Search results for "reduction"

Photochemical preparation of polyaminocyclodextrin-capped silver nanocomposites: mechanistic insights

2016

Photoreduction of silver salts in the presence of three polyaminocyclodextrin derivatives (AmCD, Figure 1) constitutes a simple and straightforward route to obtain stable Ag nanoparticles. These systems have been suitably characterized (UV-vis, FT-IR, TEM, Figure 2) and tested for their antimicrobial activity.1 We observed that Ag photoreduction is effectively induced by irradiation with green light (513 nm); however, best performances are achieved with the use of a light source having at the same time a significant emission in the near-infrared (NIR) region. On the grounds of analytical and kinetic evidences, we hypothesized a multi-step mechanism for nanoparticle formation. In particular,…

Convenient Photochemical Synthesis of Silver-Polyaminocyclodextrin Nanocomposites: The Role of the Light Source from a Mechanistic Viewpoint

2018

An investigation on the light-driven reduction of the [Ag(NH3)2]+complex in the presence of polyaminocyclodextrins was carried out, in order to clarify the mechanism of the process. The role of the organic auxiliary as both the sacrificial reductant and the capping agent was positively assessed. Moreover, particular attention was paid to the role of the irradiation source. Experimental results indicate that a complex mechanism is involved in the formation of the nanocomposite, with a primary photoinduced single-electron-transfer process promoted by irradiation with green light, followed by a secondary chemical reduction process activated by NIR. Representative composites were characterized …

Enhanced electron-transfer properties of cofacial porphyrin dimers through pi-pi interactions

2009

pi-pi assisted: Photoinduced electron transfer from cofacial porphyrin dimers to electron acceptors is prominently accelerated, whereas the back electron transfer is decelerated, relative to the corresponding porphyrin monomer (see figure).The radical cation of zinc tetrapentylporphyrin is dimerized with an excess of the neutral counterpart to form the dimer radical cation in which the unpaired electron is delocalized over both porphyrin rings. The dimeric radical cation exhibits an NIR absorption spectrum characteristic of weak pi-bond formation between the porphyrin rings. When cofacial porphyrin dimers, linked by different spacers, are oxidized such pi-bond formation between the porphyri…

Phthalocyanines-TiO2: A New Efficient and Tunable Catalyst for CO2 Reduction in Water

2014

From local measures to regional impacts: Modelling changes in nutrient loads to the Baltic Sea

2021

Study Region: Our study region is the Baltic Sea Drainage Basin (BSDB), which covers an area of 1.8 Mio km2 distributed over 14 countries in northern Europe. Study Focus: We use a large-scale hydrological and nutrient transport model (E-HYPE) to model basin-wide impacts of measure scenarios on the Baltic Sea, where eutrophication is a critical issue for the marine ecosystem. We constructed measure scenarios based on stakeholder acceptance, established in workshops in different regions around the Baltic. These measures include local stream reach to catchment scale measures aiming to reduce nutrient transport into the stream network (buffer strips, stormwater ponds) and measures aiming to red…

Studies on the response of a water-Cherenkov detector of the Pierre Auger Observatory to atmospheric muons using an RPC hodoscope

2020

Extensive air showers, originating from ultra-high energy cosmic rays, have been successfully measured through the use of arrays of water-Cherenkov detectors (WCDs). Sophisticated analyses exploiting WCD data have made it possible to demonstrate that shower simulations, based on different hadronic-interaction models, cannot reproduce the observed number of muons at the ground. The accurate knowledge of the WCD response to muons is paramount in establishing the exact level of this discrepancy. In this work, we report on a study of the response of a WCD of the Pierre Auger Observatory to atmospheric muons performed with a hodoscope made of resistive plate chambers (RPCs), enabling us to selec…

Scheduled Relaxation Jacobi method: improvements and applications

2016

Elliptic partial differential equations (ePDEs) appear in a wide variety of areas of mathematics, physics and engineering. Typically, ePDEs must be solved numerically, which sets an ever growing demand for efficient and highly parallel algorithms to tackle their computational solution. The Scheduled Relaxation Jacobi (SRJ) is a promising class of methods, atypical for combining simplicity and efficiency, that has been recently introduced for solving linear Poisson-like ePDEs. The SRJ methodology relies on computing the appropriate parameters of a multilevel approach with the goal of minimizing the number of iterations needed to cut down the residuals below specified tolerances. The efficien…

Classification of gravitational-wave glitches via dictionary learning

2018

We present a new method for the classification of transient noise signals (or glitches) in advanced gravitational-wave interferometers. The method uses learned dictionaries (a supervised machine learning algorithm) for signal denoising, and untrained dictionaries for the final sparse reconstruction and classification. We use a data set of 3000 simulated glitches of three different waveform morphologies, comprising 1000 glitches per morphology. These data are embedded in non-white Gaussian noise to simulate the background noise of advanced LIGO in its broadband configuration. Our classification method yields a 96% accuracy for a large range of initial parameters, showing that learned diction…

A partially reflecting random walk on spheres algorithm for electrical impedance tomography

2015

In this work, we develop a probabilistic estimator for the voltage-to-current map arising in electrical impedance tomography. This novel so-called partially reflecting random walk on spheres estimator enables Monte Carlo methods to compute the voltage-to-current map in an embarrassingly parallel manner, which is an important issue with regard to the corresponding inverse problem. Our method uses the well-known random walk on spheres algorithm inside subdomains where the diffusion coefficient is constant and employs replacement techniques motivated by finite difference discretization to deal with both mixed boundary conditions and interface transmission conditions. We analyze the global bias…

Frequency Range Selection Method for Vibrational Spectra

2018

Theoretical calculations of vibrational properties are widely used to explain and predict experimental spectra. However, with standard quantum chemical methods all molecular motions are considered, which is rather time-consuming for large molecules. Because typically only a specific spectral region is of experimental interest, we propose here an efficient method that allows calculation of only a selected frequency interval. After a computationally cheap low-level estimate of the molecular motions, the computational time is proportional to the number of normal modes needed to describe this frequency range. Results for a medium-sized molecule show a reduction in computational time of up to 1 …