ALBERT

Description: Damage to the corticospinal tract is widely studied following unilateral subcortical stroke, whereas less is known about changes to other sensorimotor pathways. This may be due to the fact that many studies investigated morphological changes in the brain, where the majority of descending and ascending brain pathways are overlapping, and did not investigate the brainstem where they separate. Moreover, these pathways continue passing through separate regions in the spinal cord. Here, using a high-resolution structural MRI of both the brainstem and the cervical spinal cord, we were able to identify a number of microstructurally altered pathways, in addition to the corticospinal tract, post stroke. Moreover, decreases in ipsi-lesional corticospinal tract integrity and increases in contra-lesional medial reticulospinal tract integrity were correlated with motor impairment severity in individuals with stroke.

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): Mónica Andrea Vargas, Jesús E. Diosa, Edgar Mosquera〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This article presents the data on α-Fe〈sub〉2〈/sub〉O〈sub〉3〈/sub〉 nanoparticles synthesized via Pechini method using iron(III) oxide precursor from steel industry. It is important to highlight the added value that is given to an industrial waste. The samples were characterized by thermal analysis (DTA, TG), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR). The TG showed three mass changes, whereas DTA resulted in three anomalies. X-ray diffraction pattern of the samples disclosed rhombohedral structure characteristic of the nanocrystalline α-Fe〈sub〉2〈/sub〉O〈sub〉3〈/sub〉 phase. The crystallite size was estimated for each thermal treatment. Fourier transform infrared spectroscopy confirms the phase purity of prepared nanoparticles. A detailed study on the local structure of the samples was carry out in the region of 800 and 400 cm〈sup〉−1〈/sup〉, where the associated bands of Fe–O bonds are presents. The data have not been reported nor discussed for now.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 5 July 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Gyeong Han Jeong, Jae-Hyeon Cho, Tae Hoon Kim〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Convenient structure modification of (+)-catechin (〈strong〉1〈/strong〉) induced by nonthermal dielectric barrier discharge (DBD) plasma treatment afforded three novel methylene-linked flavan-3-ol oligomers, methylenetetracatechin (〈strong〉2〈/strong〉), methylenetricatechin (〈strong〉3〈/strong〉), and methylenedicatechin (〈strong〉4〈/strong〉), together with two known catechin dimers, 〈em〉bis〈/em〉 8,8′-catechinylmethane (〈strong〉5〈/strong〉) and 〈em〉bis〈/em〉 6,8′-catechinylmethane (〈strong〉6〈/strong〉). The structures of the three new catechin oligomers 〈strong〉2〈/strong〉–〈strong〉4〈/strong〉 with methylene bridges were elucidated by detailed 1D- and 2D-NMR analysis, and the absolute configurations were established by the observation of circular dichroism (CD). The novel products 〈strong〉2〈/strong〉 and 〈strong〉3〈/strong〉 showed significantly enhanced anti-adipogenic capacities against both pancreatic lipase and differentiation of 3T3-L1 preadipocytes compared to the parent (+)-catechin.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19304536-ga1.jpg" width="500" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 5 July 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Yasushi Ogasawara, Yo Nakagawa, Chitose Maruyama, Yoshimitsu Hamano, Tohru Dairi〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Mitomycins, produced by several 〈em〉Streptomyces〈/em〉 strains, are potent anticancer antibiotics that comprise an aziridine ring fused to a tricyclic mitosane core. Mitomycins have remarkable ability to crosslink DNA with high efficiency. Despite long clinical history of mitomycin C, the biosynthesis of mitomycins, especially mitosane core formation, remains unknown. Here, we report 〈em〉in vitro〈/em〉 characterization of three proteins, MmcB (acyl carrier protein), MitE (acyl AMP ligase), and MitB (glycosyltransferase) involved in mitosane core formation. We show that 3-amino-5-hydroxybenzoic acid (AHBA) is first loaded onto MmcB by MitE at the expense of ATP. MitB then catalyzes glycosylation of AHBA-MmcB with uridine diphosphate-〈em〉N〈/em〉-acetylglucosamine (UDP-GlcNAc) to generate a key intermediate, GlcNAc-AHBA-MmcB, which contains all carbon and nitrogen atoms of the mitosane core. These results provide important insight into mitomycin biosynthesis.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19304548-ga1.jpg" width="490" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): Samyr M. Querobino, Naially C. de Faria, Aryane A. Vigato, Bruna G.M. da Silva, Ian P. Machado, Maricilia S. Costa, Fanny N. Costa, Daniele R. de Araujo, Carlos Alberto-Silva〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Functional polymeric nanoparticles have attracted attention for different biomedical applications, including drug delivery. Poloxamers (PL), a synthetic copolymers of poly(ethyleneoxide)-b-poly(propylene oxide)-b-poly(ethylene oxide), that exhibit thermoreversible behavior in aqueous solutions. Physicochemical properties of Oleic Acid-Poloxamer (OA-PL) organogel for intravaginal controlled Voriconazole (VRC) delivery were assessed using three different oils (isopropyl myristate - IPM, isopropyl palmitate - IPP, and oleic acid – OA, in order to select the most suitable oil phase for increasing the solubility of the drug and its dispersion in the final aqueous phase. Organogel structural organization was assessed by VRC partition coefficient, differential scanning calorimetry (DSC), rheological analysis, and drug release assay. These data are complementary to the research article entitled “Sodium alginate in oil-poloxamer organogels for intravaginal drug delivery: influence on structural parameters, drug release mechanisms, cytotoxicity and 〈em〉in vitro〈/em〉 antifungal activity” - Materials Science and Engineering: C, 2019. 99: p. 1350–1361.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): Muhamad Aidil Zahidin, Norehan Abd Jalil, Nur Mukminah Naharuddin, Mohd Ridwan Abd Rahman, Millawati Gani, Mohd Tajuddin Abdullah〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Tarsier is an endangered nocturnal primate in the family Tarsiidae and is an endemic to Sundaic islands of Philippine (〈em〉Carlito syrichta〈/em〉), Sulawesi (〈em〉Tarsius〈/em〉 tarsier-complex) and Borneo (〈em〉Cephalopachus bancanus〈/em〉). Recent records indicated that most molecular studies were done on the Eastern Tarsier and little information for the other group of tarsiers. Here, we present a partial cytochrome b data set of 〈em〉C. bancanus〈/em〉 in Sarawak, Malaysian Borneo. Standard mist nets were deployed at strategic locations in various habitat types. A total of 18 individuals were caught, measured and weighed. Approximately, 2 × 2 mm of tissue samples were taken and preserved in molecular grade alcohol. Out of 18, only 11 samples were screened with partial mtDNA (cytochrome 〈em〉b〈/em〉) and the DNA sequences were registered in the GenBank (accession numbers: KY794797-KY794807). Phylogenetic trees were constructed with 20 additional mtDNA sequences downloaded from GenBank. The data are valuable for the management authorities to regulate the type of management units for the metapopulation to sustain population genetics integrity of tarsiers in the range countries across the Sunda Shelf.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 4 July 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Hiroyuki Miyachi, Tomohiro Yuzuriha, Ryotaro Tabata, Syohei Fukuda, Kazuto Nunomura, Bangzhong Lin, Tadayuki Kobayashi, Kenji Ishimoto, Takefumi Doi, Keisuke Tachibana〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉We previously reported that 1〈em〉H〈/em〉-pyrazolo-[3,4-〈em〉b〈/em〉]pyridine-4-carboxylic acid derivative 〈strong〉6〈/strong〉 is an agonist of human peroxisome proliferator-activated receptor alpha (hPPARα). Here, we prepared a series of 1〈em〉H〈/em〉-pyrazolo-[3,4-〈em〉b〈/em〉]pyridine-4-carboxylic acid derivatives in order to examine the structure-activity relationships (SAR). SAR studies clearly indicated that the steric bulkiness of the substituent on 1〈em〉H〈/em〉-pyrazolo-[3,4-〈em〉b〈/em〉]pyridine ring, the position of the distal hydrophobic tail part, and the distance between the distal hydrophobic tail part and the acidic head part are critical for hPPARα agonistic activity. These SAR results are somewhat different from those reported for fibrate-class hPPARα agonists. A representative compound (〈strong〉10f〈/strong〉) was as effective as fenofibrate in reducing the elevated plasma triglyceride levels in a high-fructose-fed rat model.