62,476 research outputs found
Sceliphron isaaci Jha & Farooqi 1995
No full text1. Sceliphron isaaci Jha & Farooqi, 1995 Sceliphron isaaci Jha & Farooqi, 1995: 13, ♀, ♂. Holotype: ♀, India: Andaman Islands: Port Blair: North Bay (repository?). Diagnosis. Female. Frons with fine longitudinal diverging striation mixed with punctures; clypeus apico-medially incised with lateral incisions (see Fig. 5 of Jha & Farooqi (1995: 14)); pronotal collar notched in middle, transversely finely striate, side punctate; mesoscutum finely striate, transverse anteriorly and oblique posteriorly; scutellum longitudinally striate; metanotum with fine sparse punctuation; propodeal enclosure with longitudinal depression in middle; mesopleuron punctate; petiole yellow. Male. Resembles female in general morphology, clypeus similar as in pictum but lobes more pronounced (See Fig. 4 of Jha & Farooqi (1995: 14)); lobes of collar more pronounced with front surface rather densely striate; metanotum narrow, longitudinally and roughly striate; petiole longer than in female. Distribution. India: Andaman Islands (Jha & Farooqi 1995; Pulawski 2021).Published as part of Anagha, S., Kumar, P. Girish, Binoy, C., Mazumdar, P. C. & Sureshan, P. M., 2021, A review of the mud-dauber wasps of genus Sceliphron Klug (Hymenoptera Sphecidae) from India, pp. 61-85 in Zootaxa 4969 (1) on page 81, DOI: 10.11646/zootaxa.4969.1.3, http://zenodo.org/record/474579
Sceliphron paraintrudens Jha & Farooqui 1995
No full text3. Sceliphron paraintrudens Jha & Farooqi, 1995. Sceliphron paraintrudens Jha & Farooqi, 1995: 17, ♀, ♂. Holotype: ♀, India: Bihar: Pusa (repository?) Diagnosis. Female. Frons with very fine shallow close punctures; clypeus apico-medially incised, forming two lobes, outer margin of each lobe obliquely truncate, incision on either side delimiting middle lobe (see Fig. 15 of Jha & Farooqi (1995: 18)); pronotal collar with fine shallow crowded punctation; mesonotum with very fine striation, transverse anteriorly, becoming oblique posteriorly; scutellum and metanotum longitudinally finely striate; propodeal enclosure with longitudinal depression in middle, striation comparatively bold, but similar as in S. madraspatanum in arrangement; mesopleuron with crowded punctation; petiole reddish yellow. Male. Metanotum transversely striate; petiole longer than female and pale yellow except apex. Distribution. India: Bihar (Jha & Farooqi 1995; Pulawski 2021).Published as part of Anagha, S., Kumar, P. Girish, Binoy, C., Mazumdar, P. C. & Sureshan, P. M., 2021, A review of the mud-dauber wasps of genus Sceliphron Klug (Hymenoptera Sphecidae) from India, pp. 61-85 in Zootaxa 4969 (1) on page 82, DOI: 10.11646/zootaxa.4969.1.3, http://zenodo.org/record/474579
Sceliphron neobilineatum Jha & Farooqi 1995
No full text<i>2.</i> <i>Sceliphron neobilineatum</i> Jha & Farooqi, 1995 <p> <i>Sceliphron neobilineatum</i> Jha & Farooqi, 1995: 15, ♀, ♂. Holotype: ♀, India: Bihar: Pusa (repository?).</p> <p> <b>Diagnosis</b>. <b>Female</b>. Frons with fine striation diverging from ocellar region; clypeus apico-medially incised, without lateral incisions (see Fig. 10 of Jha & Farooqi (1995: 18)); pronotal collar with yellow band, transversely striate and finely pitted anteriorly; mesoscutum with regular transverse striation; scutellum and top of metanotum yellow, scutellum longitudinally and metanotum transversely striate; propodeal enclosure transversely striate, with narrow longitudinal furrow in middle, posterior half of propodeum yellow except along median line; mesopleuron striate and punctate; petiole, anterior half of first metasomal tergum sub-apically and sub- basally yellow.</p> <p> <b>Male.</b> Striation on mesoscutum posteriorly usually circular; mesopleural striation broken and distantly placed; petiole longer than in female.</p> <p> <b>Distribution</b>. India: Bihar (Jha & Farooqi 1995; Pulawski 2021).</p>Published as part of <i>Anagha, S., Kumar, P. Girish, Binoy, C., Mazumdar, P. C. & Sureshan, P. M., 2021, A review of the mud-dauber wasps of genus Sceliphron Klug (Hymenoptera Sphecidae) from India, pp. 61-85 in Zootaxa 4969 (1)</i> on page 81, DOI: 10.11646/zootaxa.4969.1.3, <a href="http://zenodo.org/record/4745790">http://zenodo.org/record/4745790</a>
