Large expert-curated database for benchmarking document similarity detection in biomedical literature search

Document recommendation systems for locating relevant literature have mostly relied on methods developed a decade ago. This is largely due to the lack of a large offline gold-standard benchmark of relevant documents that cover a variety of research fields such that newly developed literature search techniques can be compared, improved and translated into practice. To overcome this bottleneck, we have established the RElevant LIterature SearcH consortium consisting of more than 1500 scientists from 84 countries, who have collectively annotated the relevance of over 180 000 PubMed-listed articles with regard to their respective seed (input) article/s. The majority of annotations were contributed by highly experienced, original authors of the seed articles. The collected data cover 76% of all unique PubMed Medical Subject Headings descriptors. No systematic biases were observed across different experience levels, research fields or time spent on annotations. More importantly, annotations of the same document pairs contributed by different scientists were highly concordant. We further show that the three representative baseline methods used to generate recommended articles for evaluation (Okapi Best Matching 25, Term Frequency-Inverse Document Frequency and PubMed Related Articles) had similar overall performances. Additionally, we found that these methods each tend to produce distinct collections of recommended articles, suggesting that a hybrid method may be required to completely capture all relevant articles. The established database server located at https://relishdb.ict.griffith.edu.au is freely available for the downloading of annotation data and the blind testing of new methods. We expect that this benchmark will be useful for stimulating the development of new powerful techniques for title and title/abstract-based search engines for relevant articles in biomedical research.Peer reviewe

Palladium Nanoparticles Grafted onto Phytochemical Functionalized Biochar: A Sustainable Nanozyme for Colorimetric Sensing of Glucose and Glutathione

The devising and development of numerous enzyme mimics, particularly nanoparticles and nanomaterials (nanozymes), have been sparked by the inherent limitations imposed by natural enzymes. Peroxidase is one of the enzymes that is extensively utilized in commercial, medical, and biological applications because of its outstanding substrate selectivity. Herein, we present palladium nanoparticles grafted on Artocarpus heterophyllus (jackfruit) seed-derived biochar (BC-AHE@Pd) as a novel nanozyme to imitate peroxidase activity en route to the rapid and colorimetric detection of H2O2, exploiting o-phenylenediamine as a peroxidase substrate. The biogenically generated BC-AHE@Pd nanocatalyst was synthesized utilizing Artocarpus heterophyllus seed extract as the reducing agent for nanoparticle formation, while the residue became the source for biochar. Various analytical techniques like FT-IR, GC-MS, FE-SEM, EDS, TEM, SAED pattern, p-XRD, and ICP-OES, were used to characterize the BC-AHE@Pd nanocatalyst. The intrinsic peroxidase-like activity of the BC-AHE@Pd nanocatalyst was extended as a prospective nanosensor for the estimation of the biomolecules glucose and glutathione. Moreover, the BC-AHE@Pd nanocatalyst showed recyclability up to three recycles without any significant loss in activity

Olefin poly/oligomerizations by metal precatalysts bearing non–heterocyclic N–donor ligands

none4sinoneBudagumpi, Srinivasa; Keri, Rangappa S.; Biffis, Andrea; Patil, Siddappa A.Budagumpi, Srinivasa; Keri, Rangappa S.; Biffis, Andrea; Patil, Siddappa A

Transition metal complexes of a tridentate ligand bearing two pendant pyridine bases: The X-ray crystal structure of pentacoordinate copper(II) complex

The synthesis of a tridentate ligand,N,N'-bis(2-pyridinyl)-2,6-pyridinedicarboxamide [H2L] is described together with its manganese(II), cobalt(II), nickel(II), copper(II),zinc(II) and cadmium(II) complexes which were characterized based on elemental analysis, conductivity measurements, spectral, magnetic and thermal studies. The IR spectral studies of all the complexes exhibit a similar feature about the ligating nature of the ligand to the metalions and revealed that the ligand has coordinated through the nitrogens of the deprotonated amides and the central pyridine. The two pendant pyridine nitrogens in all the complexes are protonated and involved in hydrogen bonding with the oxygens of amide groups. This observation is confirmed by the single-crystal X-ray crystallographic studies of copper(H) complex. The geometry around the copper atom can be viewed as a distorted trigonal bipyramid with \tau = 0.74 [structural parameter,\tau = (\beta - \alpha)/60; where \alpha and \beta are the two basal angles in a five coordinate complex]. The electro chemical study of the copper(II) complex shows single quasi-reversible redox peak [Cu(II) <->Cu(l)]. The EPR spectrum of copper(H) complex exhibits rhombic pattern $[g_{1} = 2.0276, g_{2} = 2.0926 and g_{3} = 2.18]$

