Search results for "force"

showing 10 items of 3423 documents

Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution

2015

Ab initio molecular dynamics (AIMD) simulations in trimethylamine N-oxide (TMAO)-D2O solution are employed to elucidate the effects of TMAO on the reorientational dynamics of D2O molecules. By decomposing the O-D groups of the D2O molecules into specific subensembles, we reveal that water reorientational dynamics are retarded considerably in the vicinity of the hydrophilic TMAO oxygen (O(TMAO)) atom, due to the O-D···O(TMAO) hydrogen-bond. We find that this reorientational motion is governed by two distinct mechanisms: The O-D group rotates (1) after breaking the O-D···O(TMAO) hydrogen-bond, or (2) together with the TMAO molecule while keeping this hydrogen-bond intact. While the orientatio…

Aqueous solutionLiquid waterAb initioTrimethylamineRadial distributionForce field (chemistry)Surfaces Coatings and FilmsAb initio molecular dynamicschemistry.chemical_compoundchemistryComputational chemistryChemical physicsMaterials ChemistryMoleculePhysical and Theoretical ChemistryThe Journal of Physical Chemistry B
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Conformational investigations of bis(α-aminoalkyl)phosphinic acids and studies of the stability of their complexes with Cu(II)

2008

Abstract Conformational investigations of a group of bis(α-aminoalkyl)phosphinic acids were performed by use of NMR spectroscopy and theoretical calculations. In the case of one of the studied compounds, substituted with aminobenzyl and amino(p-chlorobenzyl) moieties, a pH-dependent equilibrium between conformers, stabilized by intermolecular hydrogen bonds was observed. Potentiometric studies proved that these molecules formed stable complexes with copper(II) ions, where stoichiometry was 1:1 and 1:2 depending on pH of their aqueous solution.

Aqueous solutionStereochemistryHydrogen bondChemistryOrganic ChemistryIntermolecular forcePotentiometric titrationNuclear magnetic resonance spectroscopyAnalytical ChemistryInorganic ChemistryPolymer chemistryMoleculeConformational isomerismSpectroscopyStoichiometryJournal of Molecular Structure
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2019

Using the method of third-person elicitation and 171 interviews in Dar es Salaam, Tanzania, I examine one form of forced marriage, ‘marriage on the mat’ (ndoa ya mkeka). In it, girls’ parents use t...

ArcheologybiologyPoverty05 social sciences0507 social and economic geographyTransactional sexUrban poorbiology.organism_classification050701 cultural studies03 medical and health sciences0302 clinical medicineTanzania5. Gender equalityArts and Humanities (miscellaneous)Dar es salaamAnthropologyPolitical scienceAgency (sociology)030212 general & internal medicineSocioeconomicsForced marriageEthnos
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orthoFind Facilitates the Discovery of Homologous and Orthologous Proteins

2015

Finding homologous and orthologous protein sequences is often the first step in evolutionary studies, annotation projects, and experiments of functional complementation. Despite all currently available computational tools, there is a requirement for easy-to-use tools that provide functional information. Here, a new web application called orthoFind is presented, which allows a quick search for homologous and orthologous proteins given one or more query sequences, allowing a recurrent and exhaustive search against reference proteomes, and being able to include user databases. It addresses the protein multidomain problem, searching for homologs with the same domain architecture, and gives a si…

Architecture domainScienceBrute-force searchSequence alignmentComputational biologyBiologyAnnotationDatabases GeneticHomologous chromosomeAnimalsHumansWeb applicationAmino Acid SequenceGeneticsInternetMultidisciplinarySequence Homology Amino Acidbusiness.industryQRProteinsSequence homologyProteomeMedicinebusinessSequence AlignmentSoftwareResearch ArticlePLOS ONE
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Light-induced opening and closing of the intramolecular hydrogen bond in glyoxylic acid.

2013

The isomerization process of glyoxylic acid (GA) conformers and their complexes with a water molecule were studied in a low temperature argon matrix. The research target was to understand how starting conformation and complexation affects the near-IR (NIR) induced conformer interconversion. The most stable GA conformer (Tc) is characterized by an intramolecular hydrogen bond, and it is found to undergo light-induced conformer interconversion slower than the open (Tt) conformer. Upon complexation with water, the isomerization processes slow down in the case of the Tc conformer, whereas for the Tt-based complex the influence of water is negligible on the isomerization process.

ArgonChemistryHydrogen bondchemistry.chemical_elementPhotochemistrychemistry.chemical_compoundIntramolecular forceLight inducedMoleculePhysical and Theoretical ChemistryConformational isomerismIsomerizationta116Glyoxylic acidThe journal of physical chemistry. A
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Riflessioni sulla gerarchia militare

2020

The principle of hierarchy represents for the Armed Forces the organizational formula that guarantees the compactness of management and command through unity of action. In this sense, the hierarchy has always been considered an interpersonal institutional relationship model, inherent in the discipline, essential for the performance of institutional tasks. The hierarchy, in fact, constitutes the backbone of the Armed Forces, as a paradigmatic structure of authority, which conditions the entire life of the organization and reverberates in the context of the inter-individual relations of the military within the system. The paper intends to analyze the profiles characterizing the military hiera…

Armed ForceHierarchyorganisation
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La dimensione giuridica dell'etica militare

2020

Unlike what happens for the civil administration, in which it conforms exclusively from a reputational perspective, the legal dimension of military ethics has a profile of characterization related, not only to the functions attributed to the Armed Forces, but, more precisely, to the role that they have in the constitutional structure. Military ethics has, in fact, an external declination, based on the neutrality of the military instrument with respect to political dynamics as an institution of guarantee and defense of republican institutions; and an internal, intimate interpretation connected to the organization as a factor of cohesion and functionality of the same in the framework designed…

Armed forces military ethics military administration
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La questione dell’autorizzazione ministeriale per le associazioni sindacali dei militari

2021

In according of CEDU in Italy trade union freedom is a right also recognized to members of the Armed Forces, but subject to limitations due to the functional aspect of the tasks institutional attributed. The peculiarity of the military organization reverberates in working relationships e gives trade union activity a special characterization with respect to the framework of trade union rights common. From the point of view of the specialty, the question of the preventive ministerial scrutiny of the legitimacy to carry out this activity which, according to the Council of State, stands out for a high degree of discretion. This statement leads us to believe that the establishment of an associat…

Armed forces personnel trade unionsSettore IUS/10 - Diritto Amministrativo
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Energy Barrier: Focus on the Essential: Extracting the Decisive Energy Barrier of a Complex Process (Adv. Mater. Interfaces 20/2019)

2019

Arrhenius equationFocus (computing)symbols.namesakeMaterials scienceMechanics of MaterialsAtomic force microscopyMechanical EngineeringScientific methodsymbolsEngineering physicsEnergy (signal processing)Advanced Materials Interfaces
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Sull’esecuzione delle sentenze tributarie nei confronti dell’Agenzia delle dogane

2019

Article 69 of Legislative Decree 546/92, in the current version, incorporates the principle of immediate enforceability of all judicial tax decisions, including those favorable to taxpayers. However, the Customs Agency, following a wrong interpretation of article 68, paragraph 3 bis, of Legislative Decree 546/92 and of the European regulations referred to therein, considers the above mentioned principle unapplicable with regards to non-definitive decisions concerning the European Union's own resources. A systematic interpretation of the rules leads to the conclusion that even these decisions are immediately enforceable.

Article 69 of Legislative Decree 546/92 enforceability of all judicial tax decisions Customs AgencySettore IUS/12 - Diritto Tributario
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