Search results for "computer program"
showing 10 items of 807 documents
Use of recombinant collagenases class I and II in optimization of cell purification for tissue engineering applications
2014
44Ti/44Sc Generator and synthesis of 44Sc-DOTA-TOC
2010
Development of non-equilibrium Green's functions for use with full interaction in complex systems
2016
We present an ongoing development of an existing code for calculating groundstate, steady-state, and transient properties of many-particle systems. The development involves the addition of the full four-index two electron integrals, which allows for the calculation of transport systems, as well as the extension to multi-level electronic systems, such as atomic and molecular systems and other applications. The necessary derivations are shown, along with some preliminary results and a summary of future plans for the code. peerReviewed
Chromogenic and fluorogenic reagents for chemical warfare nerve agents' detection
2008
The ease of production, the extreme toxicity of organophosphorus-containing nerve agents, and their facile use in terrorism attacks underscores the need to develop accurate systems to detect these chemicals. Among different technologies we review here recent advances in the design of chromo-fluorogenic methods for the specific detection of nerve agents. Optical sensing (especially colorimetric detection) requires usually low-cost and widely used instrumentation and offers the possibility of so-called “naked eye detection”. Recent reported examples suggest that the application of chromo-fluorogenic supramolecular concepts for the chromogenic or fluorogenic sensing of nerve agents might be an…
Electro-organic Synthesis as a Sustainable Alternative for Dehydrogenative Cross-Coupling of Phenols and Naphthols
2016
The dehydrogenative cross-coupling of phenols and naphthols can be achieved by several oxidative methods. However, the key is the use of fluorinated alcohols such as 1,1,1,3,3,3-hexafluoroisopropanol. The direct application of electricity represents an alternative synthetic approach, which is superior to other oxidizers (e.g., peroxides). The method is sustainable, inherently safe, and easily scalable.
Ab initio calculations on the molecular structure of fluorocyanopolyynes
1998
Abstract The molecular structure of the first three members of the fluorocyanopolyynes was studied by ab initio Hartree-Fock calculations with a polarized double zeta basis set and at MP2 level with the same basis set. Alternating triple and single bonds were found; a theoretical estimate of rotational constants and dipole moments was performed and a comparison with the available experimental data was made. An analysis of the theoretical vibrational frequencies of the title compounds was carried out.
Magnetic exchange interaction in clusters of orbitally degenerate ions. I. Effective Hamiltonian
2001
Abstract A new effective Hamiltonian is reported for the kinetic exchange between two arbitrary terms 2S A +1 Λ A and 2S B +1 Λ B that can be ground or excited in octahedrally coordinated transition metal ions. This Hamiltonian is applicable to both homo- and heterometallic clusters. For the homonuclear cluster the resonance part of the effective Hamiltonian is also presented for the case when one of the ions is excited. The operator part of the exchange Hamiltonian contains symmetry adapted products of the cubic irreducible tensors acting in orbital spaces ΛA and ΛB and scalar product of site spin operators. The parameters of the Hamiltonian are defined by the relevant intercenter transfer…
Decision letter: Activity-dependent death of transient Cajal-Retzius neurons is required for functional cortical wiring
2019
Schools That ‘Open Doors’ to Prevent Child Abuse in Confinement by COVID-19
2020
Background: Due to the expected increase in child abuse during the period of COVID-19 confinement, it is essential that social researchers and other professionals work together very quickly to provide alternatives that protect children. To respond to this extremely urgent demand, evidence-based actions are presented that are being carried out in nine schools in the autonomous communities of Valencia and Murcia, Spain, during the confinement with the goal of “opening doors” to foster supportive relationships and a safe environment to prevent child abuse. Methods: The research was conducted through the inclusion of teachers who are implementing these actions in dialogue with the researchers t…
A computer program suitable for analysis of choice of categories in biomedical data recognition problems.
1980
The optimum choice of categories in problems of medical data recognition is governed by the choice of categories, the selection of appropriate features, and by the choice of a loss function. Under these circumstances it is often difficult to find out the suitable classification scheme. The computer program described here serves for the design of the optimum recognition procedure. The Bayes rule is used as decision rule. A criterion for the comparison of different choice of categories is given. The program can be performed after estimation of the underlying prior probabilities and the conditional densities obtained from a training set, and before testing the decision rule with real data.