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Journal articles on the topic 'Conjugated and cumulated molecules'

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Author: Grafiati

Published: 18 May 2024

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1

Sarbadhikary, Prodipta, Suranjan Shil, and Anirban Misra. "Magnetic and transport properties of conjugated and cumulated molecules: the π-system enlightens part of the story." Physical Chemistry Chemical Physics 20, no. 14 (2018): 9364–75. http://dx.doi.org/10.1039/c7cp06113g.

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We have investigated the intramolecular magnetic exchange coupling constants (J) for a series of nitronyl nitroxide diradicals connected by a range of linear conjugated and cumulene couplers focusing on the unusual π-interaction properties within the couplers.

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2

Horká, Petra, Vladimír Vrkoslav, Jiří Kindl, Karolina Schwarzová-Pecková, and Josef Cvačka. "Structural Characterization of Unusual Fatty Acid Methyl Esters with Double and Triple Bonds Using HPLC/APCI-MS2 with Acetonitrile In-Source Derivatization." Molecules 26, no. 21 (October 26, 2021): 6468. http://dx.doi.org/10.3390/molecules26216468.

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Double and triple bonds have significant effects on the biological activities of lipids. Determining multiple bond positions in their molecules by mass spectrometry usually requires chemical derivatization. This work presents an HPLC/MS method for pinpointing the double and triple bonds in fatty acids. Fatty acid methyl esters were separated by reversed-phase HPLC with an acetonitrile mobile phase. In the APCI source, acetonitrile formed reactive species, which added to double and triple bonds to form [M + C3H5N]+• ions. Their collisional activation in an ion trap provided fragments helpful in localizing the multiple bond positions. This approach was applied to fatty acids with isolated, cumulated, and conjugated double bonds and triple bonds. The fatty acids were isolated from the fat body of early-nesting bumblebee Bombus pratorum and seeds or seed oils of Punicum granatum, Marrubium vulgare, and Santalum album. Using the method, the presence of the known fatty acids was confirmed, and new ones were discovered.

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3

Renard, Emma, Olivier Raguin, Victor Goncalves, Celine Mothes, Mathieu Moreau, Claire Bernhard, Peggy Provent, et al. "Abstract 1401: Lead optimization of radiopharmaceuticals for molecular radiotherapy and preclinical evaluation." Cancer Research 82, no. 12_Supplement (June 15, 2022): 1401. http://dx.doi.org/10.1158/1538-7445.am2022-1401.

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Abstract Molecular Radiotherapy (MRT) targeting SSTR2 or PSMA have proven to be highly efficient for the treatment of neuroendocrine or metastatic prostate cancer, respectively. Beyond the leading radiopharmaceutical molecules 177Lu-DOTATATE or 177Lu-PSMA-617, a variety of vectors (small molecules, peptides, panel of biologics) have been developed on the same targets in order to improve the biodistribution within the tumor, the blood clearance, the route of elimination or the dosimetry. The labeling of the targeting ligand, whatever its nature, is a crucial step as it may affect significantly the properties of the theranostic conjugate, i.e. its binding affinity, PK and biodistribution. The addition of linkers, such as albumin binding domain or PEG, and choice of chelating agents have a major impact on the chemical and biological properties of the vectors. Random or site-specific bioconjugation, click chemistry, also have to be considered in the early stage as the choice of the selected technology will modify your development plan and manufacturing. New ligands and biological platforms are now being developed based on this historical knowledge, improved Target Product Profiles are built to conduct optimal lead optimization of MRT. Herein, we will present our lead optimization and preclinical evaluation process to select efficiently good radiolabeled molecules and list the key parameters to be checked. To date, it remains hard to predict the behavior of the modified bioconjugated molecules, and versatile synthesis strategies are needed to screen various combinations of radiometal complexes, linker and conjugation function, in order to converge rapidly to the optimized bioconjugate. As an example, we will present a study case where the conjugation of various bifunctional chelating agents on a small NTS1 receptor antagonist resulted in drastically different in vivo behavior of the resulting 68Ga-labeled compounds. Once optimal in vivo tumor uptake has been achieved, preclinical evaluation requires the selection of appropriate and relevant models, driven by target expression, radioresistance, and potentially tumor immune infiltrate for combination studies with immunotherapies. The therapeutic evaluation should take into consideration the dose and specific activity, the tolerance of a model related to ionizing radiations and the scheduling of treatments (cumulated dose, fractionation). We will present our recent results which highlight the importance to optimize these parameters to improve the efficacy of MRT. Citation Format: Emma Renard, Olivier Raguin, Victor Goncalves, Celine Mothes, Mathieu Moreau, Claire Bernhard, Peggy Provent, Frederic Boschetti, Franck Denat, Fabrice Viviani, Cyril Berthet. Lead optimization of radiopharmaceuticals for molecular radiotherapy and preclinical evaluation [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2022; 2022 Apr 8-13. Philadelphia (PA): AACR; Cancer Res 2022;82(12_Suppl):Abstract nr 1401.

