1,723,845 research outputs found
Replication Data for: Benchmarking density functional methods for harmonic vibrational frequencies. IN REVIEW
No full textThe files contains data for reproducing all the results in the article "Benchmarking density functional methods for harmonic vibrational frequencies" (IN REVIEW). The file frequency_data_for_statistical_analysis.xlsx is an excel file containing 11 differently named worksheets. Each worksheet contains the name of the XC functionals used. All the quantities are calculated using the standard mathematical formula of EXCEL. The distribution_of_signed_error_plot.pdf is a pdf file containing the distribution of signed error obtained for each molecule using 17 different XC functionals. The distribution plots are obtained using the distribution formula given in the upcoming article. All the plots have been created using GNUPLOT software. The text files are tab delimited text files obtained from the excel worksheets
Model-based estimation and comparison of enteric methane emissions to assess model outcomes in South Asian cattle using feeding trial data
No full textSouth Asia hosts over 270 million cattle raised under diverse low-input production systems, yet enteric methane (EntCH4) emissions in the region are often estimated using models developed for temperate, high-productivity systems. This study compared eight commonly used enteric methane prediction models - five based on dry matter intake (IPCCDMI, RibeiroDMI, PatraDMI, 1AlamDMI, 2AlamDMI) and three based on gross energy intake (IPCCGEI, RibeiroGEI, PatraGEI) - using standardized feeding trial data from India, Pakistan, and Bangladesh. Data were extracted from 91 published feeding trials covering 1,684 cattle of different breeds, physiological states, and yield levels. IPCC models overestimating emissions by approximately 7–28% compared with the Alam models across different factors for example countries, breed, and lactating status. Significant variation was observed across countries, with Pakistani cattle showing the highest predicted emissions compared to India and Bangladesh), driven by greater body weight and feed intake. Breed-wise comparisons revealed consistently higher emissions from Holstein Friesians than indigenous and Sahiwal cattle. The IPCC models consistently overestimated methane compared with tropical-calibrated models. GEI-based models showed less variation than DMI-based models. Overall, the study highlights large discrepancies among models and demonstrates the importance of using region-specific or tropical-calibrated equations for robust EntCH4 estimation in South Asian cattle. These findings provide an evidence base for improving national greenhouse gas inventories and methane mitigation planning in tropical livestock systems
Corporate Social Responsibility - Initiatives by Bangladeshi Firms: Content, Implementation Strategies, & Impact on Sustainable Social Development
Full text linkScopo – Il termine Responsabilità Sociale d'Impresa (CSR) descrive le misure che un'azienda può intraprendere per ridurre al minimo gli effetti negativi delle proprie attività sulla società e sull'ambiente.
Senza dubbio, affinché un'azienda sia sostenibile, gli effetti delle sue attività sulla società e sull'ambiente devono essere considerati con la dovuta diligenza. Gli obiettivi principali di questo studio sono fornire un quadro generalmente accettato ed esaminare la relazione diretta tra la CSR e le sue dimensioni e lo sviluppo sostenibile (SD) nel contesto delle imprese del Bangladesh.
Progettazione/metodologia/approccio – Questo studio valuta l’impatto di Employee Concern (EC) e Good Governance (GG) sulla connessione tra le dimensioni della CSR e lo sviluppo sostenibile nel contesto del Bangladesh creando un quadro concettuale. Di conseguenza, nei dati primari e secondari sono state incluse 64 società di tre settori quotati alla DSE (Dhaka Stock Exchange). Per testare le ipotesi e valutare
sistematicamente i dati ottenuti è stata utilizzata la modellazione di equazioni strutturali utilizzando i software SmartPLS4 e ATLAS.ti.
Risultati – Lo studio mostra che mentre GG e EC sono significativamente correlati con lo SD, l’associazione tra le dimensioni della CSR e lo SD non è stata mediata da nessuna di queste variabili. Inoltre,
le aziende di questi settori selezionati danno priorità all’impatto della dimensione della creazione di valore sullo sviluppo sostenibile rispetto alle altre dimensioni della CSR.