Synthesis and spectral studies of Cu(II), Ni(II), Co(II), Mn(II), Zn(II) and Cd(II) complexes of a new macroacyclic ligand N,N’-bis(2-benzothiazolyl)-2,6-pyridinedicarboxamide

A new macroacyclic amide ligand N,N’-bis(2-benzothiazolyl)-2,6-pyridinedicarboxamide (BPD), formed by the condensation of 2,6-pyridinedicarbonyldichloride with 2-aminobenzothiazole, and its Cu(II), Ni(II), Co(II), Mn(II), Zn(II) and Cd(II) complexes were synthesized. Their structures were elucidated on the basis of elemental analyses, conductance measurements, magnetic moments, spectral (IR, NMR, UV-Visible, EPR and FAB) and thermal studies. The complexes exhibit an octahedral geometry around the metal center. Conductance data of the complexes suggested them to be 1:1 electrolytes. The pentadentate behavior of the ligand was proposed on the basis of spectral studies. The X-band EPR spectra of the Cu(II) and Mn(II) complexes in the polycrystalline state at room (300 K) and liquid nitrogen temperature (77 K) were recorded and their salient features are reported

Carbazole Derivatives as Potential Antimicrobial Agents

Microbial infection is a leading cause of death worldwide, resulting in around 1.2 million deaths annually. Due to this, medicinal chemists are continuously searching for new or improved alternatives to combat microbial infections. Among many nitrogen-containing heterocycles, carbazole derivatives have shown significant biological activities, of which its antimicrobial and antifungal activities are the most studied. In this review, miscellaneous carbazole derivatives and their antimicrobial activity are discussed (articles published from 1999 to 2022)

Coumarin Triazoles as Potential Antimicrobial Agents

Currently, in hospitals and community health centers, microbial infections are highly common diseases and are a leading cause of death worldwide. Antibiotics are generally used to fight microbial infections; however, because of the abuse of antibiotics, microbes have become increasingly more resistant to most of them. Therefore, medicinal chemists are constantly searching for new or improved alternatives to combat microbial infections. Coumarin triazole derivatives displayed a variety of therapeutic applications, such as antimicrobial, antioxidant, and anticancer activities. This review summarizes the advances of coumarin triazole derivatives as potential antimicrobial agents covering articles published from 2006 to 2022

Ligational behaviour of (E)-2-amino-N ` -1-(2-hydroxyphenyl) ethylidene]benzohydrazide towards later 3d metal ions: X-ray crystal structure of nickel(IV) complex

Ligational behaviour of (E)-2-amino-N'-1-(2-hydroxyphenyl)ethylidene]benzohydrazide (Aheb) towards later 3d metal ionscopper(II), cobalt(II), manganese(II), zinc(II), cadmium(II) and nickel(IV)] has been studied. Their structures have been elucidated on the basis of spectral (IR, H-1 NMR, UV-Vis, EPR and FAB-mass), elemental analyses, conductance measurements, magnetic moments, and thermal studies. During complexation Ni(II) ion has got oxidized to Ni(IV). The changes in the bond parameters of the ligand on complexation has been discussed by comparing the crystal structure of the ligand with that of its Ni(IV) complex. The X-ray single crystal analysis of Ni(aheb)(2)]Cl-2 center dot 4H(2)O has confirmed an octahedral geometry around the metal ion. EPR spectra of the Cu(II) complex in polycrystalline state at room (300 K) and liquid nitrogen temperature (77 K) were recorded and their salient features are reported. (C) 2014 Elsevier B.V. All rights reserved