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4

van Dongen, J. P. C. M., A. J. de Jong, H. A. Selling, P. P. Montijn, J. H. van Boom, and L. Brandsma. "Isomerization of conjugated and cumulated systems." Recueil des Travaux Chimiques des Pays-Bas 86, no. 10 (September 2, 2010): 1077–81. http://dx.doi.org/10.1002/recl.19670861008.

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5

Schonk, Ruud M., Bert H. Bakker, and Hans Cerfontain. "Reactions of cumulated and conjugated dienes with sulfur trioxide." Recueil des Travaux Chimiques des Pays-Bas 112, no. 3 (September 2, 2010): 201–9. http://dx.doi.org/10.1002/recl.19931120301.

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6

Zhu, Xiao-Qing, Hao Liang, Yan Zhu, and Jin-Pei Cheng. "Hydride Affinities of Cumulated, Isolated, and Conjugated Dienes in Acetonitrile." Journal of Organic Chemistry 73, no. 21 (November 7, 2008): 8403–10. http://dx.doi.org/10.1021/jo801536m.

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7

H. Muhammad, G. Tastemirova, and K. Abdibekova. "STRUCTURES OF ALKANDIENES IN HYDROCARBONS." Bulletin of Toraighyrov University. Chemistry & Biology series, no. 4.2022 (December 28, 2022): 19–33. http://dx.doi.org/10.48081/rglj8585.

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"Alkadienes have been under study for a long time, until the last decade of the 19th century, various structures have been known, each structure represents the specific chemical properties of the compound, alkadienes structures are the first important step for better identification of these compounds, by identifying the structures, different types of alkadienes can be distinguished from each other. Also, the structures of alkadienes and important synthetic compounds are of great value in industry and medicine. Conjugated, isolated, and cumulated structures have been identified by different people at different times in alkadienes. Compounds of alkadienes i.e. conjugated, isolated and cumulated alkadienes have chain and cyclic structures, alkadienes are used as medicine to treat some deadly diseases, for example Taxol in 1960, Jonathan Hartwell in the United States collected some plants such as pacific yew for the treatment of breast cancer. Also, in the 19th century, synthetic and natural polymers of alkadienes were widely used in the tire industry, in general, alkadienes are compounds that have two carbon-carbon double bonds (π) in their composition, that is why they are very active compounds, it is widely used in industry all over the world and they have caused the development of the world’s economy and industry. Keywords: Alkadienes, Nomenclature of alkadienes, Conjugated alkadienes, stability of conjugated alkadienes, Ultraviolet spectroscopy. "

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8

Nuckolls, Colin, Thomas J. Katz, and Louis Castellanos. "Aggregation of Conjugated Helical Molecules." Journal of the American Chemical Society 118, no. 15 (January 1996): 3767–68. http://dx.doi.org/10.1021/ja960145z.