Originalità/valore – Importanti risultati di questa ricerca si aggiungono alla conoscenza della responsabilità sociale delle imprese concettualmente e praticamente. Per quanto a conoscenza del ricercatore, nessuno studio precedente ha esaminato i ruoli di mediazione di GG e CE nella relazione tra le dimensioni della CSR e lo sviluppo sostenibile utilizzando una metodologia di metodi misti. Affrontando le questioni su come le imprese vedono le dimensioni della RSI e su come queste dimensioni influiscono sullo sviluppo sostenibile, questo studio contribuisce al corpus di conoscenze sulla RSI nei paesi in via di sviluppo.Purpose – The term Corporate Social Responsibility (CSR) describes the steps a business can take to minimize its operations' negative effects on society and the environment. Without a doubt, for a company to be sustainable, its operations' effects on society and the environment must be considered with due diligence. The main goals of this study are to provide a generally accepted framework and examine the direct relationship between CSR and its dimensions and sustainable development (SD) in the context of Bangladeshi firms.
Design/methodology/approach – This study assesses the impact of Employee Concern (EC) and Good Governance (GG) on the connection between CSR dimensions and SD in the context of Bangladesh by creating a conceptual framework. As a result, 64 companies from three listed industries on the DSE (Dhaka Stock Exchange) were included in the primary and secondary data. Structural equation modeling using the SmartPLS4 and ATLAS.ti software was utilized to test hypotheses and systematically evaluate the data obtained.
Findings – The study shows that while GG and CC significantly correlate with SD, the association between CSR dimensions and SD was not mediated by any of these variables. Additionally, firms in those selected industries prioritize the impact of the Value Creation dimension on SD over the other dimensions of CSR.
Originality/value – Important findings from this research add to the knowledge of corporate social responsibility conceptually and practically. To the best of the researcher's knowledge, no previous study has looked at the mediating roles of GG and EC in the relationship between CSR dimensions and SD using a mixed-methods methodology. By addressing the questions of how firms view CSR dimensions and how these dimensions affect SD, this study contributes to the body of knowledge on CSR in developing countries.
Key Words: CSR, Good Governance, Employee Concern, Sustainable Developmen
Paharpur
No full text<p>This chapter represents the key aspects on Somapura Mahavihara of Bangladesh, a renowned Buddhist monastery from the early medieval (c. 7th -13th centuries CE) as a summarized form. The site of Somapura Mahavihara, one of the two world heritage sites in Bangladesh, is popularly known as Paharpur. In addition to the normative and descriptive narraratives on the excavated and preserved architectural remains of Paharpur, this paper emphasizes rethinking of the foundational conceptual assumptions on the basis of which Buddhism and Buddhist monasticism in South Asia, especially in the eastern part of the Indian sub-continent is articulated in dominant discourses. It focuses of the landscape context and archaeological understanding of the mahavihara and points out the importance of engaging with the transformation of 'site' and calls for understanding the mahavihara as related to the contemporary settlements and agrarian expansion in the region. Situated on a dynamic flood plain characterized by the history of the changes oi rivers and flood, the paper also suggests that the monastic community was not necessarily mediating Buddhist monks engages in learning and ritualistic practices in isolation from the contemporary social and economic processes. Evidence of flood and damages by both anthropogenic actors and landscape changes have been detected both vertically and horizontally. Presently visible architectural remains were constructed upon habitations and architectural remains of earlier periods and the transformation and stratigraphic sequence indicate that the monastic establishment was neither a new construction not was it completely abandoned after 13th-14th century CE. </p>
Interplay of Twist Angle and Solvents With Two-Photon Optical Channel Interference in Aryl-Substituted BODIPY Dyes
No full textSupporting information for "Interplay of Twist Angle and Solvents With
Two-Photon Optical Channel Interference in
Aryl-Substituted BODIPY Dyes
Expression and transmission of transgenes in tilapia (Oreochromis niloticus)
No full textSIGLEAvailable from British Library Document Supply Centre-DSC:DX190413 / BLDSC - British Library Document Supply CentreGBUnited Kingdo