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19304445-ga1.jpg" width="408" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): Willams Oliveira, Jéssica Luiza Souza e Silva, Marcela Tomaz Pontes de Oliveira, Oswaldo Cruz-Neto, Luanda Augusta Pinheiro da Silva, Laís Angélica Borges, Mellissa Sousa Sobrinho, Ariadna Valentina Lopes〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In this article, we supply raw data on the reproductive biology and frequency of pollinators of 〈em〉Paubrasilia echinata〈/em〉, a threatened tree, endemic to the Brazilian Atlantic forest, which is largely used in Brazilian urban areas (e.g. avenues, parks and squares) due to its ornamental potential. Specifically, we share data on the reproductive phenology, pollen/flower, floral visitors and seed set of 〈em〉P. echinata〈/em〉 in urban and natural ecosystems. This dataset article is related to the original research article "〈strong〉Reduced reproductive success of the endangered tree brazilwood (〈em〉Paubrasilia echinata〈/em〉, Leguminosae) in urban ecosystem compared to Atlantic forest remnant: lessons for tropical urban ecology〈/strong〉" (Oliveira et al., 2019). As urbanization is thought to negatively impact the maintenance of plant communities by affecting ecological key interactions, such as pollination, we believe that data as the supplied here are relevant and could support the planning of urban green spaces to maintain viable communities of plants and animals. This is especially valid for tropical urban ecosystems since most of the studies on plant ecology have been developed in temperate regions and there are still several gaps on the knowledge of ecological functions and ecosystems services (e.g. pollination) in urban green areas in the tropics.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): R. Sathish Kumar, K. Sureshkumar〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This data article presents the experimental data set on the optimization of four important parameters which are type of blending fuel, blending ratio, compression ratio and injection timing for four objective functions namely higher brake thermal efficiency, lower brake specific fuel consumption, lower oxides of nitrogen emission and lower unburnt hydrocarbon emission using grey relational analysis and orthogonal array based experimental design. Each parameter was fixed with three levels and L9 orthogonal array has been chosen for experimental analysis. The data obtained from the experimental work reported that butanol as blending fuel, 40% of maximum blending ratio, compression ratio of 16:1 and injection timing of 26 °CA before top dead centre were identified as optimized set of parameters.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): Vladimir Kolmakov, Alexandra Polyakova〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This data article provides estimates on the Russian regions' aggregate free cash flow, which is not covered by national statistics of major countries. A proper microeconomic model was adapted to regional level data to derive a synthetic indicator of a regional economy's performance. The data contributes to the set of regional performance measures thus enabling a new look at studies of economic growth and development. Conventional economic growth indicators, such as GDP, fixed capital investment or industrial output, are widely criticized since they can have negative values only in terms of growth rates thus showing no evidence of value creation or deterioration. Our data on regional free cash flow eliminates this drawback.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): Sacha Varone, Corentin Beffa〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉“Passeport Vacances”, abbreviated PV, is a set of leisure activities proposed to children to discover and enjoy during school holidays. During PV, activities are proposed several times, each one being an occurrence. This data set contains real data, collected by online registration during the summer of 2017. Children express their preferences for each available time slot. Organizers should assign activities to children by maximizing their expressed preferences, subject to several types of constraints: age limit, group size limit for each occurrence of an activity, diversification of the type of activities for each child, restrictions on costly activities, restrictions on the number of activities per period, and cost balancing. The CSV files in this data set represent the preferences of 634 children for 1121 activities over a two-week period. These data were used to develop the Morges 2017 Vacation Passport model, which is associated with the research article entitled ““Passeport Vacances”: an assignment problem with cost balancing” Beffa and Varone, 2018.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): Prashant Kaushik, Shashi Kumar〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉〈em〉Aegle marmelos〈/em〉 L. (Bael), of family Rutaceae, produces nutritious and medicinally important fruits. Here, we provide the first information regarding the de novo transcriptome assembly of 〈em〉Aegle marmelos〈/em〉 L. fruit. The information on the fruit transcriptome sequencing data will be useful to gain a better insight into the important pathways in the 〈em〉Aegle marmelos〈/em〉 L. fruits. The data can be accessed via NCBI BioProject (id PRJNA433585).〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): Solomon Kassa, Haylay Tsegab, Chow Weng Sum, Choong CheeMeng〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Fission tracks are linear trails of intense radiation damage in the crystal structure of a mineral, produced by spontaneous fissioning of uranium-238 (〈sup〉238〈/sup〉U) atoms. Detail information on the low-temperature thermal histories of rocks, below∼120 °C for tracks in apatite and below∼350 °C for zircon, can be provided by Fission-track (FT) analysis. The purpose of this article is to present apatite and zircon fission-track data, and U–Pb granite ages that provide information about the cooling histories of a rock which can be crucial in comprehending the exhumation episodes of the study area, in particular, and the region, in general. Granite samples were collected along the same vertical profile at different elevation, 178–944 m.a.s.l. These samples were used to determine Fission-Track and crystallization ages. HeFTy software was employed to interpret the cooling histories of the samples using forward and inverse models. The inverse model was an approach of reproducing the observed data, and it was carried out only for fission-track data from the apatite grains. And it was constructed after generating a number of forward models, where in each of these models the predicted apatite fission-track parameters were compared to the measured values. The apatite fission track (AFT) and zircon fission track (ZFT) data indicated expected age trends, 〈em〉i.e.〈/em〉 the older ages at higher elevations and the younger ages at lower elevations. Similarly, the data shows that the apatite and zircon FT ages appear younger than the age of the rock crystallization. The U–Pb age in zircon consistently suggest the age of the granite is Late Triassic.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 2 July 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Dawanna S. White, Cindy J. Choy, Timothy W. Moural, Stacy E. Martin, Jing Wang, Samantha Gargaro, ChulHee Kang, Clifford E. Berkman〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The class A β-lactamase BlaC is a cell surface expressed serine hydrolase of 〈em〉Mycobacterium tuberculosis〈/em〉 (〈em〉Mtb〈/em〉), one of the causative agents for Tuberculosis in humans. 〈em〉Mtb〈/em〉 has demonstrated increased susceptibility to β-lactam antibiotics upon inactivation of BlaC; thus, making BlaC a rational enzyme target for therapeutic agents. Herein, we present the synthesis and structure-activity-relationship data for the 1st-generation library of bis(benzoyl) phosphates (〈strong〉1〈/strong〉–〈strong〉10〈/strong〉). Substituent effects ranged from σ〈sub〉p〈/sub〉 = −0.27 to 0.78 for electronic and π = −0.41 to 1.98 for hydrophobic parameters. Compounds 〈strong〉1〈/strong〉, 〈strong〉4〈/strong〉 and 〈strong〉5〈/strong〉 demonstrated the greatest inhibitory potency against BlaC in a time-dependent manner (k〈sub〉obs〈/sub〉 = 0.212, 0.324, and 0.450 mn〈sup〉−1〈/sup〉 respectively). Combined crystal structure data and mass spectrometric analysis of a tryptic digest for BlaC inactivated with 〈strong〉4〈/strong〉 provided evidence that the mechanism of inactivation by this bis(benzoyl) phosphate scaffold occurs via phosphorylation of the active-site Ser-70, ultimately leading to an aged form of the enzyme.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19304470-ga1.jpg" width="500" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): Farah Alkhatib, John-John Cabibihan, Elsadig Mahdi〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In this article, three different data sets are presented to evaluate a representative of openly accessible 3D printed prosthetic hand. The first data set includes grasping force measurements of human hand and low-cost 3D printed hand. Three grasping functions were evaluated, spherical, cylindrical, and precision grasps. The experimental test was performed using a wearable tactile sensor. The second data set includes the numerical analysis of prosthetic fingers made from Acrylonitrile Butadiene Styrene (ABS) and Polylactic Acid (PLA) materials under different carrying loads. The numerical analyses were carried out by LS-DYNA software. The files can be used for the prosthetic fingers’ evaluation and for the selection of suitable material. The third data set includes the experimental tensile test of ABS and PLA materials. The mechanical properties were calculated from the results, which can be used in the design and fabrication of products from these materials. All the datasets are available from Harvard Dataverse: https://doi.org/10.7910/DVN/GCPAIL.