DFT study of guest-responsive cooperative effects: Inclusion complexation of alcohols with calix[4]pyrrole
No full textAbstract: Herein, we report guest-responsive structural changes and cooperative effects in inclusion complexes of meso-octamethylcalix[4]pyrrole. A series of lower alcohol guests were modeled using the density functional theory at B97D/6-311 + G* and ωB97D/6-311 + G* level of approximation to study their thermochemical properties and complexation geometries. Results of binding energies of CP:1-alcohol and CP:2-alcohol complexes indicated that the methylene glycol exhibited strongest binding, whereas ethane-1,2-diol has the highest cooperative effects. Attempts were also made to address the cooperative effects by correlating them with the partial charges (Hirshfeld, Atomic Dipole Corrected Hirshfeld) and the second-order energy interactions. Graphical abstract: [Figure not available: see fulltext.
Problems and Solutions for New Member States in Implementing the JHA Acquis. CEPS Working Documents No. 212, 1 October 2004
No full textThe pace of development of the justice and home affairs (JHA) acquis has been quite impressive, especially since the Amsterdam Treaty (and the new Title IV), which has offered a new legal basis and possibilities for progress in this area. After the entry into force of the Single European Act, the balance has been moving increasingly from national towards European Union solutions in JHA. At first the process was steady, but slow. This is unsurprising given that it was the first attempt by a supranational organisation to address problems such as immigration or cooperation in criminal matters. The already voluminous JHA acquis is still evolving. Most of the text is legally binding, yet only a small part of the Treaty objectives of Title IV TEC and Title VI TEU have been implemented so far. The challenge for the enlarged EU regarding the JHA acquis is therefore a dual one (Monar 2004): · ‘maintaining’ the acquis in the sense of preserving what has already been achieved and ensuring that it is effectively implemented; and · ‘developing’ the acquis in the sense of making certain that the momentum is not lost. This paper examines the key post-enlargement challenges in JHA – the problems and solutions that are incumbent to the implementation of the JHA acquis and how the lack of mutual trust can be overcome to enhance decision-making and implementation capabilities after the enlargement of 1 May 2004
Computational investigation of binding of chloroquinone and hydroxychloroquinone against PLPro of SARS-CoV-2
No full textNovel coronavirus SARS-CoV-2 has infected 18 million people with 700,000+ mortalities worldwide and this deadly numeric figure is rapidly rising. With very few success stories, the therapeutic targeting of this epidemic has been mainly attributed to main protease (Mpro), whilst Papain-like proteases (PLpro) also plays a vital role in the processing of replicase polyprotein. Multifunctional roles of PLpro such as viral polypeptide cleavage, de-ISGlyation and immune suppression have made it a promising drug target for therapeutic interventions. Whilst there have been a number of studies and others are on-going on repurposing and new-small molecule screening, albeit previously FDA approved drugs viz. Chloroquine (CQ) and Hydroxychloroquine (HCQ) have only been found effective against this pandemic. Inspired by this fact, we have carried out molecular docking and dynamics simulation studies of FDA approved CQ and HCQ against SARS-CoV-2 PLpro. The end aim is to characterise the binding mode of CQ and HCQ and identify the key amino acid residues involved in the mechanism of action. Further, molecular dynamics simulations (MDS) were carried out with the docked complex to search for the conformational space and for understanding the integrity of binding mode. We showed that the CQ and HCQ can bind with better binding affinity with PLpro as compared to reference known PLpro inhibitor. Based on the presented findings, it can be anticipated that the SARS-CoV-2 PLpro may act as molecular target of CQ and HCQ, and can be projected for further exploration to design potent inhibitors of SARS-CoV-2 PLpro in the near future