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9

Dias, Jerry Ray. "Almost-isospectral conjugated polyene molecules." Chemical Physics Letters 253, no. 3-4 (May 1996): 305–12. http://dx.doi.org/10.1016/0009-2614(96)00258-8.

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10

Fox, J., Z. Dong, X. Liu, and G. Yap. "Parallel Alignment of Conjugated Rod Molecules." Synfacts 2007, no. 4 (April 2007): 0384. http://dx.doi.org/10.1055/s-2007-968319.

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11

Weber, H. B., J. Reichert, F. Weigend, R. Ochs, D. Beckmann, M. Mayor, R. Ahlrichs, and H. v. Löhneysen. "Electronic transport through single conjugated molecules." Chemical Physics 281, no. 2-3 (August 2002): 113–25. http://dx.doi.org/10.1016/s0301-0104(02)00343-9.

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12

Burn, P. L., R. Beavington, M. J. Frampton, J. N. G. Pillow, M. Halim, J. M. Lupton, and I. D. W. Samuel. "Structure–property relationships in conjugated molecules." Materials Science and Engineering: B 85, no. 2-3 (August 2001): 190–94. http://dx.doi.org/10.1016/s0921-5107(01)00609-2.

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13

Almeida, A. M., M. M. D. Ramos, and H. G. Correia. "Change mobility in conjugated polymer molecules." Computational Materials Science 27, no. 1-2 (March 2003): 128–32. http://dx.doi.org/10.1016/s0927-0256(02)00436-6.

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14

SCHONK, R. M., B. H. BAKKER, and H. CERFONTAIN. "ChemInform Abstract: Aliphatic Sulfonation. Part 11. Reactions of Cumulated and Conjugated Dienes with Sulfur Trioxide." ChemInform 24, no. 32 (August 20, 2010): no. http://dx.doi.org/10.1002/chin.199332108.

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15

Yang, Chunhe, Aiwei Tang, Fujun Zhang, and Feng Teng. "DFT investigation on organic dyes with cross-conjugated cyano groups." Journal of Theoretical and Computational Chemistry 13, no. 01 (February 2014): 1450008. http://dx.doi.org/10.1142/s0219633614500084.

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Organic dye molecules with the acceptor moieties, cyano groups, cross-conjugated to the donor moieties, have been investigated theoretically. Density functional theory (DFT) calculations on such cross-conjugated molecules reveal the effects of cross-conjugation on the geometric and electronic structures of the molecules. The cross-conjugated cyano groups in the dye molecules are found effective to alter the charge population and the frontier orbital energy levels of the dyes. The effects of cross-conjugation of cyano group on the molecular conformation, the charge transfer, and polarity of the dyes are discussed.

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16

Maeda, Hiromitsu, and Yuya Bando. "Recent progress in research on stimuli-responsive circularly polarized luminescence based on π-conjugated molecules." Pure and Applied Chemistry 85, no. 10 (October 1, 2013): 1967–78. http://dx.doi.org/10.1351/pac-con-12-11-09.

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This short review article summarizes recent progress in research on various stimuli-responsive circularly polarized luminescence (CPL) properties derived from π-conjugated molecules and related materials. As representative examples, assembled structures of chiral π-conjugated polymers and molecules showed tunable CPL resulting from the enhancement of chirality induction by aggregation. Fascinating CPL-active species, pyrrole-based anion-responsive π-conjugated molecules exhibiting CPL induced by anion binding and ion pairing, are also discussed.

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17

Ogata, Makoto. "Functional design of glycan-conjugated molecules using a chemoenzymatic approach." Bioscience, Biotechnology, and Biochemistry 85, no. 5 (February 15, 2021): 1046–55. http://dx.doi.org/10.1093/bbb/zbab024.

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ABSTRACT Carbohydrates play important and diverse roles in the fundamental processes of life. We have established a method for accurately and a large-scale synthesis of functional carbohydrates with diverse properties using a unique enzymatic method. Furthermore, various artificial glycan-conjugated molecules have been developed by adding these synthetic carbohydrates to macromolecules and to middle- and low-molecular-weight molecules with different properties. These glycan-conjugated molecules have biological activities comparable to or higher than those of natural compounds and present unique functions. In this review, several synthetic glycan-conjugated molecules are taken as examples to show design, synthesis, and function.