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): Manuela Stan, Ildiko Lung, Maria-Loredana Soran, Ocsana Opris, Cristian Leostean, Adriana Popa, Florina Copaciu, Mihaela Diana Lazar, Irina Kacso, Teofil-Danut Silipas, Alin Sebastian Porav〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In this data article, we present supplementary data related to the research article entitled “Starch-coated green synthesized magnetite nanoparticles for removal of textile dye Optilan Blue from aqueous media” Stan et al., 2019. Data interpretations are included in the related research article Stan et al., 2019. The synthesized starch-coated Fe〈sub〉3〈/sub〉O〈sub〉4〈/sub〉 nanoparticles (ST-coated Fe〈sub〉3〈/sub〉O〈sub〉4〈/sub〉 NPs) were analyzed by scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM) to illustrate the shape and surface coating of nanoparticles. Moreover, the Brunauer-Emmett-Teller (BET) technique was used to evidence starch deposition on magnetite nanoparticles. The obtained nanocomposites were used for adsorption of Optilan Blue (OB) in batch conditions and the optimum agitation speed and point of zero charge (pH〈sub〉pzc〈/sub〉) were established. After OB adsorption on ST-coated Fe〈sub〉3〈/sub〉O〈sub〉4〈/sub〉 NPs, the nanocomposites were analyzed by transmission electron microscopy (TEM), X-ray diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR). The stability of starch coated Fe〈sub〉3〈/sub〉O〈sub〉4〈/sub〉 NPs in the acidic as well as alkaline pH was also evidenced by FTIR spectroscopy. In addition, to test the stability of ST-coated Fe〈sub〉3〈/sub〉O〈sub〉4〈/sub〉 NPs, leaching experiments were carried out. The experimental data were compared with isotherm and kinetic models in order to determine the most suitable for fitting.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 1 July 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Shu-Yi Hao, Shi-Liang Feng, Xing-Rong Wang, Zhichao Wang, Shi-Wu Chen, Ling Hui〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉A series of conjugates of podophyllotoxin and coumarin were prepared using the click reaction, and their cytotoxicities against A549, HepG2, HeLa, and LoVo cells were evaluated. Among them, compound 〈strong〉14e〈/strong〉 exhibited the strongest cytotoxicities against these cancer cells with IC〈sub〉50〈/sub〉 values of 4.9–17.5 μM. Furthermore, 〈strong〉14e〈/strong〉 disrupted microtubules and induced cell cycle arrest at G1 phase by regulating P21 and Cyclin D1 in LoVo cells. In addition, 〈strong〉14e〈/strong〉 bond CT DNA and selectively inhibited Topo IIβ over Topo IIα. Molecular docking model showed that 〈strong〉14e〈/strong〉 appeared to form stable hydrogen bonds with several DNA bases and residue Gln778. Taken together, these conjugates have the potential to be developed as anti-tumor drugs.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉 〈p〉The conjugates of podophyllotoxin and coumarin disrupt the microtubules, induce cell cycle arrest in G1 phase, bind to CT DNA, and inhibit Topo-Ⅱβ in LoVo cells.〈/p〉 〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19304457-ga1.jpg" width="429" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉 〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 29 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Svetlana Vladislavl'evna Lobova, Julia Vyacheslavovna Ragulina, Aleksei Valentinovich Bogoviz, Alexander Nikolaevich Alekseev〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This paper presents a rich collection of data used to construct an energy security performance index of the eight countries of the Commonwealth of Independent States (CIS). Namely, the index covers Azerbaijan, Armenia, Belarus, Kazakhstan, Kyrgyz Republic, Russia, Tajikistan, Ukraine, Uzbekistan. The data include results of Z-score normalization of 12 distinct indicators, constituting a total of 4 dimensions of energy security performance. These dimensions are the following: energy availability (oil import dependence, coal import dependence, natural gas import dependence), energy affordability (access to electricity, pump price for gasoline, pump price for diesel fuel), energy and economic efficiency (renewable energy consumption, GDP per unit of energy use, electric power consumption), and environmental stewardship (CO〈sub〉2〈/sub〉, N〈sub〉2〈/sub〉O, and SO〈sub〉2〈/sub〉 emissions). Z-scores are calculated for 2000 and 2014, which allows to evaluate energy security performance of the CIS countries in each dimension and in total over the period of 14 years.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 29 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Liliana Anjos, Patricia I.S. Pinto, Theofania Tsironi, George Dimopoulos, Soraia Santos, Cátia Santa, Bruno Manadas, Adelino Canario, Petros Taoukis, Deborah M. Power〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Fresh fish are highly perishable food products and their short shelf-life limits their commercial exploitation and leads to waste, which has a negative impact on aquaculture sustainability. New non-thermal food processing methods, such as high pressure (HP) processing, prolong shelf-life while assuring high food quality. The effect of HP processing (600MPa, 25ºC, 5min) on European sea bass (〈em〉Dicentrarchus labrax〈/em〉) fillet quality and shelf life was investigated. The data presented comprises microbiome and proteome profiles of control and HP-processed sea bass fillets from 1 to 67 days of isothermal storage at 2°C. Bacterial diversity was analysed by Illumina high-throughput sequencing of the 〈em〉16S rRNA〈/em〉 gene in pooled DNAs from control or HP-processed fillets after 1, 11 or 67 days and the raw reads were deposited in the NCBI-SRA database with accession number PRJNA517618. Yeast and fungi diversity were analysed by high-throughput sequencing of the internal transcribed spacer (ITS) region for control and HP-processed fillets at the end of storage (11 or 67 days, respectively) and have the SRA accession number PRJNA517779. Quantitative label-free proteomics profiles were analysed by SWATH-MS (Sequential Windowed data independent Acquisition of the Total High-resolution-Mass Spectra) in myofibrillar or sarcoplasmic enriched protein extracts pooled for control or HP-processed filets after 1, 11 and 67 days of storage. Proteome data was deposited in the ProteomeXchange Consortium via the PRIDE partner repository with the dataset identifiers PXD012737. These data support the findings reported in the associated manuscript “High pressure processing of European sea bass (〈em〉Dicentrarchus labrax〈/em〉) fillets and tools for flesh quality and shelf life monitoring”, Tsironi et al. 2019, JFE 262:83-91, doi.org/10.1016/j.jfoodeng.2019.05.010.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Carsten Posovszky, Mehtap Sirin, Eva Jacobsen, Myriam Lorenz, Klaus Schwarz, Anjona Schmidt-Choudhury, Catharina Schütz, Manfred Hönig, Klaus-Michael Debatin, Ansgar Schulz, Peter Möller, Thomas F. Barth〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Major histocompatibility complex class II (MHC II) is essential for adaptive immune response. We recently reported on disturbed adaptive mucosal immunity due to MHC II deficiency and prolonged enteropathy. Here, we share medical history, flow cytometric analysis of blood lymphocytes, immunohistopathology, and fecal analysis of seven genetically confirmed patients with MHC II deficiency suffering from enteropathy. Data on flow cytometric analysis of HLA-DR expression on monocytes and B cells before hematopoietic stem cell transplantation (HSCT) and after 〈em〉in-vitro〈/em〉 stimulation is shown. The course of immune reconstitution after HSCT of MHC II deficient patients in comparison to severe combined immunodeficiency (SCID) patients is described. In addition, immunohistopathology illustrating CD4 and CD8 T cell infiltration, absence of B lymphocytes and plasma cells, and disturbed immunoglobulin expression in the gut as well as absent HLA-DR expression in the liver is shown. Furthermore, data from fecal analysis such as stool fat, nitrogen, and water fraction as well as faecal markers such as alpha-1-antitrypsin, pancreas specific elastase 1, eosinophilic protein X (EPX), and beta defensin 2 are presented. Altogether this data demonstrates the complex phenotype of MHC II deficiency. The data can be valuable for researchers interested in mucosal immunity. For further interpretation of the data presented in this article, please see the research article “Persisting enteropathy and disturbed adaptive mucosal immunity due to MHC class II deficiency”[1].〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Estefanía Alfaro Mejía, Humberto Loaiza Correa, Édinson Franco Mejía, Andrés David Restrepo Girón, Sandra Esperanza Nope Rodríguez〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉〈em〉This article presents a dataset for thermal characterization of photovoltaic systems to identify snail trails and hot spot failures. This dataset has 277 thermographic aerial images that were acquired by a Zenmuse XT IR camera (7-13〈/em〉 〈math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"〉〈mrow〉〈mi〉μ〈/mi〉〈mi〉m〈/mi〉〈/mrow〉〈/math〉 〈em〉wavelength) from a DJI Matrice 100〈/em〉 〈sup〉〈em〉1〈/em〉〈/sup〉〈em〉drone (quadcopter). Additionally, our dataset includes the next environmental measurements: temperature, wind speed, and irradiance. The experimental set up consisted in a photovoltaic array of 4 serial monocrystalline Si panels (string) and an electronic equipment emulating a real load. The conditions for images acquisition were stablished in a flight protocol in which we defined altitude, attitude, and weather conditions.