1,721,166 research outputs found
Mandatory CSR expenditure and stock market liquidity
Full text linkWe investigate the nexus between corporate social responsibility (CSR) and firms' stock market liquidity. Using actual firm-level CSR expenditure data and a quasi-natural experiment setup of a mandated CSR regulation in India, we find that firms complying with the mandate experience significantly higher stock market liquidity, relative to non-CSR firms in the post-CSR mandate period. This effect seems to be more pronounced among CSR firms not affiliated to business groups, with concentrated promoter ownership, with low institutional ownership, with foreign sales and having operations in multiple locations. Further, we find that firms spending more on education and healthcare projects as part of their mandatory CSR engagement have higher stock market liquidity. Our results are in line with the conjecture that mandatory CSR regulation could lead to reduced information asymmetry and improved social and reputational capital, and thus improve the stock market liquidity of CSR firms. Finally, we show that mandated CSR firms, having superior stock market liquidity, obtain higher market valuations in the long run
Synthesis, characterization and DFT calculations of N,O Schiff base complex of copper(II)
No full textMononuclear copper(II) complex of the Schiff base, 2-methoxy-6-(3-morpholinopropyl-iminomethyl) phenol,
[Cu(HL) 2 ](ClO 4 ) 2 ].H 2 O (1) has been synthesized and characterized by elemental analysis and different spectroscopic techniques. The structure of (1) is confirmed by single crystal X-ray diffraction analysis. The complex (1) crystallizes in the monoclinic space group P21/n. The crystal structure of the mononuclear complex
exhibits two Schiff base ligands bound to the copper atom and two perchlorate ions as non-coordinating species. Both the ligands in (1) are zwitterions where nitrogen atom of the morpholine ring is protonated. Fluorescence spectral study shows that HL displays an emission band at 535 nm on excitation at 418 nm. The
presence of Cu 2+ ion in complex (1) quenches its emission intensity. DFT and TDDFT calculations have been carried out to investigate the spectral transitions
Density Functional Theory Analysis of Host–Guest Interactions in Cu(II)-Based Metal–Organic Frameworks for Pesticide Detection
No full textA metal organic framework (MOF) (1), having the formula [Cu(4,4'-bipy)(sa)](n) (where 4,4'-bipy is 4,4'-bipyridine and sa is succinate dianion), has been synthesized under ambient conditions and characterized by single-crystal X-ray diffraction analysis. The surface of the MOF mimics a 2D honeycomb structure. The uncoordinated oxygen of succinate dianion has been explored for its interaction with toxic pesticides by theoretical density functional theory analysis, and it reveals the selective identification of atrazine- and dicofol-like pesticides. The rational design of Cu2+ MOFs with aliphatic acid is the key factor toward the identification of pesticides, as the same MOF background with Cd2+ does not show any significant interaction
Nitroaromatic explosives detection by a luminescent Cd(II) based metal organic framework
Full text linkA Cd(II) based coordination polymer, [Cd(3-bpd)(N(CN) 2 ) 2 ] n (1), where 3-bpd is 1,4-bis(3-pyridyl)-2,
3-diaza-1,3-butadiene, has been synthesized and characterized by standard methods including single
crystal X-ray diffraction technique. Singly crystal X-ray diffraction analysis shows that it is a 3-dimensional metallo-organic framework. 1 exhibits strong emission intensity in dispersed acetonitrile at 430 nm when it is excited at 340 nm. Among different explosive and pollutant nitroaromatic compounds (epNACs), trinitrophenol (TNP) is able to quench emission intensity of 1 drastically making 1 as the turn-off chemosensor for TNP. Other epNACs, e.g. 2,4,6-trinitrotoluene (TNT), 2,6-dinitro toluene (2,6-DNT), nitrobenzene (NB), 1,3-dinitro benzene (1,3-DNB), 3,4-dinitrotoluene (3,4-DNT) and 4-nitrobenzoic acid (4-NBA) cannot quench the emission intensity of 1 significantly. The quenching constant value of 1 for TNP has been determined to be 7.16 x 10 4 M -1. Limit of detection of the complex towards TNP is 6 x 10 -5 M. Resonance energy transfer (RET) is involved in the transfer of energy from the electronically excited donor, 1 to the acceptor, TNP thereby quenching the emission intensity. Some theoretical calculations have been performed to support the electronic transitions and the proposed mechanism
QSAR model reproducibility and applicability: a case study of rate constants of hydroxy radical reaction models applied to Polybrominated Diphenyl Ethers and (Benzo-)Triazoles
No full textThe crucial importance of the three central OECD principles for quantitative structure-activity relationship
(QSAR) model validation is highlighted in a case study of tropospheric degradation of volatile organic compounds
(VOCs) by OH, applied to two CADASTER chemical classes (PBDEs and (benzo-)triazoles). The application of any
QSAR model to chemicals without experimental data largely depends on model reproducibility by the user. The reproducibility
of an unambiguous algorithm (OECD Principle 2) is guaranteed by redeveloping MLR models based on both
updated version of DRAGON software for molecular descriptors calculation and some freely available online descriptors.