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18

Orita, Akihiro, Lasheng Jiang, Madoka Tsuruta, and Junzo Otera. "Novel π-Conjugated Cyclophanes: Magazine Rack Molecules." Chemistry Letters 31, no. 2 (February 2002): 136–37. http://dx.doi.org/10.1246/cl.2002.136.

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19

Aoki, Yuriko, Yuuichi Orimoto, and Akira Imamura. "One-Handed Helical Orbitals in Conjugated Molecules." ACS Central Science 4, no. 6 (May 16, 2018): 664–65. http://dx.doi.org/10.1021/acscentsci.8b00228.

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20

Aihara, Jun-ichi, Hideaki Kanno, and Toshimasa Ishida. "Magnetic Resonance Energies of Heterocyclic Conjugated Molecules." Journal of Physical Chemistry A 111, no. 36 (September 2007): 8873–76. http://dx.doi.org/10.1021/jp0733567.

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21

Zhang, Fuji, and Huaien Li. "On acyclic conjugated molecules with minimal energies." Discrete Applied Mathematics 92, no. 1 (March 1999): 71–84. http://dx.doi.org/10.1016/s0166-218x(98)00152-8.

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22

Bjorgaard, Josiah A., Andrew E. Sifain, Tammie Nelson, Thomas W. Myers, Jacqueline M. Veauthier, David E. Chavez, R. Jason Scharff, and Sergei Tretiak. "Two-Photon Absorption in Conjugated Energetic Molecules." Journal of Physical Chemistry A 120, no. 26 (June 23, 2016): 4455–64. http://dx.doi.org/10.1021/acs.jpca.6b03136.

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23

Li, Xueliang, Jianbin Zhang, and Bo Zhou. "On unicyclic conjugated molecules with minimal energies." Journal of Mathematical Chemistry 42, no. 4 (October 10, 2006): 729–40. http://dx.doi.org/10.1007/s10910-006-9116-7.

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24

Gierschner, J., H. J. Egelhaaf, H. G. Mack, D. Oelkrug, R. Martinez Alvarez, and M. Hanack. "Luminescence of Conjugated Molecules Confined in Nanochannels." Synthetic Metals 137, no. 1-3 (April 2003): 1449–50. http://dx.doi.org/10.1016/s0379-6779(02)01175-x.

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25

Yamamoto, Yohei. "Electroactive Nanotubes from π-Conjugated Discotic Molecules." Bulletin of the Chemical Society of Japan 84, no. 1 (January 15, 2011): 17–25. http://dx.doi.org/10.1246/bcsj.20100272.

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26

Vasil’eva, I. A. "Fine-Structure Fluorescence of Conjugated Chain Molecules." Optics and Spectroscopy 98, no. 5 (2005): 753. http://dx.doi.org/10.1134/1.1929062.

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27

Hendon, Christopher H., Davide Tiana, Alexander T. Murray, David R. Carbery, and Aron Walsh. "Helical frontier orbitals of conjugated linear molecules." Chemical Science 4, no. 11 (2013): 4278. http://dx.doi.org/10.1039/c3sc52061g.

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28

Meimel, Georg, Alexander Pogantsch, and Egbert Zojer. "Exciton-Phonon Coupling in Conjugated Organic Molecules." Physica Scripta T109 (2004): 156. http://dx.doi.org/10.1238/physica.topical.109a00156.

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29

Terao, Jun. "π-conjugated molecules covered by permethylated cyclodextrins." Chemical Record 11, no. 5 (September 7, 2011): 269–83. http://dx.doi.org/10.1002/tcr.201100009.

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30

Samorí, Paolo, Xinliang Feng, and Davide Bonifazi. "π‐Conjugated Molecules: From Structure to Function." ChemPlusChem 84, no. 9 (August 23, 2019): 1177–78. http://dx.doi.org/10.1002/cplu.201900442.