〈/em〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Dongjing Li, Jianghua Liu, Yang Wang, Aixia Wu, Ruolin Ruan, Zeping Li, Zhimou Xu〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉GaN is one of the most promising materials for high PEC efficiency to produce clean, renewable hydrogen in an ecofriendly manner [1], [2], [3], [4]. Trough assays of nanoporous gallium nitride (GaN) photoelectrode, we recently demonstrated an improved PEC efficiency and photocurrent density of nanoporous GaN photoelectrode by 470 % times with respect to planar counterpart [5]. Here, we report original data acquired under UV-visible spectrometer, X-ray diffraction (XRD), room temperature PL measurements and PEC measurements, based on the characterization of different sapphire substrate, different GaN samples and different GaN photoelectrodes. The optical properties and photoelectrochemical properties of the corresponding samples and possible mechanisms are presented, which is freely available [5]. The data can be valuable for researchers interested in photoelectrochemical water splitting, as well as to researchers developing fabrication of nanoporous photoelectrode. For more insight please see the research article “A nanoporous GaN photoelectrode on patterned sapphire substrates for high-efficiency photoelectrochemical water splitting”, 〈a href="https://doi.org/10.1016/j.jallcom.2019.06.234" target="_blank"〉https://doi.org/10.1016/j.jallcom.2019.06.234〈/a〉.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 29 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Zhanni Luo, Yu Wang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Data in this article revealed the eye movement differences of visualizers and verbalizers in viewing four pictures-in-text by analyzing gaze path and fixation data (fixation duration, fixation counts and the average time on each fixation). After imported the documents into Tobii eye-tracker, authors triggered participants’ natural reading habits, recorded their eye movement data, and predicted participants as visualizers or verbalizers based on the Felder and Silverman Learning Style Model (FSLSM). Comparing the predictions with self-report results tested by the Index of Learning Styles (ILS) questionnaire, authors got the accuracy results of using eye-tracking technology in identifying visualizers and verbalizers. The data revealed natural preferences of people with different styles, and it can be used in future studies in the field of adaptive learning systems, individual differences, neuroscience in reading habits, and individualized instruction.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Nicholas A. Howell, Jack V. Tu, Rahim Moineddin, Hong Chen, Anna Chu, Perry Hystad, Gillian L. Booth〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Individuals’ risk for cardiovascular disease is shaped by lifestyle factors such as participation in physical activity. Some studies have suggested that rates of physical activity may be higher in walkable neighborhoods that are more supportive of engaging in physical activity in daily life. However, walkable neighborhoods may also contain increased levels of traffic-related air pollution (TRAP). Traffic-related air pollution, often measured through a surrogate marker (e.g. NO〈sub〉2〈/sub〉) has been associated cardiovascular disease risk and risk factors [1], [2], [3], [4]. The higher levels of TRAP in walkable neighborhoods may in turn increase the likelihood of developing conditions like hypertension and diabetes. Our recent work assessed how walkability and TRAP jointly affect the odds of diabetes and hypertension in a sample of community-dwelling adults from Southern Ontario, Canada [5]. This article contains additional data on the probability and odds of hypertension and diabetes among different populations according to their walkability and TRAP exposures. Data on cardiovascular risk factors were collected using health administrative databases and environmental exposures were assessed using national land use regression models predicting ground level concentrations of NO〈sub〉2〈/sub〉 and validated walkability indices. The included data were generated using logistic regression accounting for exposures, covariates, and neighborhood clustering. These data may be used as primary data in future health risk assessments and systematic reviews, or to aid in the design of studies examining interactions between built environment and TRAP exposures (e.g. sample size calculations).〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Phillip S. Grant, Nils Kahlcke, Karan Govindpani, Morag Hunter, Christa MacDonald, Margaret A. Brimble, Michelle Glass, Daniel P. Furkert〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The cannabinoid-1 receptor (CB1R) inverse agonist SR141716A has proven useful for study of the endocannabinoid system, including development of divalent CB1R ligands possessing a second functional motif attached via a linker unit. These have predominantly employed the C3 position of the central pyrazole ring for linker attachment. Despite this precedent, a novel series of C3-linked CB1R-D2R divalent ligands exhibited extremely high affinity at the D2R, but only poor affinity for the CB1R. A systematic linker attachment point survey of the SR141716A pharmacophore was therefore undertaken, establishing the C5 position as the optimal site for linker conjugation. This linker attachment survey enabled the identification of a novel divalent ligand as a lead compound to inform ongoing development of high-affinity CB1R molecular probes.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X1930589X-ga1.jpg" width="500" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): István Ledneczki, Zsolt Némethy, Pál Tapolcsányi, János Éles, István Greiner, Eszter Gábor, Balázs Varga, Ottilia Balázs, Viktor Román, György Lévay, Sándor Mahó〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉To further proceed with our previous work, novel steroid-based histamine H〈sub〉3〈/sub〉 receptor antagonists were identified and characterized. Using an ’amine-to-amide’ modification strategy at position 17, 〈em〉in vitro〈/em〉 and 〈em〉in vivo〈/em〉 potent monoamino steroid derivatives were found during the lead optimization. Usage of the non-basic amide moiety resulted in beneficial effects both in activity and selectivity. The 15α-carboxamido derivative 〈strong〉10〈/strong〉 was not only highly active at human and rat H〈sub〉3〈/sub〉 receptors, but also showed negligible activity at rat muscarinic receptors. Furthermore, it proved to be considerably stable in human and rat microsomes and showed significant 〈em〉in vivo〈/em〉 potency in the pharmacodynamic rat dipsogenia test and in the water-labyrinth cognitive model. Based on all of these considerations, compound 〈strong〉10〈/strong〉 was appointed to be a preclinical candidate.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19305888-ga1.jpg" width="500" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 29 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Lidia A. Baltina, Yan-Ting Tasi, Su-Hua Huang, Hsueh-Chou Lai, Lia A. Baltina, Svetlana F. Petrova, Marat S. Yunusov, Cheng-Wen Lin〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Dengue virus (DENV) is one of the most geographically distributed pathogenic flaviviruses transmitted by mosquitoes 〈em〉Aedes sps.〈/em〉 In this study, the structure-antiviral activity relationships of Glycyrrhizic acid (GL) derivatives was evaluated by the inhibitory assays on the cytopathic effect (CPE) and viral infectivity of DENV type 2 (DENV2) in 〈em〉Vero〈/em〉 E6 cells. GL (96% purity) had a low cytotoxicity to Vero E6 cells, inhibited DENV2-induced CPE, and reduced the DENV-2 infectivity with the IC50 of 8.1 μM. Conjugation of GL with amino acids or their methyl esters and the introduction of aromatic acylhydrazide residues into the carbohydrate part strongly influenced on the antiviral activity. Among compounds tested GL conjugates with isoleucine 〈strong〉13〈/strong〉 and 11-aminoundecanoic acid 〈strong〉17〈/strong〉 were found as potent anti-DENV2 inhibitors (IC50 1.2-1.3 μM). Therefore, modification of GL is a perspective way in the search of new antivirals against DENV2 infection.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19305906-ga1.jpg" width="345" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Rong-Hong Zhang, Shan Wang, Hong Zhang, Guo-Bo Xu, Yong-Long Zhao, Rui Li, Rong-Hua Luo, Yong-Jun Li, Yong-Lin Wang, Guoyi Yan, Shang-Gao Liao, Meng Zhou〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Viral infectivity factor (Vif) is one of the accessory protein of human immunodeficiency virus type I (HIV-1) that inhibits host defense factor, APOBEC3G (A3G), mediated viral cDNA hypermutations. Previous work developed a novel Vif inhibitor 2-amino-〈em〉N〈/em〉-(2-methoxyphenyl)-6-((4-nitrophenyl)thio)benzamide (〈strong〉1〈/strong〉) with strong antiviral activity. Through optimizations on the two side branches, a series of compound 〈strong〉1〈/strong〉 derivatives (〈strong〉2〈/strong〉–〈strong〉18〈/strong〉) were designed, synthesized and tested 〈em〉in vitro〈/em〉 for their antiviral activities. The biological results showed that compound 〈strong〉5〈/strong〉 and 〈strong〉16〈/strong〉 inhibited the virus replication efficiently with EC〈sub〉50〈/sub〉 values of 9.81 and 4.62 μM. Meanwhile, low cytotoxicities on H9 cells were observed for the generated compounds by the MTT assay. The structure–activity relationship of compound 〈strong〉1〈/strong〉 was preliminarily clarified, which gave rise to the development of more potent Vif inhibitors.