Synthesis and characterization of novel ligands and application of their transition metal complexes as catalysts or anticancer agents
Full text linkIn this Thesis work, we report an innovative approach for the synthesis of 2-bromoacrylic acid and its ester derivatives that are the key intermediates in the synthesis of chiral aryloxypropionic acid an important class of herbicides. The synthesis of the bromo substitued acrylics was carried out via carbonylation of (trimethylsilyl)acetylene using as catalytic system Pd(OCOCH3)2 in combination with CH3SO3H and 2-(6-methyl)(diphenylphosphine)pyridine. When the reaction is carried out in methanol, methyl 2-(trimethylsilyl)acrylate was obtained in good yields with a branched/linear ratio 95/5. On the other hand, hydroxycarbonylation reactions give 2-(trimethylsilyl)acrylic acid with lower conversions and selectivities (ca. 53%, and 93/7 respectively). The effects of phosphine/palladium, acid/palladium, reaction time, temperature, and CO pressure on the substrate conversion and selectivity towards branched isomer have been investigated. Methyl 2,3-dibromo-2-(trimethylsilyl)propanoate is easily prepared by reaction of methyl 2-(trimethylsilyl)acrylate with bromine in dry dichloromethane. Then bromodesylilation of 2-(trimethylsilyl)acrylate in the presence of an excess of base gives 2-bromoacrylic acid in good yield (ca. 90%).
A series of triazole ligands were synthesized by the CuAAC reaction. They were employed as chelating ligands to prepare Ru(II), Pd(II), and Co(II) complexes. Ligands and metal complexes have been characterized by analytical data, ESI-MS and 1H and 13C NMR spectroscopy.
The water soluble sodium 2-(1-((pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)ethyl sulfate ligand
has been employed as ligand in biphasic water/organic solvent catalysis. A preformed ruthenium complex and an iridium system containing this water soluble pyridyl-triazolyl ligand were successfully employed in water/toluene biphasic catalytic hydrogenation of C=C and C=O double bonds. The hydrogenation of styrene, 2-cyclohexene-1-one, m-diisopropenylbenzene, and cinnamaldehyde has been investigated. The water soluble 2-(1-(2-(methylthio)ethyl)-1H-1,2,3-triazol-4-yl)ethanol ligand in combination with [RhCl(COD)]2 gives a system displaying good activity in olefin hydroformylation.
The above water soluble [RuCl(η6-p-cymene)(sulphated ligand)] complex has been tested in vitro against several human cancer cell lines (A375, A431, BxPC3, A549 and HCT-15.) derived from solid tumors by the MTT test. Preliminary results indicate that the ruthenium complex is less cytotoxic than cisplatin but has a potential as antimetastatic agent
A generalized few-state model for the first hyperpolarizability
Full text linkThe properties of molecules depend on their chemical structure, and thus, structure–property relations help design molecules with desired properties. Few-state models are often used to interpret experimental observations of non-linear optical properties. Not only the magnitude but also the relative orientation of the transition dipole moment vectors is needed for few-state models of the non-linear optical properties. The effect of the relative orientation of the transition dipole moment vectors is called dipole alignment, and this effect has previously been studied for multiphoton absorption properties. However, so far, no such studies are reported for the first hyperpolarizability. Here, we present a generalized few-state model for the static and dynamic first hyperpolarizability β, accounting for the effect of dipole alignment. The formulas derived in this work are general in the sense that they can be used for any few-state model, i.e., a two-state model, a three-state model, or, in general, an n-state model. Based on the formulas, we formulate minimization and maximization criteria for the alignment of transition dipole moment vectors. We demonstrate the importance of dipole alignment by applying the formulas to the static first hyperpolarizability of ortho-, meta-, and para-nitroaniline. The formulas and the analysis provide new ways to understand the structure–property relationship for β and can hence be used to fine-tune the magnitude of β in a molecule
Calcium and redox dependent conformational change is necessary for the catalytic activity of Formylglycine-Generating Enzyme (FGE): Insights into the mechanism of formylglycine generation
No full textCalcium and redox dependent conformational change is necessary for the catalytic activity of Formylglycine-Generating Enzyme (FGE): Insights into the mechanism of formylglycine generation
No full text- …
