Showing papers in "Journal of Molecular Structure in 2021"

TL;DR: In this article, an attempt has been made to bring the relevant detailed literature available with regard to effective and efficient method and mechanism of degradation of azo-dyes in order to benefit the researchers of both from academia and industry.

TL;DR: Olmutinib (HM61713, OMT), a novel third-generation tyrosine kinase inhibitor with good orally absorption, is able to inhibit selectively epidermal growth factor receptor mutations and can provide valuable reference for designing new anti-tumor drugs.

TL;DR: In this article, a magnetic-activated carbon composite was synthesized to investigate its adsorption to methylene blue dye, and the results revealed that the adorption process is spontaneous and endothermic.

TL;DR: In this article, a novel bioactive series was synthesized from Zn(II), Pd(II, Cr(III) and VO(II) ions with a new Schiff base derivative (HNP) [HNP = 1-(Pyrimidin-2-yliminomethyl)-naphthalen-2 -ol].

TL;DR: In this article, a correlation between some of the molecular structural aspects of corrosion inhibitors with inhibitor performance was found, such as the presence of electronegative heteroatoms, size of the aromatic ring, hydrocarbon chain length, presence of double bond, π-conjugation, and electron-donating/ withdrawing substituent groups.

TL;DR: In this article, a (E)-N'-4methoxybenzylidene-5-methyl-1H-pyrazole-3-carbohydrazide (E-MBPC) was synthesized and characterized by FT-IR, 1H & 13C NMR and ESI-MS spectroscopic methods.

TL;DR: In this paper, three mononuclear metal complexes of the type ML, (M = Ni, Cu and Zn), with salen type tetradentate (ONNO) Schiff base, N,N′-bis(3,5-dibromosalicylidene)-1,3-diaminopropane (H2L), have been prepared and characterized using FT-IR, 1H NMR and elemental (CHN) analyses.

TL;DR: Desacetylgedunin (DCG) found in Neem seed showed the highest binding affinity towards PLpro, and it is believed that the significant effect of DCG on PLpro may help in therapeutic efforts against SARS-CoV-2.

TL;DR: In this article, a series of copper-II complexes with bis-N,O-bidentate Schiff base ligands were synthesized and characterized by elemental analyses, FT-IR, 1H NMR and 13C NMR spectroscopic techniques.

TL;DR: In this article, two tri-and tetra-nuclear Ni(II)-based complexes, [NiL(EtOH)(μ-OAc)2Ni]·4Et OH (1) and [Ni4L2(μ3-OMe)4(MeOH)4] (2), supported by a more flexible salamo-type ligand H2L containing coumarin functional groups have been synthesized.

TL;DR: This work aims to provide an overview of the extraction methods, characterization techniques, and potential analysis with a focus on aquaculture and fisheries sources, through a compilation of scientific information that can be useful to guide aquatic biotechnology professionals.

TL;DR: In this paper, two novel structurally characterized Co(II) metal-organic framework (Co(2) MOF) and Cd(2)-coordination polymer (Cd2-CP) were self-assembled from a newly designed salamo-like ligand H2L bearing double terminal pyridine groups.

TL;DR: In this paper, a series of mononuclear Ni, Cu and Zn(II) complexes with ONNO donor salen-type Schiff base ligands, derived from different 3,5-dihalosalicylaldehyde with polymethylenediamines of varying chain length, have been prepared.

TL;DR: In this paper, structural and spectral characterizations of transition metal ions doped with ZnS-CdS composite nanopowders are performed using optical and EPR spectra.

TL;DR: In this article, the authors presented an easy and simple green route method for the biosynthesis of ZnO nanoparticles, which were synthesized using Justicia spicigera extract, in different concentrations (1, 2, 4 and 8% in weight volume).

TL;DR: This approach set a stage for fragment exploration and QSAR based screening of active molecules against putative SARS-CoV-2 Mpro enzyme, and believes the future in vitro and in vivo studies would provide more perspectives for anti-SARS- CoV- 2 agents.

TL;DR: In this paper, pyrene unit (fused aromatic rings) and contribution of hydroxyl or nitro functional groups in the Schiff base skeleton might make these molecules work as efficient corrosion inhibitors.

TL;DR: In this article, the maximum inhibition efficiency of 3a,6a−bistolylthioglycoluril (BSTGCU) was reported to be over 96% at 100mg/L in a 1M HCl medium.

TL;DR: In this paper, focused thiopropargylated benzothiazole was reacted with ethyl azidoacetate and/or ethyl Azidobenzoate to yield newer 1,2,3-triazole-benzothiazoles conjugates bearing ester functionality through click chemistry approach.

TL;DR: In this article, a polymeric blend based on chitosan (CS)/poly(vinyl alcohol) (PVA) containing different concentrations of selenium nanoparticles (SeNPs) were fabricated via casting technique.

TL;DR: In vitro and in vivo anticancer activities of these compounds will be evaluated in future.

TL;DR: In this paper, the Schiff base binuclear Zn(II) complexes, [Zn2(L)2∙(H2O)2]∙2DMF (1) and its coordination polymer [H2L]n (2) were synthesized under the same experimental condition without or with the auxiliary ligand 4,4′-bpy, respectively.

TL;DR: The above results suggest that both ligands and their metal complexes have the potential to be explored as active pharmaceutical agents, especially all zinc (II) complexes.

TL;DR: Carbon nanotubes (CNTs) have drawn great attention due to the rich science underpinning their applications coupled with a unique combination of properties like large aspect ratios, superior thermal and electrical conductivity, excellent optical characteristics and high surface area as mentioned in this paper.

TL;DR: In this article, the treatment of Mn(II) Cu(II), and Fe(III) metal ions with 1-(Benzhydrylidene-hydrazonomethyl)-naphthalen-2-ol (aryl hydrazone DHPN) ligand, producing three new solid complexes with substantial yields.

TL;DR: In this paper, a ZnO/PVA nanocomposite was synthesized by pulsed laser ablation of zinc dust target immersed in the PVA solution carried out by Nd:YAG laser.

TL;DR: The in silico docking and ADME studies are performed to investigate whether MBSP is a potential therapeutic for COVID-19 and revealed that the compound is thermostable up to its melting point.

TL;DR: In this paper, a detailed review describes the basics DFT, MD and MC simulations and detailed description about the correlation of these parameters with the corrosion inhibition ability of organic compounds is given.

TL;DR: In this paper, 1-Benzyl-4-(N-Boc-amino)piperidine was characterized by spectroscopic investigations employing FT-IR, FT-Raman, UV-Vis and NMR (13C, 1H) techniques.

TL;DR: In this paper, two thiazole-based complexes were prepared from Co(II) and Cu(II)-I ions, and the new ligand and its complexes were fully characterized by analytical and spectral techniques, which showed that the ligand behaved as a neutral tridentate in its keto-form towards the metals via O(8, O(10) and O(18) atoms.