cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.21946276.v1
title: Diversity of the diterpenes in the leaves of Xylopia laevigata (Annonaceae) and their cytotoxicities

description: The phytochemical investigation of the hexane extract which was obtained from the leaves of Xylopia laevigata (Annonaceae) produced six terpenes. Among these, five diterpenes named abieta-7,13-dien-3-one, ent-7β-acetoxy-16β-hydroxy-kaurane, 4-epi-cupressic acid, powerol, and labdorffianic acid B, and one oxygenated sesquiterpene, spathulenol. This is the first time these isolated diterpenes from X. laevigata have been described. The different structures belong to the abietane, kaurane, and labdane diterpenoids, and are indicative of the chemical diversity found in X. laevigata. Moreover, the diterpene ent-7β-acetoxy-16β-hydroxy-kaurane is reported herein for the first time as a natural product, and 4-epi-cupressic acid, powerol, and labdorffianic acid B are reported for the first time in the Annonaceae family. The structures of the isolated compounds were established by extensive analyses using 1D and 2D NMR spectroscopy in combination with MS. The cytotoxic activities of compounds abieta-7,13-dien-3-one, spathulenol, 4-epi-cupressic acid, and powerol were evaluated against tumor and non-tumor cell lines, in which spathulenol was found to be the most active, mainly against K562 with an IC50 value of 17.20 μmol L-1.
DOI: 10.6084/m9.figshare.21744072
title: DECOMPOSING THE GINI INDEX BY ECONOMIC ACTIVITY FOR BRAZIL IN 2015

description: ABSTRACT This article presents an estimation of the Brazilian Gross Value Added (GVA) for 127 employment shares and 64 economic activities, based on the year of 2015. Continuous National Household Sample Survey (PNAD) microdata was reconciled with National Accounts data by means of the World Inequality Database (WID). Disaggregation was achieved for 64-economic-activity after applying a RAS biproportional balancing procedure, which considered, on the one hand, the distribution of GVA by activity of Brazilian Tables of Resources and Uses, and, on the other hand, the distribution by population shares from WID. From the results, it was possible to analyze the relative distribution of the employment shares in the value added for each and every economic activity, to construct a ranking of economic activities by degree of progressivity, to simulate the trajectory of inequality between 2012 and 2019 - assuming constant concentration ratios and changing the participation of each activity in the value added - and to calculate, separately for each final demand component and each economic activity, the Gini index that would prevail if the final demand were comprised of each component of the demand or of each economic activity exclusively.
DOI: 10.6084/m9.figshare.21744072.v1
title: DECOMPOSING THE GINI INDEX BY ECONOMIC ACTIVITY FOR BRAZIL IN 2015

description: ABSTRACT This article presents an estimation of the Brazilian Gross Value Added (GVA) for 127 employment shares and 64 economic activities, based on the year of 2015. Continuous National Household Sample Survey (PNAD) microdata was reconciled with National Accounts data by means of the World Inequality Database (WID). Disaggregation was achieved for 64-economic-activity after applying a RAS biproportional balancing procedure, which considered, on the one hand, the distribution of GVA by activity of Brazilian Tables of Resources and Uses, and, on the other hand, the distribution by population shares from WID. From the results, it was possible to analyze the relative distribution of the employment shares in the value added for each and every economic activity, to construct a ranking of economic activities by degree of progressivity, to simulate the trajectory of inequality between 2012 and 2019 - assuming constant concentration ratios and changing the participation of each activity in the value added - and to calculate, separately for each final demand component and each economic activity, the Gini index that would prevail if the final demand were comprised of each component of the demand or of each economic activity exclusively.
DOI: 10.6084/m9.figshare.21946279
title: Microplastic occurrence in fish species from the Iquitos region in Peru, western Amazonia

description: ABSTRACT The contamination of aquatic environments by microplastic has become a major threat to biodiversity. The presence of microplastic is documented in the aquatic fauna of the oceans, but, in the Amazon basin, reports on microplastic occurrence are few. The present study surveyed microplastic occurrence in fishes in an area of the Peruvian Amazon. We sampled 61 specimens of 15 commercial species from local markets in the city of Iquitos, Loreto Department. We detected a total of 2337 microplastic particles, 1096 in the gills and 1241 in the internal organs (esophagus, stomach, intestine, liver, gonads, pancreas, swim bladder and heart). The prevalence of microplastic particles was 100% and the overall average abundance was of 38.3 particles per individual (17.9 particles per individual in gills and 20.3 particles per individual in internal organs). Most particles were found in carnivorous fish. There was no correlation of particle abundance with fish standard length and weight. These results provided evidence of the degree of microplastic contamination of the fish fauna in the region of Iquitos.
DOI: 10.6084/m9.figshare.21946279.v1
title: Microplastic occurrence in fish species from the Iquitos region in Peru, western Amazonia