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19305839-ga1.jpg" width="268" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 20 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Ronik Khachatoorian, Ewa D. Micewicz, Alina Micewicz, Samuel W. French, Piotr Ruchala〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Zika virus (ZIKV) has become a public health concern worldwide due to its association with congenital abnormalities and neurological diseases. To date, no effective vaccines or antiviral drugs have been approved for the treatment of ZIKV infection, and new inexpensive therapeutic options are urgently needed. In this study, we have used an 〈em〉in vitro〈/em〉 plaque assay to assess an antiviral activity of the second generation of anti-ZIKV compounds, based on 1,3-disubstituted (thio)urea scaffold. Several compounds in the library were found to possess excellent activity against Zika virus with IC〈sub〉50〈/sub〉 values 〈200 pM. The most active analog, A5 exhibited an exceptional IC〈sub〉50〈/sub〉=85.1±1.7 pM. Further analysis delineated structural requirements necessary for potent antiviral effects of this class of compounds. Collectively, our findings suggest that 1,3-disubstituted (thio)urea derivatives are excellent preclinical candidates for the development of anti-ZIKV therapeutics.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19305682-ga1.jpg" width="500" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 20 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Nazmul H. Bhuiyan, Michelle L. Varney, Deep S. Bhattacharya, William M. Payne, Aaron M. Mohs, Sarah A. Holstein, David F. Wiemer〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The enzyme geranylgeranyl diphosphate synthase (GGDPS) is a potential therapeutic target for multiple myeloma. Malignant plasma cells produce and secrete large amounts of monoclonal protein, and inhibition of GGDPS results in disruption of protein geranylgeranylation which in turn impairs intracellular protein trafficking. Our previous work has demonstrated that some isoprenoid triazole bisphosphonates are potent and selective inhibitors of GGDPS. To explore the possibility of selective delivery of such compounds to plasma cells, new analogues with an ω-hydroxy group have been synthesized and examined for their enzymatic and cellular activity. These studies demonstrate that incorporation of the ω-hydroxy group minimally impairs GGDPS inhibitory activity. Furthermore conjugation of one of the novel ω-hydroxy GGDPS inhibitors to hyaluronic acid resulted in enhanced cellular activity. These results will allow future studies to focus on the 〈em〉in vivo〈/em〉 biodistribution of HA-conjugated GGDPS inhibitors.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X1930575X-ga1.jpg" width="500" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Mingyi Chen, Ouyang Dongxu, Jiahao Liu, Jian Wang〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The data presented in this article are related to research article “Investigation on thermal and fire propagation behaviors of multiple lithium-ion batteries within the package” [1]. This data article provides the data information including the experiment pictures, flame temperatures, pressure and heat flux sensors temperatures, and gas concentrations of 6×6 batteries and 10×10 batteries. The video of the whole thermal and fire propagation behaviors of 6×6 batteries is also provided.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Yahaya Gavamukulya, Esther N. Maina, Amos M. Meroka, Hany A. El-Shemy, Gabriel Magoma, Fred Wamunyokoli〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In this article, we present data on the anticancer activities of green synthesized silver nanoparticles (AgNPs) from ethanolic extracts of fruits (AgNPs-F) and leaves (AgNPs-L) of 〈em〉Annona muricata〈/em〉 and standard anticancer drug 5-Fluorouracil (5-FU) on two cancer cell lines, i.e. cervical adenocarcinoma (HeLa cells) and prostate adenocarcinoma (PC3 cells) as well as on an immortalized normal prostate cell line, PNT1A. The cytotoxicity on the cells was determined by measuring the absorbance signal of resazurin dye. It has long been known that metabolically active cells change the resazurin from blue (oxidized) to red (reduced) forms, corresponding to the absorbance signals at a wavelength of 570nm (A570) and 600nm (A600) respectively, from which therefore the effects of any treatments on percentage cell viability/death can be elucidated. The raw data values of the treatments against the HeLa, PC3 and PNT1A cells are shown in the different Tables. Examples of how the data can be analyzed have been illustrated using different growth inhibition curves. The data can be used by academics, students, and researchers working on development of anticancer drugs.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Jaeyres Jani, Zainal Arifin Mustapha, Norfazirah Binti Jamal, Cheronie Shely Stanis, Chin Kai Ling, Richard Avoi, Naing Oo Tha, Valentine Gantul, Daisuke Mori, Kamruddin Ahmed〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉A 〈em〉Mycobacterium tuberculosis〈/em〉 strain SBH162 was isolated from a 49-year-old male with pulmonary tuberculosis. GeneXpert MDR/RIF identified the strain as rifampicin-resistant 〈em〉M. tuberculosis〈/em〉. The whole genome sequencing was performed using Illumina HiSeq 4000 system to further investigate and verify the mutation sites of the strain through genetic analyses namely variant calling using bioinformatics tools. The 〈em〉de novo〈/em〉 assembly of genome generated 100 contigs with N50 of 156,381bp. The whole genome size was 4,343,911 bp with G+C content of 65.58% and consisted of 4,306 predicted genes. The mutation site, S450L, for rifampicin resistance was detected in the 〈em〉rpoB〈/em〉 gene. Based on the phylogenetic analysis using the Maximum Likelihood method, the strain was identified as belonging to the Europe America Africa lineage (Lineage 4). The genome dataset has been deposited at DDBJ/ENA/GenBank under the accession number SMOE00000000.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 29 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Alexander Matul, Andrea Abelmann, Rainer Gersonde〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉We present an extensive dataset on the modern radiolarian distribution in new samples of the surface sediments from the North Pacific and Bering Sea north of 38°N. Samples came from the RV Sonne cruises SO201-2 and SO202-1 in 2009 within the KALMAR II and INOPEX projects [1], [2]. We have analyzed 46 surface sediment samples from the multicorers following the standard laboratory treatment, preparation of the micropaleontological slides, and counting of the radiolarian tests under the microscope [3], [4]. List of species consists of two hundred eight radiolarian taxa. During the routine counting, we made the microphotographs of radiolarians. Our dataset consists of three data files: 1) coordinates of stations, 2) list of the radiolarian taxa with microphotographs, 3) data on the raw counts of the radiolarian tests per 1 slide, and calculated total radiolarian abundances and taxa percentages.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Hongjia Zhang, Antoine Jérusalem, Enrico Salvati, Chrysanthi Papadaki, Kai Soon Fong, Xu Song, Alexander M. Korsunsky〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Diffraction data were collected using synchrotron X-ray scattering (sXRD) and electron back-scattered diffraction (EBSD) during 〈em〉in situ〈/em〉 tensile-compressive deformation of Mg alloy AZ31B dogbone samples. The onset and evolution of twinning and detwinning were monitored based on intensity changes in sXRD 2D scattering patterns (which also provided average elastic strain values through the calculation of orientation-specific lattice spacing changes), and EBSD, that revealed the micro-scale grain morphology changes. The observations were interpreted and analysed with the help of crystal plasticity finite element modelling (CP-FEM), as reported in the published article (https://doi.org/10.1016/j.ijplas.2019.02.018).〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Adnan Amin-Safwan, Mohd Pauzi Mardhiyyah, Mohd Affendi Izzah-Syafiah, Harman Muhd-Farouk, Hidayah Manan, Hairul Hafiz Mahsol, Musa Nadirah, Mhd Ikhwanuddin〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This article investigated how crabs responded to different culture salinities through ovarian maturation stages using combination of external morphology (ovarian coloration and gonadosomatic index), and histological assessment (oocyte structures and diameter sizes). A total of sixty immature crabs were sampled from coastal water of Setiu Wetlands, Kuala Nerus, Terengganu, Peninsular Malaysia, and were introduced to limb autotomy technique in order to induce molt. Crabs were reared until successfully molted, and leaves prior to hardened shell, before proceed with salinities acclimatization prior to salinity treatments (10, 20 and 30 ppt). Five crabs were randomly selected every 15 days throughout 60-day of culture (Day 15, 30, 45 and 60) for the assessment. The different between each ovarian maturation stages was recorded based on the color appearances, and Kruskal-Wallis analysis were done between gonadosomatic index and oocyte diameter sizes with different salinity treatments. Part of the data is associated with the recent articles [1], [2] and provided here as raw data of Supplementary materials.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 20 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Joseph A. Hakim, Casey D. Morrow, Stephen A. Watts, Asim K. Bej〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉We present high-throughput amplicon sequence (HTS) datasets of the microbial metacommunity DNA of the gut tissue and the gut digesta of naturally occurring (〈em〉n〈/em〉 = 3) and laboratory aquaculture (〈em〉n〈/em〉 = 2) green sea urchins, 〈em〉Lytechinus variegatus.