécies de bactérias Estafilococos aureus e fungos Candida albicans, C. tropicalis, C. krusei. Os complexos de Sb e mesoiônicos foram ativos contra todas as cepas estudadas, com CIM da faixa de 256-1024 μg/mL. Por outro lado, os compostos de Bi não foram ativos. O estudo teórico das geometrias do estado fundamental, estruturas eletrônicas, estabilidades termodinâmicas e ligações químicas dos complexos [MX3(L)] (X = F, Cl, Br, L= M1, M2, M3) em fase gasosa foi realizado. As curvas de energia potencial (CEP) dos complexos foram calculadas a nível MP2, DFT/B3LYP e M06-2X com o conjunto de base 6-31G para os elementos mais leves e 6-31G(d) para o Sb e Bi com pseudopotenciais relativísticos. As CEP calculadas a nível MP2 e M06-2X indicam que as estruturas de menor energia dos complexos são estabilizadas por múltiplas interações intramoleculares. O estudo estrutural e a análise das cargas NBO nos complexos indica que a coordenação resulta na quebra do caráter mesoiônico, permitindo uma maior deslocalização de cargas no anel. A análise dos orbitais moleculares de fronteira dos complexos calculados a nível M06-2X/cc-PVTZ, mostra uma grande contribuição dos orbitais atômicos do átomo de enxofre exocíclico e dos metais, para o HOMO. No entanto, os metais não contribuem para o LUMO, indicando a possibilidade de transições por transferência de carga metal-ligante. O estudo QTAIM dos complexos, define as ligações metal-enxofre como de camada fechada, com um pequeno grau de compartilhamento de elétrons. Além disto, o estudo QTAIM também caracterizou as interações intramoleculares como: ligações de hidrogênio, ligações de halogênio e interações do tipo metal-π. Na etapa final deste trabalho, foram sintetizados os complexos [SbCl3(TMT)], [Sb3Cl9(TMT)2], [Bi3Cl9(TMT)2], [Sb2Cl6(PIPT)]·4H2O, [Bi2Cl6(PIPT)]·2H2O e caracterizados por análises elementar, espectroscopia de infravermelho, RMN 13C e análise termogravimétrica. A atividade biológica dos ligantes triazínicos e complexos foi avaliada contra as bactérias do gênero Estafilococos e fungos C. albicans, C. tropicalis e C. krusei. Os complexos de Sb foram ativos contra todas as espécies e bactérias e fungos com CIM na faixa de 512-1024 μg/mL. Os ligantes triazínicos e complexos de Bi não apresentaram atividade antimicrobiana.
2