Exploring Ruthenium-Based Organometallic Inhibitors against Plasmodium falciparum Calcium Dependent Kinase 2 (PfCDPK2): A Combined Ensemble Docking, QM/MM and Molecular Dynamics Study
No full textRecent advances in the metal-organic framework (MOF) have accelerated the discovery of novel metal-based anticancer, antibacterial and antimalarial compounds. This is substantiated by many serendipitously discovered metals (Ru, Rh, and Ir) based inhibitors that established the importance of metal inserted into the known organic scaffold. Conversely, it is possible to design novel bioactive compounds by mimicking hypervalent carbon atoms by transition metals. This process can be facilitated by computational drug discovery by treating metal centres using optimized parameters that can be used for molecular docking and molecular dynamics simulations. Further, the method can be plugged with high computational power and refined algorithms to interpret chemical phenomena with atomic-level insights. In the present work, we have demonstrated an approach for parameterizing three organometallic ligands (FLL, E52, and staurosporine) using MCPB.py. In particular, we report that E52 and FLL have a better shape complimentary and affinity compared to staurosporine identified inhibitor (staurosporine) against Calcium-dependent protein kinases 2 (CDPK2). This study also revealed that a flexible approach (ensemble) outperforms the given target with dynamic movements. The calculated MM-PBSA energies for staurosporine, FLL and E52 were −66.461±2.192, −67.182±1.971 and −91.339±2.745 kJ/mol, respectively
Measurement of the ratio of prompt χ c to J / ψ production in pp collisions at √s = 7 TeV
No full textThe prompt production of charmonium χ c and J / ψ states is studied in proton-proton collisions at a centre-of-mass energy of √s = 7 TeV at the Large Hadron Collider. The χ c and J / ψ mesons are identified through their decays χ c → J / ψ γ and J / ψ → μ + μ - using 36 pb - 1 of data collected by the LHCb detector in 2010. The ratio of the prompt production cross-sections for χ c and J / ψ, σ (χ c → J / ψ γ) / σ (J / ψ), is determined as a function of the J / ψ transverse momentum in the range 2 < p T J / ψ < 15 GeV / c. The results are in excellent agreement with next-to-leading order non-relativistic expectations and show a significant discrepancy compared with the colour singlet model prediction at leading order, especially in the low p T J / ψ region
Transcriptome analysis of genes that were differentially expressed in juvenile hormone analog (JHA, methoprene)- and disruptor (JHD, methyl lucidone)-treated <i>Drosophila melanogaster</i> larvae.
No full textJHA↑, genes significantly activated by JHA treatment; JHA↓, genes significantly repressed by JHA treatment; JHD↑, genes significantly activated by JHD treatment; JHD↓, genes significantly repressed by JHD treatment. (A) JHA↑JHD↓, genes significantly activated by JHA and significantly repressed by JHD; (B) JHA↓JHD↑, genes significantly repressed by JHA and significantly activated by JHD; (C) JHA↑JHD↑, genes significantly activated by both JHA and JHD; and (D) JHA↓JHD↓, genes significantly repressed by both JHA and JHD.</p
Gene ontology analysis of gene cohorts that were differentially expressed in juvenile hormone analog (JHA)- and disruptor (JHD)-fed <i>D</i>. <i>melanogaster</i> larvae.
No full textRed indicates ontology groups with significant overrepresentation (P<0.01 in a hypergeometric distribution). The functional groups with corresponding abbreviations and colors are indicated. (A) JHA↑JHD↓, genes significantly activated by JHA and significantly repressed by JHD; (B) JHA↓JHD↑, genes significantly repressed by JHA and significantly activated by JHD; (C) JHA↑JHD↑, genes significantly activated by both JHA and JHD; and (D) JHA↓JHD↓, genes significantly repressed by both JHA and JHD.</p
- …
