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91.
Multiscale Approach to the Study of the Electronic Properties of Two Thiophene Curcuminoid Molecules
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Alvaro Etcheverry‐Berríos Ignacio Olavarría Dr. Mickael L. Perrin Raúl Díaz‐Torres Domingo Jullian Dr. Ingrid Ponce Dr. José H. Zagal Dr. Jorge Pavez Dr. Sergio O. Vásquez Dr. Herre S. J. van der Zant Dr. Diana Dulić Dr. Núria Aliaga‐Alcalde Dr. Monica Soler 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(36):12808-12818
We studied the electronic and conductance properties of two thiophene–curcuminoid molecules, 2‐thphCCM ( 1 ) and 3‐thphCCM ( 2 ), in which the only structural difference is the position of the sulfur atoms in the thiophene terminal groups. We used electrochemical techniques as well as UV/Vis absorption studies to obtain the values of the HOMO–LUMO band gap energies, showing that molecule 1 has lower values than 2 . Theoretical calculations show the same trend. Self‐assembled monolayers (SAMs) of these molecules were studied by using electrochemistry, showing that the interaction with gold reduces drastically the HOMO–LUMO gap in both molecules to almost the same value. Single‐molecule conductance measurements show that molecule 2 has two different conductance values, whereas molecule 1 exhibits only one. Based on theoretical calculations, we conclude that the lowest conductance value, similar in both molecules, corresponds to a van der Waals interaction between the thiophene ring and the electrodes. The one order of magnitude higher conductance value for molecule 2 corresponds to a coordinate (dative covalent) interaction between the sulfur atoms and the gold electrodes. 相似文献
92.
Maja Ponikvar-Svet Diana N. Zeiger Loryn R. Keating Joel F. Liebman 《Structural chemistry》2012,23(6):2019-2037
In the current review of the journal Structural Chemistry, the contents of the issues 1–3 for the calendar year 2012 are related to thermochemistry. A brief thermochemical commentary is added to the summary of each article. 相似文献
93.
Deepti A. Salvi Giovanna M. Aita Diana Robert Victor Bazan 《Applied biochemistry and biotechnology》2010,161(1-8):67-74
A new pretreatment technology using dilute ammonium hydroxide was evaluated for ethanol production on sorghum. Sorghum fibers, ammonia, and water at a ratio of 1:0.14:8 were heated to 160 °C and held for 1 h under 140–160 psi pressure. Approximately, 44% lignin and 35% hemicellulose were removed during the process. Hydrolysis of untreated and dilute ammonia pretreated fibers was carried out at 10% dry solids at an enzyme concentration of 60 FPU Spezyme CP and 64 CBU Novozyme 188/g glucan. Cellulose digestibility was higher (84%) for ammonia pretreated sorghum as compared to untreated sorghum (38%). Fermentations with Saccharomyces cerevisiae D5A resulted in 24 g ethanol /100 g dry biomass for dilute ammonia pretreated sorghum and 9 g ethanol /100 g dry biomass for untreated sorghum. 相似文献
94.
First total synthesis of A(2) isoprostane 总被引:1,自引:0,他引:1
A stereoselective Julia-Lythgoe olefination has allowed the first total synthesis of A(2) isoprostane (1), a recently discovered member of the growing isoprostane family. This elusive compound opens up numerous new avenues for the molecular biology of cyclopentenone prostaglandins, which are endowed of intriguing biological effects such as antitumor, antiinflammatory, and antiviral activities. 相似文献
95.
[reaction: see text] Data are presented indicating that the potent antitumor activity of 2-crotonyloxymethyl-(4R,5R,6R)-4,5,6-trihydroxy-2-cyclohexenone (COTC) and 2-crotonyloxymethyl-2-cyclohexenone (COMC) is not likely the result of glyoxalase I inhibition, as has long been assumed. An alternative hypothesis is presented, based on the finding that COMC is a substrate for human glutathionyl transferase, which produces a transient, highly electrophilic glutathionylated 2-exomethylenecyclohexanone that can covalently modify proteins and nucleic acids. 相似文献
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98.
It is proved that the space of functions constant on vertical lines is not complemented in the space of all measurable functions
on the unit square (with the topology of convergence in measure). The analogous results is proved for the space of all measurable
functions on the product of two probability spaces, one of which is atomless.
This research was partially supported by National Science Foundation grant N.S.F. GP 28577. 相似文献
99.
Bifunctional, conjugated oligomers for orthogonal self-assembly: selectivity varies from planar substrates to nanoparticles 总被引:1,自引:0,他引:1
Walker BR Wassel RA Stefanescu DM Gorman CB 《Journal of the American Chemical Society》2004,126(50):16330-16331
A diphenylacetylene containing two different end groups (isonitrile and thioacetate) was synthesized, showing that the chemistry used to install each end group is compatible with that of the others. The isonitrile group binds preferentially to platinum, and the thiol group binds preferentially to gold. However, the selectivity was different when nanoparticles were compared to planar substrates. 相似文献
100.
Kettle SF Boccaleri E Diana E Rossetti R Stanghellini PL Iapalucci MC Longoni G 《Inorganic chemistry》2003,42(20):6314-6322
The nu(CO) vibrational spectra of planar transition cluster carbonyls containing M(CO)(4) groups are studied. It is possible to anticipate qualitatively, both for the infrared and Raman, the band intensity changes associated with increasing metallic nature of the cluster. These enable a unification of the band patterns shown by the species reported. As for (idealized) spherical clusters, the spherical harmonic model (SHM), suitably modified, becomes of more general applicability as cluster size increases, although for smaller species the tensor harmonic model (THM) makes a contribution. 相似文献