The Genetic Algorithm has confirmed its ability to always select the most informative descriptors independently
on the input pool of variables. The ability of the GA-selected descriptors to model chemicals not used in model development
is verified by three different splittings (random by response, K-ANN and K-means clustering), thus ensuring the
external predictivity of the new models, independently of the training/prediction set composition (OECD Principle 4).
The relevance of checking the structural applicability domain (OECD Principle 3) becomes very evident on comparing
the predictions for CADASTER chemicals, using the new models proposed herein, with those obtained by EPI Suite
Mandatory corporate social responsibility and foreign institutional investor preferences
Full text linkThis study examines whether the heterogeneity among foreign institutional investors (FIIs) matters when investing in socially responsible investee firms. Exploiting a mandated corporate social responsibility (CSR) regulation in India and using manually collected CSR expenditure data, the results of a quasi-natural experiment confirm that firms that comply with the CSR mandate attract greater investment from FIIs. This positive nexus holds for both existing and new FIIs. However, the heterogeneity of FIIs plays a significant moderating role because FIIs from civil law origin countries and those considered to be independent and long-term investors invest more in mandated CSR firms
Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation
No full textThree new copper(ii) complexes with different Schiff-base ligands, namely, [Cu(L1)Cl2] (1), [Cu3(L2)2Cl4] (2) and [Cu(L3)N3]n (3) where L1 = 2-morpholino-N-(pyridin-2-ylmethylene)ethanamine, HL2 = 4-bromo-2-((2-morpholinoethylimino)methyl)phenol and HL3 = 4-chloro-2-((2-(dimethylamino)ethylimino)methyl)phenol, have been synthesized and characterized by elemental analysis, standard spectroscopic methods, cyclic voltammometry and single crystal X-ray diffraction analysis. The X-ray diffraction analysis confirms the formation of mononuclear (1), trinuclear (2) and polynuclear (3) complexes. These complexes have been applied as catalysts for alcohol oxidation reactions using tert-butyl hydroperoxide (TBHP) as the terminal oxidant under mild conditions. The catalytic reaction mixture has been analyzed by gas chromatography and it shows that the mononuclear complex has the highest conversion while the other two complexes exhibit moderate catalytic activities. The corresponding aldehyde has been obtained as the sole product. The obtained catalysis results have been corroborated with electrochemical studies
A Cd(ii) based metal organic framework: a photosensitive current conductor
No full textA novel cadmium( II ) based metal organic framework, [Cd(3-bpd)(SCN) 2 ] n (1) where 3-bpd = 1,4-bis(3-pyridyl)-2,3-diaza-1,3-butadiene has been synthesized and characterized by elemental analysis, various spectroscopic techniques, TGA and single crystal X-ray diffraction analysis. X-ray analysis shows the formation of an undulated polymeric two-dimensional network parallel to the (0 −1 1) plane. Current conduction properties of 1 have been explored in the dark and in the presence of light. The study shows that current conduction of the complex increases with the increase of the incident light intensity. On progression of intensity of glancing radiation the photosensitivity of 1 has been increased. The time dependent light response on charge carrier conduction reveals that complex 1 may uncover new ground to explore in optoelectronic switching applications
A turn-on fluorescent chemosensor for Zn2+ ion: X-ray structure and application in cell imaging study
No full textThe selective fluorescence zinc(II) sensing properties of a Schiff-base compound, 2-methoxy-6-(2-morpholinoethyliminomethyl)phenol (HL) have been explored. The emission intensity of HL in the presence of one equivalent of Zn2+ ion increases by about 25 times. Several other metal ions, except Cd2+ and Ni2+, have not been able to increase the emission intensity of HL significantly. The quantum yield and life-time of HL have also been increased in the presence of Zn2+ ions. The enhancement in fluorescence intensity of HL is mainly due to the restriction of ESIPT, CHEF and PET on complex formation. HL forms a complex with Zn2+ in 1:1 ratio as evidenced by Job's plot analysis and X-ray single crystal structure determination. Some theoretical calculations have been performed to get a better view on the nature of the observed electronic transitions. The probe has been applied for imaging of DLD-1, human colorectal adenocarcinoma cell
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