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31

Dumonteil, Geoffrey, and Sabine Berteina-Raboin. "Synthesis of Conjugated Dienes in Natural Compounds." Catalysts 12, no. 1 (January 13, 2022): 86. http://dx.doi.org/10.3390/catal12010086.

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This review describes the various synthetic methods commonly used to obtain molecules possessing conjugated dienes. We focus on methods involving cross-coupling reactions using various metals such as nickel, palladium, ruthenium, cobalt, cobalt/zinc, manganese, zirconium, or iron, mainly through examples that aimed to access natural molecules or their analogues. Among the natural molecules covered in this review, we discuss the total synthesis of a phytohormone, Acid Abscisic (ABA), carried out by our team involving the development of a conjugated diene chain.

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32

An, Cunbin, Yunpeng Qin, Tao Zhang, Qianglong Lv, Jinzhao Qin, Shaoqing Zhang, Chang He, Harald Ade, and Jianhui Hou. "Optimization of active layer morphology by small-molecule donor design enables over 15% efficiency in small-molecule organic solar cells." Journal of Materials Chemistry A 9, no. 23 (2021): 13653–60. http://dx.doi.org/10.1039/d0ta12242d.

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33

Hiroto, Satoru. "Development of synthetic protocols for porphyrins and their analogs based on distorted structures — a SPP/JPP Young Investigator Award paper." Journal of Porphyrins and Phthalocyanines 24, no. 11n12 (October 21, 2020): 1258–71. http://dx.doi.org/10.1142/s1088424620500376.

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Creation of novel [Formula: see text]-conjugated molecules is an important research topic. I describe in this account an approach to this aim that is based on the use of the distorted conformation of porphyrins. Planarization of distorted molecules enables the synthesis of heteroatom-containing porphyrin derivatives. Furthermore, dearomatization reaction proves effective to construct distorted conformations from planar [Formula: see text]-conjugated molecules under mild reaction conditions. According to this protocol, we have succeeded in the synthesis of heteroatom-containing curved-[Formula: see text] conjugated molecules that had never been achieved by conventional protocols. In particular, a nitrogen-embedded buckybowl is the first example of a buckybowl having a heteroatom in its central position, which exhibits unique properties due to the incorporation of the heteroatom in its curved [Formula: see text]-surface.

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34

Randić, Milan, Sonja Nikolić, and Nenad Trinajstić. "Aromaticity in heterocyclic molecules containing divalent sulfur." Collection of Czechoslovak Chemical Communications 53, no. 9 (1988): 2023–54. http://dx.doi.org/10.1135/cccc19882023.

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The conjugated circuits model is applied to heterocycles containing divalent sulfur. A novel parametrization is introduced for 4n + 2 and 4n conjugated circuits containing a single sulfur atom. The relative aromatic stabilities of a number of heterocyclic systems containing divalent sulfur are studied. Comparison is made whenever possible with earlier reported resonance energies of these compounds, obtained by using Huckel MO and SCF π-MO models, and appropriate reference structures. Special attention is given to positional isomers. An explanation of the differences amongst such isomers is given.

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35

Hiroto, Satoru, and Hiroshi Shinokubo. "Synthesis of Heteroatom-Containing Curved π-Conjugated Molecules." Journal of Synthetic Organic Chemistry, Japan 76, no. 1 (2018): 37–44. http://dx.doi.org/10.5059/yukigoseikyokaishi.76.37.

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36

Ha Hoang, Mai, Duc Nghia Nguyen, and Dong Hoon Choi. "π-extended conjugated semiconducting molecules based on triphenylene." Advances in Natural Sciences: Nanoscience and Nanotechnology 2, no. 3 (June 21, 2011): 035002. http://dx.doi.org/10.1088/2043-6262/2/3/035002.

