cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.8204297.v1
title: Networks of (Dis)connection: Mobility Practices, Tertiary Streets, and Sectarian Divisions in North Belfast

description: Long-standing tensions between Protestant and Catholic communities in Northern Ireland have led to high levels of segregation. This article explores the spaces within which residents of north Belfast move within everyday life and the extent to which these are influenced by segregation. We focus in particular on the role that interconnecting tertiary streets have on patterns of mobility. We adapt Grannis’s (1998) concept to define T-communities from sets of interconnecting tertiary streets within north Belfast. These are combined with more than 6,000 Global Positioning System (GPS) tracks collected from local residents to assess the amount of time spent within different spaces. Spaces are divided into areas of residents’ own community affiliations (in-group), areas not clearly associated with either community (mixed), or areas of opposing community affiliation (out-group). We further differentiate space as being either within a T-community or along a section of main road. Our work extends research on T-communities by expanding their role beyond exploring residential preference, to explore, instead, networks of (dis)connection through which social divisions are expressed via everyday mobility practices. We conclude that residents are significantly less likely to move within mixed and out-group areas and that this is especially true within T-communities. It is also evident that residents are more likely to travel along out-group sections of a main road if they are in a vehicle and that women show no greater likelihood than men to move within out-group space. Evidence from GPS tracks also provides insights into some areas where mixing appears to occur. <i>Key Words: GIS, Northern Ireland, postconflict, segregation, T-communities.</i>
DOI: 10.6084/m9.figshare.8204126
title: Virulence targeted inhibitory effect of linalool against the exclusive uropathogen <i>Proteus mirabilis</i>

description: <i>Proteus mirabilis</i> is one of the leading causes of catheter-associated UTIs (CAUTI) in individuals with prolonged urinary catheterization. Since, biofilm assisted antibiotic resistance is reported to complicate the treatment strategies of <i>P. mirabilis</i> infections, the present study was aimed to attenuate biofilm and virulence factor production in <i>P. mirabilis.</i> Linalool is a naturally occurring monoterpene alcohol found in a wide range of flowers and spice plants and has many biological applications. In this study, linalool exhibited concentration dependent anti-biofilm activity against crystalline biofilm of <i>P. mirabilis</i> through reduced production of the virulence enzyme urease that raises the urinary pH and drives the formation of crystals (struvite) in the biofilm. The results of q-PCR analysis unveiled the down regulation of biofilm/virulence associated genes upon linalool treatment, which was in correspondence with the <i>in vitro</i> bioassays. Thus, this study reports the feasibility of linalool acting as a promising anti-biofilm agent against <i>P. mirabilis</i> mediated CAUTI.
DOI: 10.6084/m9.figshare.8203877
title: Supporting data in Excel form.xlsx

description: <b>Antibiotic resistance pattern of <i>Staphylococcus aureus </i>with reference to MRSA<i> </i>isolates </b>
DOI: 10.6084/m9.figshare.8203754
title: Schiff base clubbed benzothiazole: synthesis, potent antimicrobial and MCF-7 anticancer activity, DNA cleavage and computational study

description: Schiff bases containing benzothiazole unit are synthesized and characterized by <sup>1</sup>H NMR, <sup>13</sup>C NMR, LC–MS, UV–visible and fluorescence spectroscopy methods. Synthesized compounds were evaluated for <i>in vitro</i> antibacterial activities on four different strains (<i>Staphylococcus aureus, Bacillus sps, Escherichia. coli</i> and <i>Klebsiella pneumoniae</i>) and antifungal activity on one strain (<i>Candida albicans</i>) by using ‘micro-broth dilution method’ (MIC in µg/mL). All compounds showed excellent antibacterial activity for <i>S. aureus, E. coli</i> and <i>K. pneumoniae</i> strains, as well as an antifungal activity for <i>C. albicans</i>, compared to standard Ciprofloxacin and Fluconazole, respectively. Molecular docking studies were carried out to get more insight into the binding mechanism. Reactivity of molecules was assessed using molecular electrostatic potential (MEP). HOMO–LUMO gap, chemical hardness and global softness were calculated and correlated with antimicrobial activity. VS5-e exhibits excellent antimicrobial activities and also shows more chemical reactivity and less toxicity which were confirmed by smaller HOMO–LUMO gap, lesser chemical hardness, higher global softness and lesser electrophilicity index. Henceforth, it was further assessed for DNA cleavage and against MCF-7 breast cancer cell. VS5-e reveals 85.82% inhibition of cancer cells at a concentration of 200 µg/mL. The compound VS5-e showed less toxicity to normal cells at the concentration required to produce an anticancer effect (with high IC<sub>50</sub> = 973 µg/mL). Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.8203877.v1
title: Additional File 8-Supporting data in Excel form.xlsx

