Results 51 to 60 of about 17,729 (255)

Stereochemical Properties of Two Schiff-Base Transition Metal Complexes and Their Ligand by Using Multiple Chiroptical Spectroscopic Tools and DFT Calculations

Molecules, 2023
Two transition metal complexes were synthesized with Ni(II) and Cu(II) using a tetradentate Schiff-base ligand, (R,R) and (S,S)-N,N′-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine.
Guojie Li, Dan Li, Mutasem Alshalalfeh, Joseph Cheramy, Hui Zhang, Yunjie Xu   +5 more
doaj   +1 more source

Application of compressed sensing to the simulation of atomic systems

, 2012
Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and engineering.
A. Aspuru-Guzik, Alonso, Andrade, Andrade, Ceotto, J. N. Sanders, Lee, Lustig, Mancal, Perdew, Shabani, Stern, Takimoto, Varsano, X. Andrade, Yuen-Zhou, Zhu   +16 more
core   +1 more source

A broadband silicon quarter-wave retarder for far-infrared spectroscopic circular dichroism

, 2014
The high brightness, broad spectral coverage and pulsed characteristics of infrared synchrotron radiation enable time-resolved spectroscopy under throughput-limited optical systems, as can occur with the high-field magnet cryostat systems used to study ...
Carr, G. L., Gilbert, S. N., Sirenko, A. A., Smith, R. J., Stanislavchuk, T. N., Tu, J. J., Xi, Xiaoxiang   +6 more
core   +1 more source

Reaction Monitoring Using Mid-Infrared Laser-Based Vibrational Circular Dichroism [PDF]

, 2014
Changes in vibrational circular dichroism (VCD) were recorded on-line during a chemical reaction. The chiral complex nickel-(–)-sparteine chloride was hydrolyzed to free (–)-sparteine base in a biphasic system of sodium hydroxide solution and ...
Bonmarin, Bourˇ, Chen, Freedman, Freedman, Guo, Guo, Hache, He, Hendler, Hendler, Hsu, Izumi, Keiderling, Lewis, Lórenz-Fonfría, Lüdeke, Mason, Mattigod, Mendonça, Müller, Nafie, Nafie, Press, Rhee, Zewail   +25 more
core   +1 more source

The development of biomolecular Raman optical activity spectroscopy [PDF]

, 2015
Following its first observation over 40 years ago, Raman optical activity (ROA), which may be measured as a small difference in the intensity of vibrational Raman scattering from chiral molecules in right- and left-circularly polarized incident light or,
Barron, Laurence D.
core   +1 more source

Physico-Chemical Changes Induced by Gamma Irradiation on Some Structural Protein Extracts

Biomolecules, 2023
In this study, the effect of gamma irradiation (10 kGy) on proteins extracted from animal hide, scales, and wool was evidenced by calorimetric (μDSC) and spectroscopic (IR, circular dichroism, and EPR) methods.
Maria Stanca, Carmen Gaidau, Traian Zaharescu, George-Alin Balan, Iulia Matei, Aurica Precupas, Anca Ruxandra Leonties, Gabriela Ionita   +7 more
doaj   +1 more source

Determination of the Absolute Configurations of Chiral Drugs Using Chiroptical Spectroscopy

Molecules, 2016
Chiroptical spectroscopy has emerged as a promising tool for the determination of absolute configurations and predominant conformations of chiral molecules in academic laboratories.
Prasad L. Polavarapu
doaj   +1 more source

BILIPROTEINS FROM THE BUTTERFLY Pieris brassicae STUDIED BY TIME-RESOLVED FLUORESCENCE AND COHERENT ANTI-STOKES RAMAN SPECTROSCOPY [PDF]

, 1988
The fluorescence decay time of the biliverdin IX7 chromophore present in biliproteins isolated from Pieris brassicae is determined to be 44 ± 3 ps. This value suggests a cyclic helical chromophore structure. The vibrational frequencies determined by CARS-
Hefferle P., Holzwarth A. R., Rudiger W., Scheer H., Scheer H., Scheer H., Schneider S., Schneider S., Schneider S., Schneider S.   +9 more
core   +1 more source

Wavelength‐Dependent Differential Amplification of Raman Scattering by Chiral Gold Nanorods for Multiplexed Encoding

Advanced Functional Materials, EarlyView.
The SERS spectra of reporter molecules adsorbed on chiral gold nanorods depends on the handedness of circularly polarized light (CPL‐SERS). The bisignate plasmonic CD spectra of chiral nanorods provides wavelength‐dependent CPL‐SERS. Selective discrimination of chiral nanorod handedness and different Raman reporters allow highly sensitive codification ...
Andrés Serrano‐Freijeiro, Carlos Renero‐Lecuna, Manuel Obelleiro‐Liz, Víctor F. Martín, Diptesh Dey, José M. Taboada, George C. Schatz, Isabel Pastoriza‐Santos, Jorge Pérez‐Juste, Luis M. Liz‐Marzán   +9 more
wiley   +1 more source

Explicit factorization of external coordinates in constrained Statistical Mechanics models [PDF]

, 2006
If a macromolecule is described by curvilinear coordinates or rigid constraints are imposed, the equilibrium probability density that must be sampled in Monte Carlo simulations includes the determinants of different mass-metric tensors.
Abagyan, Abagyan, Almarza, Alonso, Barron, Berendsen, Berendsen, Case, Chandler, Chass, Chen, Chen, Choi, Chun, Cramer, Császár, Den Otter, Dill, Dobson, Echenique, Echenique, Fixman, Fixman, Gō, Gō, Hansmann, He, Helfand, Hess, Jain, Keiderling, Klos, Levantino, Láng, Mantsch, Mazur, Morse, Nivón, Pasquali, Patriciu, Pear, Pelton, Perchak, Perczel, Plotkin, Rallison, Reich, Senderowitz, Shental-Benchor, Shimada, Smith, Sreerama, Taylor, Van Gunsteren, Van Kampen, Van Kampen, Vargas, Wilson, Yang, Yu, Zhou, Álvarez-Estrada, Álvarez-Estrada   +62 more
core   +3 more sources