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37

Dadosh, Tali, Yoav Gordin, Roman Krahne, Ilya Khivrich, Diana Mahalu, Veronica Frydman, Joseph Sperling, Amir Yacoby, and Israel Bar-Joseph. "Measurement of the conductance of single conjugated molecules." Nature 436, no. 7051 (August 4, 2005): 677–80. http://dx.doi.org/10.1038/nature03898.

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38

Matsushita, Michio M., Tomoyuki Tachikawa, Takehiko Suzuki, Tadashi Kawai, and Tomokazu Iyoda. "Photoelectrochemical Spin Manipulation of N-Arylviologen Conjugated Molecules." Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 334, no. 1 (September 1, 1999): 149–56. http://dx.doi.org/10.1080/10587259908023312.

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39

Liang, Y. Y., Y. X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe. "Current through single conjugated molecules: Calculations versus measurements." Journal of Chemical Physics 129, no. 2 (July 14, 2008): 024901. http://dx.doi.org/10.1063/1.2951986.

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40

Gel’mukhanov, Faris, Li Yang, and Hans Ågren. "Theory of x‐ray emission of conjugated molecules." Journal of Chemical Physics 105, no. 12 (September 22, 1996): 5224–32. http://dx.doi.org/10.1063/1.472365.

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41

Lu, Mei, Lian-zhu Zhang, and Feng Tian. "On the Randić Index of Acyclic Conjugated Molecules." Journal of Mathematical Chemistry 38, no. 4 (November 2005): 677–84. http://dx.doi.org/10.1007/s10910-005-6892-4.

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42

Liu, Huiqing, Xiangfeng Pan, and Jun-Ming Xu. "On the Randić Index of Unicyclic Conjugated Molecules." Journal of Mathematical Chemistry 40, no. 2 (March 13, 2006): 135–43. http://dx.doi.org/10.1007/s10910-005-9017-1.

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43

Mizoguchi, Noriyuki. "H�ckel and M�bius cyclic conjugated molecules." Journal of Mathematical Chemistry 7, no. 1 (December 1991): 325–40. http://dx.doi.org/10.1007/bf01200830.

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44

Sixl, H., and R. Warta. "Elementary excitations in linear-chain conjugated polydiacetylene molecules." Chemical Physics Letters 116, no. 4 (May 1985): 307–11. http://dx.doi.org/10.1016/0009-2614(85)80174-3.

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45

Li, Xiaolong, Hongmei Liu, and Jianwei Zhao. "Length-dependent Conductance in Conjugated Molecules in Parallel." Chemistry Letters 44, no. 2 (February 5, 2015): 208–10. http://dx.doi.org/10.1246/cl.140969.

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46

Lovey, D. A., and R. H. Romero. "CONDUCTANCE AND ELECTRONIC STRUCTURE OF CONJUGATED ORGANIC MOLECULES." Anales AFA 23, no. 1 (July 29, 2013): 171–75. http://dx.doi.org/10.31527/analesafa.2013.23.1.171.

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47

Ohmae, Takayuki. "Solvent Effects on Chemical Reactivities of Conjugated Molecules." Bulletin of the Chemical Society of Japan 58, no. 1 (January 1985): 47–51. http://dx.doi.org/10.1246/bcsj.58.47.

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48

Maeda, Hiromitsu. "Supramolecular Chemistry of Pyrrole-Based π-Conjugated Molecules." Bulletin of the Chemical Society of Japan 86, no. 12 (December 15, 2013): 1359–99. http://dx.doi.org/10.1246/bcsj.20130219.

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49

Tretiak, S., A. Saxena, R. L. Martin, and A. R. Bishop. "Geometry Relaxation of Photoexcited States in Conjugated Molecules." Phase Transitions 75, no. 7-8 (January 2002): 725–32. http://dx.doi.org/10.1080/01411590290033831.

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50

Ferrante, C., A. Speghini, A. Feis, and R. Bozio. "Resonance CARS of conjugated molecules in condensed phase." Il Nuovo Cimento D 14, no. 10 (October 1992): 1015–22. http://dx.doi.org/10.1007/bf02455363.

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