〈/em〉 The HTS datasets were generated on an Illumina MiSeq by targeting the amplicons of the V4 region of the 16S rRNA gene. After the raw sequences were quality checked and filtered, 88% of the sequence reads were subjected to bioinformatics analyses to generate operation taxonomic units (OTUs), which were then verified for saturation by using rarefaction analysis at a 3% sequence variation. Further, the OTUs were randomly subsampled to the minimum sequence count values. Then, the FASTA-formatted representative sequences of the microbiota were assigned taxonomic identities through multiple databases using the SILVA ACT: Alignment, Classification and Tree Service (〈a href="http://www.arb-silva.de/aligner" target="_blank"〉www.arb-silva.de/aligner〈/a〉). The HTS datasets of this metagenome can be accessed from the BioSample Submission Portal (〈a href="https://www.ncbi.nlm.nih.gov/bioproject/" target="_blank"〉https://www.ncbi.nlm.nih.gov/bioproject/〈/a〉〈u〉)〈/u〉 under the BioProject IDs PRJNA291441 and PRJNA326427.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 20 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Michael M. Wormald, Glen Ernst, Huijun Wei, James C. Barrow〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Inositol hexakisphosphate kinases (IP6Ks) have been increasingly studied as therapeutically interesting enzymes. IP6K isoform specific knock-outs have been used to successfully explore inositol pyrophosphate physiology and related pathologies. A pan-IP6K inhibitor, 〈em〉N〈/em〉2-(m-trifluorobenzyl)-〈em〉N〈/em〉6-(p-nitrobenzyl) purine (TNP), has been used to confirm phenotypes observed in genetic knock-out experiments; however, it suffers by having modest potency and poor solubility making it difficult to handle for 〈em〉in vitro〈/em〉 applications in the absence of DMSO. Moreover, TNP’s pan-IP6K inhibitory profile does not inform which IP6K isoform is responsible for which phenotypes. In this report we describe a series of purine-based isoform specific IP6K1 inhibitors. The lead compound was identified after multiple rounds of SAR and has been found to selectively inhibit IP6K1 over IP6K2 or IP6K3 using biochemical and biophysical approaches. It also boasts increased solubility and IP6K1 potency over TNP. These new compounds are useful tools for additional assay development and exploration of IP6K1 specific biology.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19305700-ga1.jpg" width="500" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 20 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Lee McDermott, David Koes, Shabber Mohammed, Prema Iyer, Melissa Boby, Venkatakrishnan Balasubramanian, Mackenzie Geedy, William Katt, Richard Cerione〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Allosteric inhibitors of glutaminase (GAC), such as BPTES, CB-839 and UPGL00019, have great promise as inhibitors of cancer cell growth, but potent inhibitors with drug-like qualities have been difficult to achieve. Here, a small library of GAC inhibitors based on the UPGL00019 core is described. This set of derivatives was designed to assess if one or both of the phenylacetyl groups flanking the UPGL00019 core can be replaced by smaller simple aliphatic acyl groups without loss in potency. We found that one of the phenylacetyl moieties can be replaced by a set of small aliphatic moieties without loss in potency. We also found that enzymatic potency co-varies with the VDW volume or the maximum projection area of the groups used as replacements of the phenylacetyl moiety and used literature X-ray data to provide an explanation for this finding.〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19305748-ga1.jpg" width="500" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 29 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Ilya E. Nifant'ev, Andrey V. Shlyakhtin, Maxim A. Kosarev, Pavel D. Komarov, Stanislav G. Karchevsky, Pavel V. Ivchenkoa〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The data presented in this paper are related to the research article entitled "Mechanistic study of transesterification in TBD-catalyzed ring-opening polymerization of methyl ethylene phosphate" [1]. In this data article, we present 3D molecular information of 76 structures for TBD-catalyzed transformations of methyl ethylene phosphate (MeOEP) and trimethyl phosphate (TMP). We also present 3D molecular information for 24 complexes that model the reaction profile of transesterification of poly(MeOEP) and TMP catalyzed by 2,6-di-〈em〉tert〈/em〉-butyl-4-methylphenoxy magnezium species, complementing the article "Mechanistic insights of BHT-Mg-catalyzed ethylene phosphate’s coordination ring-opening polymerization: DFT modeling and experimental data" [2]. The data contains stationary points and transition states (TS) along the first propagation step of MeOEP ring-opening polymerization (ROP) for alternative amide and donor-acceptor mechanisms, initiated by EtOH in the presence of TBD; stationary points and TS for MeOH and HOCH〈sub〉2〈/sub〉CH〈sub〉2〈/sub〉OP(O)(OMe)〈sub〉2〈/sub〉 initiated ROP of MeOEP; and stationary points and TS for transesterification of poly(MeOEP) and TMP. In addition, the data contains stationary points and transition states for the ROP of MeOEP and transesterification of poly(MeOEP) and TMP catalyzed by 2,6-di-〈em〉tert〈/em〉-butylphenoxy magnesium complex. The data are provided in a PDB format that can be used for further studies.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Shaokun He, Shenglian Guo, Kebing Chen, Lele Deng, Zhen Liao, Feng Xiong, Jiabo Yin〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The dataset contains reservoir characteristic parameters, streamflow series of reservoirs in the upper Yangtze River, the standard operating rules (SORs) and the seasonal top of buffer pools (seasonal TBPs) for these reservoirs, which were provided by the Yangtze River Commission. Moreover, annual hydropower of these reservoirs is tested to evaluate operation performance. These research materials are related to the research article in 〈em〉Advances in Water Resources〈/em〉, entitled ‘Optimal impoundment operation for cascade reservoirs coupling parallel dynamic programming with importance sampling and successive approximation’ [1]. The dataset could be used to derive optimal operating rules to explore the potential benefits of water resources via our proposed algorithm (importance sampling – parallel dynamic programming, IS-PDP) in different runoff scenarios. It can also be further applied for water resources management and other potential users.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 28 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Ibrahim Sadek, Penny Chong, Shafiq Ul Rehman, Yuval Elovici, Alexander Binder〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This article presents a dataset for studying the detection of obfuscated malware in volatile computer memory. Several obfuscated reverse remote shells were generated using Metasploit-Framework, Hyperion, and PEScrambler tools. After compromising the host, Memory snapshots of a Windows 10 virtual machine were acquired using the open-source Rekall's WinPmem acquisition tool. The dataset is complemented by memory snapshots of uncompromised virtual machines. The data includes a reference for all running processes as well as a mapping for the designated malware running inside the memory. The datasets are available in the article, for advancing research towards the detection of obfuscated malware from volatile computer memory during a forensic analysis.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 26〈/p〉 〈p〉Author(s): Natal Henrique Cordeiro, Emerson Carlos Pedrino〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This paper presents in detail the methodology for the detection and tracking of dynamic objects from the article in press (A new methodology applied to dynamic object detection and tracking systems for visually impaired people [1]). In order to validate this methodology, four different architectures have been designed in this paper. These architectures have implemented the techniques of pattern recognition, optical flow, background subtraction and color tracking to enable comparison and to see which is the most appropriate in a given environment. In this paper we also present a method created to quantify the effectiveness of each architecture implemented.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 21 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Riccardo Mel, Luca Carniello, Luigi D'Alpaos〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉 〈p〉This data article includes the dataset of wind setup in the Venice lagoon computed by means of a 2-D hydrodynamic model. The capability of the model to reproduce the hydrodynamic regime of the lagoon has been extensively investigated, with particular attention to the calibration of the wind shear stress at the water surface, in order to precisely characterize the contribute of wind setup on the water level estimation inside the lagoon.〈/p〉 〈p〉We analyze the wind setup induced considering all the reliable wind speeds (with step of 1 m/s) and wind directions (with step of 30°) potentially blowing over the Venice lagoon, comparing the results obtained considering the present not-regulated configuration of the lagoon (pre-Mo.S.E. scenario) to the regulated configuration (post-Mo.S.E. scenario), which refers to the hydrodynamic regime when the Mo.S.E. movable barriers will be operational. The analysis shows that the wind setup significantly increases when the gates at the three inlets of the Venice lagoon are regulated, up to exceeding four times the pre-Mo.S.E. scenario. We deem this result is of paramount importance for the management of the Mo.S.E. barriers and for the definition of their operating strategy aiming at preventing the flooding at all the urban settlements of the lagoon.