1,720,954 research outputs found
Crystal structure, DFT-guided design, and selective antibacterial activity of a calcium-based hybrid for spray coating applications
No full textWe report the synthesis and comprehensive characterization of a calcium-based organic-inorganic hybrid material derived from ethylenediaminetetraacetic acid (EDTA), a polyaminocarboxylate ligand, specifically designed to harness weak coordination interactions for antimicrobial and surface coating applications. Structural and spectroscopic analyses including single-crystal X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), and thermal studies, including Differential Scanning Calorimetry (DSC) revealed a supramolecular framework stabilized by extended weak contacts between calcium and ethylenediaminetetraacetic acid (EDTA) moieties. Hirshfeld surface analysis confirmed the prevalence of non-covalent interactions such as hydrogen bonding and electrostatic forces, while density functional theory (DFT) calculations provided detailed insights into the electronic structure, orbital distribution, and charge localization. coccus haemolyticus (Gram-positive) than Escherichia coli (Gram-negative), a behavior attributed to calciummediated interactions with bacterial membranes. Upon deposition via physical spray coating onto glass substrates, the hybrid retained its supramolecular integrity and bioactivity, while exhibiting favorable surface wettability and adhesion characteristics. These findings highlight the strategic potential of EDTA-derived calcium hybrids in tuning physicochemical and biological functionalities through weak coordination chemistry. This integrated experimental-computational approach offers a versatile platform for the development of next-generation antimicrobial coatings applicable to biomedical surfaces and protective industrial materials
Synthesis, crystal structure study, thermal, Hirshfeld surface, optical and photoluminescence properties of new organic-inorganic hybrid material: (C6H5CH2N(C2H5)3)[Cd3Cl7]
No full textThis work describes a new two-dimensional chlorocadmate (II) compound formulated us (C6H5CH2N(C2H5)3) [Cd3Cl7] has been synthesized by slow evaporation method at room temperature and characterized by single-crystal X-ray diffraction. Structural analysis reveals that this compound crystallizes in the triclinic system with centrosymetric P -1 space group. The molecular arrangement of the crystal displays a two-dimensional (2D) structure which consist in one (C6H5CH2N(C2H5)3)+cation and one anionic layers [Cd3Cl7]-. The various components are interconnected through non-classical C-H...Cl hydrogen bonds, Coulombic attractions, and van der Waals interactions, which collectively secure the unity and stability of the crystal arrangement. This interaction ensemble contributes to the formation of a three-dimensional (3D) supramolecular network. The examination of the crystal structure provides a new interesting example of covalent polymeric layers of [Cd3Cl7]n. The intermolecular interactions were identified using Hirshfeld surfaces as well 2D-fingerprint plots. Furthermore, Infrared (IR) spectrum was analyzed, confirming the presence of the organic cation. Thermogravimetric analysis (TGA) reveals that the studied compound remains stable up to 266 degrees C. DSC thermogram shows that it undergoes two endothermic anomalies around 79.6 degrees C and 139 degrees C. Diffuse reflectance spectra (DRS) method was used to study the optical properties and shows that there is a strong absorption in the UV region for Cd hybrid. Kubelka-Munk equation has been used to calculate the band gap energy indicating that the material is a direct type (4.25 eV). Photoluminescence spectroscopy (PL) proves that the title material was well structured
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Variations on the Author
Full text link“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
Appropriate Similarity Measures for Author Cocitation Analysis
Full text linkWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
Dispelling the Myths Behind First-author Citation Counts
Full text linkWe conducted a full-scale evaluative citation analysis study of scholars in the XML research field to explore just how different from each other author rankings resulting from different citation counting methods actually are, and to demonstrate the capability of emerging data and tools on the Web in supporting more realistic citation counting methods. Our results contest some common arguments for the continued
use of first-author citation counts in the evaluation of scholars, such as high correlations between author rankings by first-author citation counts and other citation
counting methods, and high costs of using more realistic citation counting methods that are not well-supported by the ISI databases. It is argued that increasingly available digital full text research papers make it possible for citation analysis studies to go beyond what the ISI databases have directly supported and to employ more
sophisticated methods
koamabayili/VECTRON-author-checklist: VECTRON author checklist
No full textWe have done our best to complete the author checklist relating to the use of animals in the hut study. Note that the objective for the hut study was to evaluate the IRS treatment applications for residual efficacy against Anopheles mosquitoes, including the local An. coluzzii mosquito population. Cows were only used to attract mosquitoes into the huts and no tests were carried out directly on the cows. The author checklist is intended for use with studies where experiments are carried out on animals, which is why we have had such difficulty in completing this for the hut study, as many of the questions do not relate to how the cows were used
Author-wise bibliometric analysis based on entropy.
No full textAuthor-wise bibliometric analysis based on entropy.</p
- …