Gyawali, Prakash. „Terahertz spectroscopy of molecules and molecular complexes of atmospheric interest exhibiting large amplitude motions“. Electronic Thesis or Diss., Université de Lille (2022-....), 2023. http://www.theses.fr/2023ULILR071.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
L'atmosphère est composée d'un large éventail de molécules et d'espèces. Parmi celles-ci, la vapeur d'eau et ses complexes jouent un rôle important dans le phénomène du réchauffement de la planète et du changement climatique. L'analyse spectroscopique de ces complexes est essentielle pour comprendre divers processus atmosphériques. Cependant, les connaissances sur les complexes d'eau à faible liaison dans le domaine des ondes térahertz sont encore limitées en raison de leurs caractéristiques spectrales complexes et des défis expérimentaux. La complexité spectrale résulte souvent des mouvements de grande amplitude limités par de faibles barrières de potentiel.Nous présentons le développement d'un spectromètre d'émission à jet pulsé destiné à l'étude des complexes moléculaires dans la gamme des térahertz. Les développements expérimentaux ont été accompagnés d'une analyse comparative des modèles de mouvements de grande amplitude sur les molécules d'intérêt atmosphérique. Nous avons commencé avec des halogénures d'acétyle présentant un mouvement de torsion périodique du groupe méthyle. Nous avons obtenu des modèles précis des spectres de rotation du chlorure d'acétyle et du bromure d'acétyle avec une précision expérimentale. Nous avons ensuite étudié les spectres de rotation de la méthylamine dans son premier état excité de torsion. La méthylamine est caractérisée par deux mouvements de grande amplitude : la torsion et l'inversion. Le spectre rotationnel de la méthylamine a été analysé à l'aide du modèle dit "hybride" qui, pour la première fois, a permis d'attribuer et de modéliser avec précision les états de torsion excités les plus bas. Enfin, les spectres rotationnels à haute résolution du complexe à faible liaison ammoniac-eau ont été mesurés à l'aide du nouveau spectromètre. Pour l'analyse du complexe l'ammoniac-eau qui présente deux mouvements de grande amplitude similaires à ceux de la méthylamine, nous avons également appliqué l'approche "hybride" démontrant ainsi son avantage dans l'application aux états excités et aux cas à faible barrière.Mots clés: spectroscopie d'ondes mm/sub-mm, mouvements de grande amplitude, haute résolution, rotation interne, complexe faiblement lié, impulsion de jet, impulsion chirpée
The atmosphere comprises a diverse array of molecules and species. Among these, water vapor and its complexes have a significant role in the phenomenon of global warming and climate change. Spectroscopic analysis of such complexes is essential for understanding various atmospheric processes. However, there is still a limited knowledge on weakly bounded water complexes in the terahertz wave range due to their complex spectral features and experimental challenges. Spectral complexity often results from the large amplitude motions limited by low potential barriers.We present the development of pulsed-jet emission spectrometer intended for studies of molecular complexes in the terahertz range. Experimental developments were accompanied by benchmarking large amplitude motions models on the molecules of atmospheric interest. We started with acetyl halides exhibiting a periodic torsional motion of methyl group. We obtained accurate models of the rotational spectra of acetyl chloride and acetyl bromide within experimental accuracy. Subsequently, the rotational spectra of methylamine in its first excited torsional state were studied. Methylamine is characterized by two large amplitude motions: torsion and inversion. The rotational spectrum of methylamine was analyzed using the so-called "hybrid" model that for the first time allowed accurate assignment and modeling of the lowest excited torsional states. Finally, the high-resolution rotational spectra of ammonia-water weakly bounded complex were measured using the newly built spectrometer. For the analysis of ammonia-water which exhibits two large amplitude motions similar to methylamine, we also applied the "hybrid" approach demonstrating thus its advantage in the application to excited states and low barrier cases.Keywords: mm/sub-mm wave spectroscopy, large-amplitude motions, high-resolution, internal rotation, weakly bounded complex, pulse jet, chirped pulse

Buchteile zum Thema "Bi-Molecular complexes":

1

Rehman, Muneeb Ur, und Hafiz Zain Ul Abideen. „Molecular Basis of Hepatitis C“. In Fundamentals of Cellular and Molecular Biology, 201–11. BENTHAM SCIENCE PUBLISHERS, 2024. http://dx.doi.org/10.2174/9789815238037124010018.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
Hepatitis C virus (HCV) is a significant cause of chronic liver disease worldwide. The molecular basis of HCV infection and replication has been extensively studied, leading to the identification of vital viral proteins and their interactions with host factors. The HCV genome encodes a single polyprotein cleaved by host and viral proteases into individual proteins, including the core, envelope glycoproteins (E1 and E2), p7, NS2, NS3, NS4A, NS4B, NS5A, and NS5B. These viral proteins play critical roles in virus assembly, entry, replication, and evasion of host immune responses. The HCV envelope glycoproteins E1 and E2 are responsible for virus attachment and entry into host cells through interactions with various host receptors, including CD81, scavenger receptor class B type I (SR-BI), and tight junction proteins. The viral protein NS3 has multiple functions, including protease and helicase activities, which are critical for viral RNA replication. NS5A is an essential component of the viral replication complex and regulates viral RNA replication, virion assembly, and modulation of host immune responses. NS5B is the RNA-dependent RNA polymerase responsible for viral RNA synthesis. The molecular mechanisms underlying HCVinduced pathogenesis and the development of chronic infection remain poorly understood. However, recent studies have shed light on the interactions between HCV and host factors, including the innate and adaptive immune responses and the roles of viral proteins in modulating these responses. These insights have led to new antiviral therapies, including direct-acting antivirals (DAAs) that target viral proteins in RNA replication.