〈/p〉 〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 22 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Dalia Daggag, Jovian Lazare, Tandabany Dinadayalane〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In this data article, M06-2X/6-31G(d) level optimized geometries of complexes of tyrosine conformers binding with graphene sheets are shown in top and side views with selected non-bonding distances. The images of frontier molecular orbitals from HOMO-15 to LUMO+15 of the complexes involving graphene with tyrosine conformers are presented and the isovalue is 0.003 au. For some complexes involving small graphene, the orbitals are from HOMO-5 to LUMO+5. The molecular orbitals highlighted with frames show obvious overlaps between the fragments. Total energies of small and large graphene (〈strong〉G〈/strong〉〈sub〉〈strong〉S〈/strong〉〈/sub〉 and 〈strong〉G〈/strong〉〈sub〉〈strong〉L〈/strong〉〈/sub〉) and selected tyrosine conformers in gas and aqueous phases obtained at M06-2X/6-31G(d) level are given. The data also include total energies of all complexes in the gas phase and the aqueous phase, binding energies, BSSE (basis set superposition error) correction, and BSSE-corrected binding energies in gas phase and solvation effect on the binding energies obtained at M06-2X/6-31G(d) level. Mulliken charges of tyrosine conformers in gas and aqueous phases, and the deformation energy for tyrosine and graphene in the gas phase complexes are provided. The values of the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) and HOMO-LUMO energy gaps for some of graphene-tyrosine complexes that were not reported in the article [1] are given. The data is related to the research article “Conformation dependence of tyrosine binding on the surface of graphene: Bent prefers over parallel orientation” [1].〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 21 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Luis Andrés Leal, Dayana Donneys-Victoria, Fiderman Machuca-Martínez〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉 〈p〉Electrocoagulation consists of the in-situ generation of the coagulant by the electro dissolution of sacrificial electrodes (Mg and Al). This technique, besides being normally used for water treatment, can be used to synthesize Layered Double Hydroxides (LDH) or Hydrotalcites (HT) such as green rust, MgAlCl/LDH, and other oxides as Magnetite. The HT has a high tendency for water in the interlayer to be replaced by anions, these exchange characteristics generate a high interest in the fields of drug administration, photodegradation, catalyst supports, supercapacitors, and water oxidation. There are several routes of synthesis for these compounds such as co-precipitation, hydrolysis of urea, hydrothermal treatment and a novel route by electrocoagulation (EC).〈/p〉 〈p〉This work discloses the data of the energy consumption at laboratory-scale production in the synthesis of hydrotalcite (HT) or Layered Double Hydroxides (LDH) by electrocoagulation, the values obtained through these experiments are intended to provide support due to the lack of information on the energy consumption of this novel production method. Aluminum and AZ31 electrodes were used as a cations source during two- and four-hours operation, at 50 °C with 5 mA cm〈sup〉−2〈/sup〉 of current density, and 5 minutes of polarity change for Aluminum and 8 minutes for AZ31 (Magnesium alloy).〈/p〉 〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 21 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Bioorganic & Medicinal Chemistry Letters〈/p〉 〈p〉Author(s): Tomoaki Anabuki, Yusuke Ito, Keisuke Ohashi, Taichi E. Takasuka, Hideyuki Matsuura, Kosaku Takahashi〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Target protein identification of bioactive small molecules is one of the most important research in forward chemical genetics. The affinity chromatography technique to use a resin bound with a small molecule is often used for identification of a target protein of a bioactive small molecule. Here we report a new method to isolate a protein targeted with a bioactive small molecule using a biotin linker with alkyne and amino groups, protein cross-linker containing disulfide bond, and a bioactive small molecule with an azido group (azido probe). After an azido probe is associated with a target protein, the complex of a target protein and azido probe is covalently bound through the biotin linker by azide-alkyne Huisgen cycloaddition and protein cross-linker containing disulfide bond. This ternary complex is immobilized on an affinity matrix with streptavidin, and then the target protein is selectively eluted with a buffer containing a reducing agent for cleavage of disulfide bonds. This method uses a probe having an azido group, which a small functional group, and has the possibility to be a solution strategy to overcome the hindrance of a functional group introduced into the probe that reduces association a target protein. The effectiveness of the method in this study was shown using linker 〈strong〉1〈/strong〉, 3’-azidoabscisic acid 〈strong〉3〈/strong〉, and protein cross-linker containing a disulfide bond (DTSSP 〈strong〉5〈/strong〉).〈/p〉〈/div〉 〈/div〉 〈div xml:lang="en"〉 〈h5〉Graphical abstract〈/h5〉 〈div〉〈p〉〈figure〉〈img src="https://ars.els-cdn.com/content/image/1-s2.0-S0960894X19305761-ga1.jpg" width="500" alt="Graphical abstract for this article" title=""〉〈/figure〉〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 19 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Camilo Montes, Andres Felipe Rodriguez-Corcho, German Bayona, Natalia Hoyos, Sebastian Zapata, Agustin Cardona〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This contribution contains a GPlates digital reconstruction of the northern Andes and southern Caribbean margin for the last 90 Ma. It is built using different strain datasets fully described in “Continental Margin Response to Multiple Arc-Continent Collisions: the Northern Andes-Caribbean Margin” [1]. Two digital reconstructions are included here: one is a rigid block reconstruction, and the other is a continuously closing polygon reconstruction digitized every one -million years. We placed the South and North American plates at the root of the reconstruction tree, so that the Andean blocks move with respect to the former, and the Caribbean Plate, and related intra-oceanic arcs with respect to the latter. These reconstructions can be used as templates to place in palinspastic space any dataset that can be represented by lines or points.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 19 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Han Liu, Peng Li, Jin Liu, Ziqi Lu, Ping Tang, Zhaojia Li, Baoqin Lin〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The data presented herein are related to the research article entitled “Danhong Huayu Koufuye prevents venous thrombosis through antiinflammation via Sirtuin 1/NF-κB signaling pathway” [1]. This article describes the effect of Danhong Huayu Koufuye (DHK) on thrombus weight and blood coagulation indexes at the early and late stages of inferior vena cava stenosis-induced deep vein thrombosis in rats. In addition, the effect of DHK on blood cell counts and whole blood viscosity at the early stage were presented. The field dataset is made publicly available to enable critical or extended analyses.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 19 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Jorge Parraga-Alava, Kevin Cusme, Angélica Loor, Esneider Santander〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉In this article we introduce a 〈em〉robusta〈/em〉 coffee leaf images dataset called RoCoLe. The dataset contains 1560 leaf images with visible red mites and spots (denoting coffee leaf rust presence) for infection cases and images without such structures for healthy cases. In addition, the data set includes annotations regarding objects (leaves), state (healthy and unhealthy) and the severity of disease (leaf area with spots). Images were all obtained in real-world conditions in the same coffee plants field using a smartphone camera. RoCoLe data set facilitates the evaluation of the performance of machine learning algorithms used in image segmentation and classification problems related to plant diseases recognition. The current dataset is freely and publicly available at 〈a href="https://doi.org/10.17632/c5yvn32dzg.2" target="_blank"〉https://doi.org/10.17632/c5yvn32dzg.2〈/a〉.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 19 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): S. Ghisaura, R. Melis, G. Biosa, D. Pagnozzi, H. Slavski, S. Uzzau, R. Anedda, M.F. Addis〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉 〈p〉We report the proteomic dataset of livers from 〈em〉Sparus aurata〈/em〉 exposed to low temperature during growth. Gilthead sea bream juveniles were reared in Recirculating Aquaculture Systems (RAS) and exposed to a temperature ramp made of two phases of four weeks each: a Cooling phase from 18 °C (t0) to 11 °C (t1) and a Cold Maintenance phase at 11 °C (t1-t2) in a 8 week feeding trial. At the end of the experiment, sea bream livers were collected and analyzed with a shotgun proteomics approach based on filter-aided sample preparation followed by tandem mass spectrometry, peptide identification carried out using Sequest-HT as search engine within the Proteome Discoverer informatic platform, and label-free differential analysis.