description: <b>Antibiotic resistance pattern of <i>Staphylococcus aureus </i>with reference to MRSA<i> </i>isolates </b>
DOI: 10.6084/m9.figshare.8203721
title: energyGrids_astrocyte_P28.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203754.v1
title: Schiff base clubbed benzothiazole: synthesis, potent antimicrobial and MCF-7 anticancer activity, DNA cleavage and computational study

description: Schiff bases containing benzothiazole unit are synthesized and characterized by <sup>1</sup>H NMR, <sup>13</sup>C NMR, LC–MS, UV–visible and fluorescence spectroscopy methods. Synthesized compounds were evaluated for <i>in vitro</i> antibacterial activities on four different strains (<i>Staphylococcus aureus, Bacillus sps, Escherichia. coli</i> and <i>Klebsiella pneumoniae</i>) and antifungal activity on one strain (<i>Candida albicans</i>) by using ‘micro-broth dilution method’ (MIC in µg/mL). All compounds showed excellent antibacterial activity for <i>S. aureus, E. coli</i> and <i>K. pneumoniae</i> strains, as well as an antifungal activity for <i>C. albicans</i>, compared to standard Ciprofloxacin and Fluconazole, respectively. Molecular docking studies were carried out to get more insight into the binding mechanism. Reactivity of molecules was assessed using molecular electrostatic potential (MEP). HOMO–LUMO gap, chemical hardness and global softness were calculated and correlated with antimicrobial activity. VS5-e exhibits excellent antimicrobial activities and also shows more chemical reactivity and less toxicity which were confirmed by smaller HOMO–LUMO gap, lesser chemical hardness, higher global softness and lesser electrophilicity index. Henceforth, it was further assessed for DNA cleavage and against MCF-7 breast cancer cell. VS5-e reveals 85.82% inhibition of cancer cells at a concentration of 200 µg/mL. The compound VS5-e showed less toxicity to normal cells at the concentration required to produce an anticancer effect (with high IC<sub>50</sub> = 973 µg/mL). Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.8203718
title: energyGrids_neuron_E13pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203718.v1
title: energyGrids_neuron_E13pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203721.v1
title: energyGrids_astrocyte_P28.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203712
title: energyGrids_neuron_P4.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203715
title: energyGrids_neuron_E11pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203709
title: energyGrids_neuron_E15pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203877.v2
title: Supporting data in Excel form.xlsx

description: <b>Antibiotic resistance pattern of <i>Staphylococcus aureus </i>with reference to MRSA<i> </i>isolates </b>
DOI: 10.6084/m9.figshare.8203715.v1
title: energyGrids_neuron_E11pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203706
title: energyGrids_astrocyte_P4.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203709.v1
title: energyGrids_neuron_E15pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203712.v1
title: energyGrids_neuron_P4.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203703
title: energyGrids_neuron_E18pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203700
title: energyGrids_astrocyte_P14.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203703.v1
title: energyGrids_neuron_E18pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203706.v1
title: energyGrids_astrocyte_P4.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203877.v3
title: Supporting data in Excel form.xlsx