Konferenzberichte zum Thema "Bi-Molecular complexes":

1

Ravi, Kesavan, Kazuhiro Ogawa, Tiana Deplancke, Olivier Lame und Jean-Yves Cavaillé. „High Strain Rate Sensitivity of Ultra-High Molecular Weight Polyethylene and Its Consequence on Cold-Spray Deposition Behavior“. In ITSC2018, herausgegeben von F. Azarmi, K. Balani, H. Li, T. Eden, K. Shinoda, T. Hussain, F. L. Toma, Y. C. Lau und J. Veilleux. ASM International, 2018. http://dx.doi.org/10.31399/asm.cp.itsc2018p0371.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
Abstract The cold spray deposition mechanism of Ultra-High Molecular Weight Polyethylene (UHMWPE) requires a detailed understanding of strain rate sensitivity of UHMWPE. The yield and flow in UHMWPE are complex and sophisticated compared to metals due to their dependency on time, temperature, strain, strain-rate and the history of the processing. In this research work, powder-sintered UHMWPE of 10.5 Mg/mol was subjected to various strain-rates ranging from 10-2 s-1 to 103 s-1 via low compression strain-rate testing and Split Hopkinson Pressure Bar testing (SHPB). The experimental true stress-strain curves in compression of a sintered UHMWPE at pre-yield, yield point, and post-yield were analyzed. The pre-yield and yield point region, 10.5 Mg/mol UHMWPE exhibited an increase in the tangent modulus and the yield stress with an increase in strain rate. Further, the post-yield phenomenon in UHMWPE shows no apparent post-yield softening and shows an increase in the strain hardening with an increase in the strain-rate. The curves at increasingly higher strain rates showed an increasingly pronounced bi-linearity to its flow behavior with the rate of hardening increasing above 10~15% strain. Under the domain tested, the strain rate dependence for UHMWPE can be depicted by a logarithmic fit.

Berichte der Organisationen zum Thema "Bi-Molecular complexes":

1

Dubcovsky, Jorge, Tzion Fahima und Ann Blechl. Positional cloning of a gene responsible for high grain protein content in tetraploid wheat. United States Department of Agriculture, September 2003. http://dx.doi.org/10.32747/2003.7695875.bard.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
High Grain Protein Content (GPC) is a desirable trait in breadmaking and pasta wheat varieties because of its positive effects on quality and nutritional value. However, selection for GPC is limited by our poor understanding of the genes involved in the accumulation of protein in the grain. The long-term goal of this project is to provide a better understanding of the genes controlling GPC in wheat. The specific objectives of this project were: a) to develop a high-density genetic map of the GPC gene in tetraploid wheat, b) to construct a T. turgidum Bacterial Artificial Chromosome (BAC) library, c) to construct a physical map of the GPC gene and identify a candidate for the GPC gene. A gene with a large effect on GPC was detected in Triticum turgidum var. dicoccoides and was previously mapped in the short arm of chromosome 6B. To define better the position of the Gpc-B1 locus we developed homozygous recombinant lines with recombination events within the QTL region. Except for the 30-cM region of the QTL these RSLs were isogenic for the rest of the genome minimizing the genetic variability. To minimize the environmental variability the RSLs were characterized using 10 replications in field experiments organized in a Randomized Complete Block Design, which were repeated three times. Using this strategy, we were able to map this QTL as a single Mendelian locus (Gpc-B1) on a 2.6-cM region flanked by RFLP markers Xcdo365 and Xucw67. All three experiments showed that the lines carrying the DIC allele had an average absolute increase in GPC of 14 g/kg. Using the RFLP flanking markers, we established the microcolinearity between a 2.l-cM region including the Gpc-B1 gene in wheat chromosome 6BS and a 350-kb region on rice chromosome 2. Rice genes from this region were used to screen the Triticeae EST collection, and these ESTs were used to saturate the Gpc-B1 region with molecular markers. With these new markers we were able to map the Gpc-B1 locus within a 0.3-cM region flanked by PCR markers Xucw83 and Xucw71. These flanking markers defined a 36-kb colinear region with rice, including one gene that is a potential candidate for the Gpc-B1 gene. To develop a physical map of the Gpc-B1 region in wheat we first constructed a BAC library of tetraploid wheat, from RSL#65 including the high Gpc-B1 allele. We generated half- million clones with an average size of l3l-kb (5.1 X genome equivalents for each of the two genomes). This coverage provides a 99.4% probability of recovering any gene from durum wheat. We used the Gpc-BI flanking markers to screen this BAC library and then completed the physical map by chromosome walking. The physical map included two overlapping BACs covering a region of approximately 250-kb, including two flanking markers and the Gpc-B1 gene. Efforts are underway to sequence these two BACs to determine if additional wheat genes are present in this region. Weare also developing new RSLs to further dissect this region. We developed PCR markers for flanking loci Xucw79andXucw71 to facilitate the introgression of this gene in commercial varieties by marker assisted selection (httQ://maswheat.ucdavis.edu/ orotocols/HGPC/index.hlm). Using these markers we introgressed the Gpc-B1 gene in numerous pasta and common wheat breeding lines.
2