〈/p〉 〈p〉The mass spectrometry data have been deposited to the ProteomeXchange Consortium via the PRIDE partner repository with the dataset identifier PXD011059 [1], [2], [3]. The dataset described here is also related to the research article entitled “Liver proteomics of gilthead sea bream (〈em〉Sparus aurata〈/em〉) exposed to cold stress” [4].〈/p〉 〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 19 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Maria João Rodrigues, Ivo Monteiro, Chloé Placines, Viana Castañeda-Loaiza, Sylwester Ślusarczyk, Adam Matkowski, Catarina Pereira, Pedro Pousão-Ferreira, Luísa Custódio〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This data article includes data and analyses on the effect of different agronomic techniques on the production of 〈em〉Polygonum maritimu〈/em〉m L. (sea knotgrass), namely different salinity irrigation treatments (0, 100, 200, 300 and 600 mM of NaCl) and a multi-harvest regime, and their relation with the chemical profile (ultra-high-resolution mass spectrometry - UHRMS), 〈em〉in vitro〈/em〉 antioxidant [radical-scavenging activity (RSA) of DPPH and ABTS, copper chelating activity and ferric reducing antioxidant power] and anti-inflammatory (nitric oxide reduction on lipopolysaccharide-stimulated macrophages) activities. For further interpretation of the data presented in this work, please see the related research article “The irrigation salinity and harvesting affect the growth, chemical profile and biological activities of 〈em〉Polygonum maritimum〈/em〉 L.” (Rodrigues et al., 2019).〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 25〈/p〉 〈p〉Author(s): Aldobenedetto Zotti, Simona Zuppolini, Anna Borriello, Mauro Zarrelli〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The following data describe the thermal properties of two different typologies of Hyperbranched Polymers (HBPs): the first one is a polyester (HBPG – Hyperbranched Polymer Glassy) with a glass transition temperature (T〈sub〉g〈/sub〉) higher than room temperature (∼90 °C) whereas the second one is a polyamide ester (HBPR – Hyperbranched Polymer Rubbery) characterized by T〈sub〉g〈/sub〉 of about 20 °C. The nanocomposites manufactured using these HBPs as filler were characterized using Optical Microscopy and Differential Scanning Calorimetry. The raw data for the evaluation of fracture toughness properties are reported for the listed materials. This article provides data related to “The effect of Glassy and Rubbery Hyperbranched Polymers as Modifiers in Epoxy Aeronautical Systems” (Zotti et al.).〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 20 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Sangyeob Lee, Jiseong Jang, Kyung Soo Cho, Yong-Jun Oh, Ki-Ha Hong, Choong-Heui Chung〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The authors have recently reported silver nanowire based Cu(In,Ga)Se〈sub〉2〈/sub〉 solar cells [1], [2]. Metal mesh based transparent electrodes other than the silver nanowire can be also employed or have a potential to provide a better performance for the solar cells. To select a suitable electrode for a solar cell among metal meshes, it is required to have data on the lateral collection length of charge carriers in the targeted cell. The method to determine the lateral collection has been reported in our previous publication [3]. Here, we report data on the effect of the light intensity during pre-white-light soaking on the lateral charge collection length for metal mesh transparent electrode based Cu(In,Ga)Se〈sub〉2〈/sub〉 solar cells.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 21 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Ruoyu Ma, Jianbo Yang, Steven Kelley, Benjamin W. Gung〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉The shared data is the unpublished portion of the experimental section for the article with the title “NHC–Au(I) catalyzed enantioselective intramolecular [4 + 3] cycloaddition of furan propargyl esters”.[1] The preparation of the intermediates for chiral NHC-gold(I) complexes and the furan propargyl ester substrates are included in this article. The 〈sup〉1〈/sup〉H NMR and 〈sup〉13〈/sup〉C NMR spectra of the gold complexes 〈strong〉17a-19c〈/strong〉 and the X-ray crystal data of 〈strong〉17a〈/strong〉, 〈strong〉18a〈/strong〉 and cycloaddition product 〈strong〉24〈/strong〉 are also provided in this article or in Mendeley Data. Finally, the chiral HPLC spectra used to determine enantiomeric excess and Cartesian coordinates of the optimized structure of 〈strong〉25〈/strong〉 and 〈strong〉26〈/strong〉 calculated by DFT calculation are also presented in the article.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 20 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Sourav Saha, Lewis A. Owen, Elizabeth N. Orr, Marc W. Caffee〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉A comprehensive analysis of the variable temporal and spatial responses of tropical-subtropical high-altitude glaciers to climate change is critical for successful model predictions and environmental risk assessment in the Himalayan-Tibetan orogen. High-frequency Holocene glacier chronostratigraphies are therefore reconstructed in 79 glaciated valleys across the orogen using 519 published and 16 new terrestrial cosmogenic 〈sup〉10〈/sup〉Be exposure age dataset. Published 〈sup〉10〈/sup〉Be ages are compiled only for moraine boulders (excluding bedrock ages). These ages are recalculated using the latest ICE-D production rate calibration database and the scaling scheme models. Outliers for the individual moraine are detected using the Chauvenet's criterion. In addition, past equilibrium-line altitudes (ELAs) are determined using the area-altitude (AA), area accumulation ratio (AAR), and toe-headwall accumulation ratio (THAR) methods for each glacier advance. The modern maximum elevations of lateral moraines (MELM) are also used to estimate modern ELAs and as an independent check on mean ELAs derived using the above three methods. These data may serve as an essential archive for future studies focusing on the cryospheric and environmental changes in the Himalayan-Tibetan orogen. A more comprehensive analysis of the published and new 〈sup〉10〈/sup〉Be ages and ELA results and an exhaustive list of references are presented in Saha et al. (2019, High-frequency Holocene glacier fluctuations in the Himalayan-Tibetan orogen. Quaternary Science Reviews).〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 20 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Olga Bukato, Olga Pobeguts, Daria Rakitina, Julia Baikova, Ivan Butenko, Artemy Silantyev, Gleb Fisunov, Vadim Govorun〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Crohn's disease (CD) is a type of inflammatory bowel disease (IDB). The endoscopic picture of Crohn's disease includes thickened submucosa, transmural inflammation, fissuring ulceration, and non-caseating granulomas. Intestinal microbiome dysbiosis has been described systematically in patients with IBD. In recent decades it was detailed that 〈em〉Escherichia coli〈/em〉, especially adherent-invasive 〈em〉E. coli〈/em〉 (AIEC) pathotype, has been implicated in the pathogenesis of IBD, including Crohn's disease [1]. In comparison with commensal strains of 〈em〉E. coli〈/em〉, AIEC strains have a large adhesive-invasive potential therefore its surface composition is of great interest. We presented a dataset of the membrane proteins of strains isolated from patients with Crohn's disease. From the set of 〈em〉Escherichia coli〈/em〉 isolated from Crohn's disease patients [2] we chose three isolates with strongest AIEC pathotype. We performed proteome-wide LC-MS analysis of membrane fraction of this isolates after invasion or adhesion-invasion to human intestinal CaCo-2 cell line and prior to this (control). The data including LC-MS/MS raw files and exported MaxQuant search results with fasta files were deposited to the PRIDE repository project accession PXD014250.〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: October 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief, Volume 26〈/p〉 〈p〉Author(s): H. Correa, Alvaro Garcia Muriel, D. Peña Lara〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉Using the ac-calorimetry technique and the electric modulus formalism for analysis of ionic conductivity relaxation in crystalline 〈math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si2.svg"〉〈mrow〉〈mi〉γ〈/mi〉〈/mrow〉〈/math〉-RbAg〈sub〉4〈/sub〉I〈sub〉5〈/sub〉, close to the 〈math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si2.svg"〉〈mrow〉〈mi〉γ〈/mi〉〈/mrow〉〈/math〉 to 〈math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si3.svg"〉〈mrow〉〈mi〉β〈/mi〉〈/mrow〉〈/math〉 phase transition at 120 K, the temperature derivative of microscopic interaction energy for a single-mobile ion is proportional to the specific heat. The two different experimental techniques show that cooperative behavior drives the phase transition at 120 K (obey the same mechanism).〈/p〉〈/div〉 〈/div〉

Description: 〈p〉Publication date: Available online 21 August 2019〈/p〉 〈p〉〈b〉Source:〈/b〉 Data in Brief〈/p〉 〈p〉Author(s): Tati Suryati Syamsudin, Hafsah Hafsah, Iriawati〈/p〉 〈div xml:lang="en"〉 〈h5〉Abstract〈/h5〉 〈div〉〈p〉This data informs about the profile of volatile compound of coffee flower (Coffee arabica) from different locations with different annual rainfall by using gas chromatography - mass spectrometry (GC-MS). The volatile compounds were captured by solid phase micro extraction (SPME) methods. The extract then subjected to GC-MS for separation and identification of compounds. The profile of volatile compound was provided in, Table 1, Table 2, Tables 3 and 4.〈/p〉〈/div〉 〈/div〉