Listar Departament: Química Física i Analítica por título
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Molecular Mechanism of the site-specific self-cleavage of the RNA phosphodiester backbone by a Twister Ribozyme
Springer (2017-02)The catalytic activity of some classes of natural RNA, named as ribozymes, has been discovered just in the past decades. In this paper, the cleavage of the RNA phosphodiester backbone has been studied in aqueous solution ... -
Molecular recognition in Mn-catalyzed C–H oxidation. Reaction mechanism and origin of selectivity from a DFT perspective
Royal Society of Chemistry (2009)Experimental studies have shown that the C–H oxidation of Ibuprofen and methylcyclohexane acetic acid can be carried out with high selectivities using [(terpy’)Mn(OH2)(μ-O)2Mn(OH2)(terpy’)]3+ as catalyst, where terpy’ is ... -
Monitoring a large number of pesticides and transformation products in water samples from Spain and Italy
Elsevier (2017-07)Assessing the presence of pesticides in environmental waters is particularly challenging because of the huge number of substances used which may end up in the environment. Furthermore, the occurrence of pesticide transformation ... -
Monitoring disopyramide, lidocaine and quinidine by micellar liquid chromatography.
© 2011 AOAC INTERNATIONAL (2011-04)A micellar liquid chromatography (MLC) method using a C18 column was developed to determine three antiarrhythmic drugsdisopyramide, lidocaine, and quinidinethat are most usually monitored in serum samples. After the ... -
Monitoring of HAART regime antiretrovirals in serum of acquired immunodeficiency syndrome patients by micellar liquid chromatography
Royal Society of Chemistry (2012-07)A methodology based on micellar liquid chromatography to monitor five antiretroviral drugs (lamivudine, stavudine, tenofovir, zidovudine and efavirenz) was proposed. Antiretrovirals were studied in sets of three, corresponding ... -
Monitoring of Student Progress and Evaluation in the Subject "Chemistry Laboratory I"
IATED Academy (2019-07)The subject “Chemistry Laboratory I” is taught in the first academic year of the Degree in Chemistry. Its main objective is for the student to get a first contact with the basic laboratory operations and become aware of ... -
Monitoring psychoactive substance use at six European festivals through wastewater and pooled urine analysis
Elsevier (2020-07-10)The consumption of psychoactive substances is considered a growing problem in many communities. Moreover, new psychoactive substances (NPS) designed as (legal) substitutes to traditional illicit drugs are relatively easily ... -
Monitoring strychnine and brucine in biochemical samples using direct injection micellar liquid chromatography
Royal Society of Chemistry (2013)Nux-vomica is a tropical plant that contains two ergot alkaloids i.e. strychnine and brucine which have pharmaceutical and toxic properties. In some places, for example in India, Nux-vomica is used in ayurvedic preparations ... -
Morphology and Band Structure of Orthorhombic PbS Nanoplatelets: An Indirect Band Gap Material
American Chemical Society (2021-01-12)PbS quantum dots and nanoplatelets (NPLs) are of enormous interest in the development of optoelectronic devices. However, some important aspects of their nature remain unclear. Recent studies have revealed that colloidal ... -
Multi-class determination of undesirables in aquaculture samples by gas chromatography/tandem mass spectrometry with atmospheric pressure chemical ionization: A novel approach for polycyclic aromatic hydrocarbons
Elsevier (2017)In this work, a method for the analysis of 24 PAHs in 19 different matrices, including fish tissues, feeds and feed ingredients, has been developed using gas chromatography coupled to triple quadrupole tandem mass ... -
Multi-particle states of semiconductor hexagonal rings: Artificial benzene
American Institute of Physics (AIP) (2012)We present a theoretical and numerical investigation of correlated multi-electron states of hexagonal semiconductor rings. Both single-particle and correlated states show localization patterns in the six corners and ... -
N, P, and As Ylides and Aza- and Arsa-Wittig Reactions from Topological Analyses of Electron Density
ACS (2011-07)The nature of bonding between N, P, and As constituent atoms in ylide systems with the R3XYR′ formula (X = N, P, As; Y = N, P, As; R = F, H; R′ = H, CH3) has been characterized by ab initio (MP2/6-311++G**) and density ... -
Nanolayered cobalt–molybdenum sulphides (Co–Mo–S) catalyse borrowing hydrogen C–S bond formation reactions of thiols or H2S with alcohols
Royal Society of Chemistry (2019)Nanolayered cobalt–molybdenum sulphide (Co–Mo–S) materials have been established as excellent catalysts for C–S bond construction. These catalysts allow for the preparation of a broad range of thioethers in good to excellent ... -
Nature and Control of Shakeup Processes in Colloidal Nanoplatelets
American Chemical Society (2020-10-29)Recent experiments suggest that the photoluminescence line width of CdSe nanoplatelets (NPLs) and core/shell CdSe/CdS NPLs may be broadened by the presence of shakeup (SU) lines from negatively charged trions. We carry ... -
Nature of Irreversible Inhibition of Human 20S Proteasome by Salinosporamide A. The Critical Role of Lys–Asp Dyad Revealed from Electrostatic Effects Analysis
American Chemical Society (2021-03-05)20S proteasome is the enzymatic core engine involved in the processes of cellular protein regulation, thus becoming a promising target inter alia in the therapy of many diseases. In this work, the mechanism of the irreversible ... -
Nature of the ring-closure process along the rearrangement of octa-1,3,5,7-tetraene to cycloocta-1,3,5-triene from the perspective of the electron localization function and catastrophe theory
Wiley-Blackwell (2012)We analyze the behavior of the energy profile of the ring-closure process for the transformation of (3Z,5Z)-octa-1,3,5,7-tetraene 5 to (1Z,3Z,5Z)-cycloocta-1,3,5-triene 6 through a combination of electron localization ... -
New Ag(I)–Iminophosphorane Coordination Polymers as Efficient Catalysts Precursors for the MW-Assisted Meyer–Schuster Rearrangement of Propargylic Alcohols in Water
American Chemical Society (2013)Treatment of the N-thiophosphorylated iminophosphorane ligands (PTA)═NP(═S)(OR)2 [PTA = 1,3,5-triaza-7-phosphaadamantane, 3a and 3b] and (DAPTA)═NP(═S)(OR)2 [DAPTA = 3,7-diacetyl-1,3,7-triaza-5-bicyclo[3.3.1]nonane, 4a and ... -
New challenges during pandemic times for laboratory subjects
International Academy of Technology, Education and Development (IATED) (2022)The second semester of the academic year 2019/20 was severely affected in Spain by home confinement due to the state of alarm decreed as a result of the SARS-CoV-2 pandemic (COVID-19). The teaching guides for all the ... -
New insight into the electronic structure of iron(IV)-oxo porphyrin compound I. A quantum chemical topological analysis
John Wiley & Sons (2013-02)The electronic structure of iron-oxo porphyrin π-cation radical complex Por·+FeIV[DOUBLE BOND]O (S[BOND]H) has been studied for doublet and quartet electronic states by means of two methods of the quantum chemical topology ... -
New insight into the spectroscopy of LaH by ab-initio methods
Elsevier (2021-07-10)By ab-initio methods, the spectroscopy of lanthanum hydride molecule LaH is predicted and the states involved in all the observed band systems are assigned. So, 34 low - lying 1,3Λ(±) states located below 31400 cm−1 are ...