Letteratura scientifica selezionata sul tema "Bi-Molecular complexes"
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Articoli di riviste sul tema "Bi-Molecular complexes":
Jäger, Martin, Paul Schuler, Hartmut B. Stegmann e Antal Rockenbauer. "Molecular Recognition Analyzed by Observing Intramolecular Interconversion with EPR Spectroscopy". Zeitschrift für Naturforschung B 53, n. 12 (1 dicembre 1998): 1511–19. http://dx.doi.org/10.1515/znb-1998-1215.
Vicente, Ramon, Ànnia Tubau, Saskia Speed, Franz A. Mautner, Florian Bierbaumer, Roland C. Fischer e 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, n. 32 (2021): 14713–23. http://dx.doi.org/10.1039/d1nj02583j.
Priyadarshini, N., M. Sampath, Shekhar Kumar e 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 febbraio 2013): 1–5. http://dx.doi.org/10.1155/2013/194120.
Marfo-owusu, Emmanuel, Keiichi Noguchi e 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, n. 1 (1 gennaio 2000): 47–59. http://dx.doi.org/10.1080/10587250008024419.
Younes, Ayman A. O. "Synthesis, biological evaluation and molecular docking studies of novel mixed-ligand Schiff base/8-hydroxyquinoline metal complexes". Materials Express 13, n. 12 (1 dicembre 2023): 2110–27. http://dx.doi.org/10.1166/mex.2023.2564.
M. Abd El-Lateef, Hany, Ali M. Ali, Mai M. Khalaf e 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, n. 1 (29 novembre 2023): 147–66. http://dx.doi.org/10.4314/bcse.v38i1.12.
EMANDI, Anca. "Synthesis and Characterization of New Oxovanadium(IV) Coordination Compounds with Pyrazol-5-one Azo Derivatives". SOUTHERN BRAZILIAN JOURNAL OF CHEMISTRY 6, n. 7 (20 dicembre 1998): 91–99. http://dx.doi.org/10.48141/sbjchem.v6.n7.1998.90_1998_2.pdf.
Heshmatpour, Constantin, Jürgen Hauer e František Šanda. "Correlated spectral fluctuations quantified by line shape analysis of fifth-order two-dimensional electronic spectra". Journal of Chemical Physics 156, n. 8 (28 febbraio 2022): 084114. http://dx.doi.org/10.1063/5.0081053.
Lu, Xiao-Qin, Qiang Chen, Xin-Xin Tian, Yue-Wen Mu, Hai-Gang Lu e Si-Dian Li. "Predicting lanthanide boride inverse sandwich tubular molecular rotors with the smallest core–shell structure". Nanoscale 11, n. 44 (2019): 21311–16. http://dx.doi.org/10.1039/c9nr07284e.
Notter, Silke, Carsten Donsbach e Claus Feldmann. "On iodido bismuthates, bismuth complexes and polyiodides with bismuth in the system BiI3/18-crown-6/I2". Zeitschrift für Naturforschung B 76, n. 10-12 (18 ottobre 2021): 765–74. http://dx.doi.org/10.1515/znb-2021-0127.
Tesi sul tema "Bi-Molecular complexes":
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.
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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.
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.
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
Capitoli di libri sul tema "Bi-Molecular complexes":
Rehman, Muneeb Ur, e 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.
Atti di convegni sul tema "Bi-Molecular complexes":
Ravi, Kesavan, Kazuhiro Ogawa, Tiana Deplancke, Olivier Lame e Jean-Yves Cavaillé. "High Strain Rate Sensitivity of Ultra-High Molecular Weight Polyethylene and Its Consequence on Cold-Spray Deposition Behavior". In ITSC2018, a cura di F. Azarmi, K. Balani, H. Li, T. Eden, K. Shinoda, T. Hussain, F. L. Toma, Y. C. Lau e J. Veilleux. ASM International, 2018. http://dx.doi.org/10.31399/asm.cp.itsc2018p0371.
Rapporti di organizzazioni sul tema "Bi-Molecular complexes":
Dubcovsky, Jorge, Tzion Fahima e Ann Blechl. Positional cloning of a gene responsible for high grain protein content in tetraploid wheat. United States Department of Agriculture, settembre 2003. http://dx.doi.org/10.32747/2003.7695875.bard.
Lers, Amnon, e Pamela J. Green. LX Senescence-Induced Ribonuclease in Tomato: Function and Regulation. United States Department of Agriculture, settembre 2003. http://dx.doi.org/10.32747/2003.7586455.bard.