description: <b>Antibiotic resistance pattern of <i>Staphylococcus aureus </i>with reference to MRSA<i> </i>isolates </b>
DOI: 10.6084/m9.figshare.8203697
title: energyGrids_neuron_P14.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203697.v1
title: energyGrids_neuron_P14.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203700.v1
title: energyGrids_astrocyte_P14.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203688
title: energyGrids_oligodendrocyte_E18pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203691
title: energyGrids_oligodendrocyte_E15pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203694
title: energyGrids_neuron_P28.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203685
title: energyGrids_oligodendrocyte_P4.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203688.v1
title: energyGrids_oligodendrocyte_E18pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203685.v1
title: energyGrids_oligodendrocyte_P4.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203691.v1
title: energyGrids_oligodendrocyte_E15pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203694.v1
title: energyGrids_neuron_P28.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203679
title: energyGrids_oligodendrocyte_E11pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203682
title: energyGrids_astrocyte_E18pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203673
title: energyGrids_oligodendrocyte_P14.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203676
title: energyGrids_astrocyte_E11pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203682.v1
title: energyGrids_astrocyte_E18pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203676.v1
title: energyGrids_astrocyte_E11pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203667
title: energyGrids_astrocyte_E13pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203670
title: energyGrids_oligodendrocyte_E13pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203673.v1
title: energyGrids_oligodendrocyte_P14.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203667.v1
title: energyGrids_astrocyte_E13pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203670.v1
title: energyGrids_oligodendrocyte_E13pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203679.v1
title: energyGrids_oligodendrocyte_E11pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203664
title: energyGrids_oligodendrocyte_P28.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203637
title: energyGrids_P14.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203637.v1
title: energyGrids_P14.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203640
title: energyGrids_P28.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203661
title: energyGrids_astrocyte_E15pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203664.v1
title: energyGrids_oligodendrocyte_P28.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203640.v1
title: energyGrids_P28.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203661.v1
title: energyGrids_astrocyte_E15pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203631
title: energyGrids_E13pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203631.v1
title: energyGrids_E13pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203634
title: energyGrids_E11pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203625
title: energyGrids_P4.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203628
title: energyGrids_E15pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203622
title: energyGrids_E18pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203634.v1
title: energyGrids_E11pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203619
title: Discovery of new potential triplet acting inhibitor for Alzheimer’s disease via X-ray crystallography, molecular docking and molecular dynamics

description: The most common brain disorder of late life is Alzheimer’s disease (AD), which is highly complicating dementia. There are several drug targets which are reported to control the severe level of AD; notably, acetylcholinesterase, β-Secretase and glycogen synthase kinase enzymes are approached as a good drug targets for AD. Hence, the present study mainly focused to discover newly synthesized molecule (7-propyl-6H-pyrano[3,2-c:5,6-c']dichromene-6,8(7H)-dione) as a potential triplet acting drug for above said enzymes through the analysis of X-ray crystallography, molecular docking, molecular dynamics and quantum chemical calculation. The target drug molecule was crystallized in the monoclinic crystal structure with P21/n space group. The structure was solved by SHELXS and refined by SHELXL. The crystal packing is stabilized by C − H···O type of interactions. Further, the induced fit docking shows that the molecule has high docking score, glide energy, favorable hydrogen bonding and hydrophobic interactions on the protein targets. The molecular dynamics simulation was performed to understand the stability of the molecule in the presence of active site environment. Finally, quantum chemical calculation has been carried out for the molecule in gas phase and for the corresponding molecule lifted from the active site region. The structural comparison between gas phase and active site helps to understand the conformational modification of the molecule in the active site. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.8203622.v1
title: energyGrids_E18pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203628.v1
title: energyGrids_E15pt5.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203610
title: brainDivision.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203625.v1
title: energyGrids_P4.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203604
title: spinalCord_ID.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203610.v1
title: brainDivision.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203604.v1
title: spinalCord_ID.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203619.v1
title: Discovery of new potential triplet acting inhibitor for Alzheimer’s disease via X-ray crystallography, molecular docking and molecular dynamics

description: The most common brain disorder of late life is Alzheimer’s disease (AD), which is highly complicating dementia. There are several drug targets which are reported to control the severe level of AD; notably, acetylcholinesterase, β-Secretase and glycogen synthase kinase enzymes are approached as a good drug targets for AD. Hence, the present study mainly focused to discover newly synthesized molecule (7-propyl-6H-pyrano[3,2-c:5,6-c']dichromene-6,8(7H)-dione) as a potential triplet acting drug for above said enzymes through the analysis of X-ray crystallography, molecular docking, molecular dynamics and quantum chemical calculation. The target drug molecule was crystallized in the monoclinic crystal structure with P21/n space group. The structure was solved by SHELXS and refined by SHELXL. The crystal packing is stabilized by C − H···O type of interactions. Further, the induced fit docking shows that the molecule has high docking score, glide energy, favorable hydrogen bonding and hydrophobic interactions on the protein targets. The molecular dynamics simulation was performed to understand the stability of the molecule in the presence of active site environment. Finally, quantum chemical calculation has been carried out for the molecule in gas phase and for the corresponding molecule lifted from the active site region. The structural comparison between gas phase and active site helps to understand the conformational modification of the molecule in the active site. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.8203583
title: variance.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203601
title: annotationGrids.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.
DOI: 10.6084/m9.figshare.8203601.v1
title: annotationGrids.mat

description: The dataset is the basis of our analysis of correlated gene expression (CGE) in the developing mouse brain.