Lers, Amnon, und Pamela J. Green. LX Senescence-Induced Ribonuclease in Tomato: Function and Regulation. United States Department of Agriculture, September 2003. http://dx.doi.org/10.32747/2003.7586455.bard.

Der volle Inhalt der Quelle
APA, Harvard, Vancouver, ISO und andere Zitierweisen
Annotation:
Natural leaf senescence, which occurs even when growth conditions are near optimal, has a negative influence on yield. Postharvest induced senescence contributes to the losses of quality in flowers, foliage, and vegetables. Strategies designed to control the senescence process in crop plants could therefore have great applied significance. However, the successful design of such strategies requires a better insight into the senescence machinery and control in higher plants. A main feature of senescence is the hydrolysis of macromolecules by hydrolases of various types such as ribonucleases (RNases) and proteases. Previously we had identified and characterized the tomato LX RNase gene demonstrating its transcript to be highly and specifically induced during senescence. This reported study was focused on LX but also had broadened our research to other senescence-associated nucleic acids degrading enzymes to learn about their function and the regulation of their encoding genes. Beside tomato we used parsley and Arabidopsis for the study of: the bi-functional nuclease which has a role in senescence. The study of different senescence- associated nucleases in few plant systems will allow a more general view on function and regulation of these enzymes in senescence. The specific original proposed objectives included: 1. Study the consequences of alterations in LX RNase level on tomato leaf senescence and general development; 2. Analyze stimuli which may participate in senescence-specific activation of the LX gene; 3. Clone the senescence-associated BFNI nuclease gene homologue from tomato. 4. Further characterize the sequences required for senescence-specific gene expression. Homozygous transgenic plants in which LX gene was either inhibited or over-expressed were generated. In both of these LX mutated plants no major phenotypic consequences were observed, which may suggests that LX is not essential for plant growth under optimal growth conditions. Lack of any abnormalities in the LX over-expressing lines suggests that special system exist to allow function of the RNase only when needed. Detailed analyses of growth under stress and consequences to RNA metabolism are underway. We have analyzed LX expression on the protein level demonstrating that it is involved also in petal senescing. Our results suggest that LX is responding to complex regulation involving developmental, organ dependent factors and responds differently to hormonal or environmental stimuli in the different plant organs. The cloned 1.4 kb promoter was cloned and its analysis revealed that probably not all required elements for senescence induction are included. Biochemical analysis of senescence-associated be-functional nucleases in the different plants, tomato, parsley and Arabidopsis, suggests they belong to a sub-class within the type I plant nucleases. The parsley PcNUC1/2 nuclease protein was purified from senescing leaves its and activity was studied in vitro revealing endo-, double strand, nucleolytic activity and exo-nucleolytic activity. Its encoding gene was cloned and found to be induced on the mRNA level. The promoter of the related Arabidopsis BFNI nuclease was shown in both tomato and Arabidopsis to be able and direct senescence-specific expression suggesting that, at least part, the gene is regulated on the transcriptional level and that the mechanism for this senescence-specific regulation is conserved between different plants. Few plants in which the BFNI gene is mutated were identified which are subjected now to detailed analysis. Our results suggest that the senescence-related nucleic acid degrading enzymes share similarities in both function and regulation between different plants and possibly have important functions in processes un-related to senescence. Still, the function of these enzymes, at least in some cases is not essential to plant development under optimal growth conditions. We are now at the stage which permits in depth investigation of the specific functions and mode of molecular regulation of senescence-associated nucleases with the aid of the research tools developed. The isolated senescence-specific promoter, shown to be active in heterologous plant system, could be utilized in agricultural-related biotechnological applications for retardation of senescence.

Zur Bibliographie