description: ABSTRACT The contamination of aquatic environments by microplastic has become a major threat to biodiversity. The presence of microplastic is documented in the aquatic fauna of the oceans, but, in the Amazon basin, reports on microplastic occurrence are few. The present study surveyed microplastic occurrence in fishes in an area of the Peruvian Amazon. We sampled 61 specimens of 15 commercial species from local markets in the city of Iquitos, Loreto Department. We detected a total of 2337 microplastic particles, 1096 in the gills and 1241 in the internal organs (esophagus, stomach, intestine, liver, gonads, pancreas, swim bladder and heart). The prevalence of microplastic particles was 100% and the overall average abundance was of 38.3 particles per individual (17.9 particles per individual in gills and 20.3 particles per individual in internal organs). Most particles were found in carnivorous fish. There was no correlation of particle abundance with fish standard length and weight. These results provided evidence of the degree of microplastic contamination of the fish fauna in the region of Iquitos.
DOI: 10.6084/m9.figshare.21946280
title: Mutations and insights into the molecular mechanisms of resistance of Mycobacterium tuberculosis to first-line

description: Abstract Genetically antimicrobial resistance in Mycobacterium tuberculosis is currently one of the most important aspects of tuberculosis, considering that there are emerging resistant strains for almost every known drug used for its treatment. There are multiple antimicrobials used for tuberculosis treatment, and the most effective ones are the first-line drugs, which include isoniazid, pyrazinamide, rifampicin, and ethambutol. In this context, understanding the mechanisms of action and resistance of these molecules is essential for proposing new therapies and strategies of treatment. Additionally, understanding how and where mutations arise conferring a resistance profile to the bacteria and their effect on bacterial metabolism is an important requisite to be taken in producing safer and less susceptible drugs to the emergence of resistance. In this review, we summarize the most recent literature regarding novel mutations reported between 2017 and 2022 and the advances in the molecular mechanisms of action and resistance against first-line drugs used in tuberculosis treatment, highlighting recent findings in pyrazinamide resistance involving PanD and, additionally, resistance-conferring mutations for novel drugs such as bedaquiline, pretomanid, delamanid and linezolid.
DOI: 10.6084/m9.figshare.21946280.v1
title: Mutations and insights into the molecular mechanisms of resistance of Mycobacterium tuberculosis to first-line

description: Abstract Genetically antimicrobial resistance in Mycobacterium tuberculosis is currently one of the most important aspects of tuberculosis, considering that there are emerging resistant strains for almost every known drug used for its treatment. There are multiple antimicrobials used for tuberculosis treatment, and the most effective ones are the first-line drugs, which include isoniazid, pyrazinamide, rifampicin, and ethambutol. In this context, understanding the mechanisms of action and resistance of these molecules is essential for proposing new therapies and strategies of treatment. Additionally, understanding how and where mutations arise conferring a resistance profile to the bacteria and their effect on bacterial metabolism is an important requisite to be taken in producing safer and less susceptible drugs to the emergence of resistance. In this review, we summarize the most recent literature regarding novel mutations reported between 2017 and 2022 and the advances in the molecular mechanisms of action and resistance against first-line drugs used in tuberculosis treatment, highlighting recent findings in pyrazinamide resistance involving PanD and, additionally, resistance-conferring mutations for novel drugs such as bedaquiline, pretomanid, delamanid and linezolid.
DOI: 10.5517/ccdc.csd.cc2by2lz
title: CCDC 2172901: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Sergey Yu. Ketkov, Elena A. Rychagova, Roman V. Rumyantcev, Igor L. Fedushkin|2022|Organometallics|42|123|doi:10.1021/acs.organomet.2c00547
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2by2m0
title: CCDC 2172902: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Sergey Yu. Ketkov, Elena A. Rychagova, Roman V. Rumyantcev, Igor L. Fedushkin|2022|Organometallics|42|123|doi:10.1021/acs.organomet.2c00547
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2by2n1
title: CCDC 2172903: Experimental Crystal Structure Determination

description: Related Article: Tatyana S. Koptseva, Alexandra A. Skatova, Sergey Yu. Ketkov, Elena A. Rychagova, Roman V. Rumyantcev, Igor L. Fedushkin|2022|Organometallics|42|123|doi:10.1021/acs.organomet.2c00547
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ck8px
title: CCDC 2191349: Experimental Crystal Structure Determination

description: Related Article: Xing Liu, Hui Li, Ting Zhang, Lei Zhang, Lei Zhou, Ming Li, Rongxing He|2023|Inorg.Chem.|62|1054|doi:10.1021/acs.inorgchem.2c04066
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2clv0v
title: CCDC 2192847: Experimental Crystal Structure Determination

description: Related Article: Svetlana V. Gutorova, Petr I. Matveev, Pavel S. Lemport, Daniil A. Novichkov, Igor P. Gloriozov, Nane A. Avagyan, Alexey O. Gudovannyy, Yulia V. Nelyubina, Vitaly A. Roznyatovsky, Vladimir G. Petrov, Konstantin A. Lyssenko, Yuri A. Ustynyuk, Stepan N. Kalmykov, Valentine G. Nenajdenko|2022|Inorg.Chem.|62|487|doi:10.1021/acs.inorgchem.2c03571
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2clwwr
title: CCDC 2192905: Experimental Crystal Structure Determination

description: Related Article: Yasuhiro Shigeta, Tatsuya Nomoto, Masako Kato, Motohiro Mizuno|2022|Inorg.Chem.|62|66|doi:10.1021/acs.inorgchem.2c02865
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cmnym
title: CCDC 2193651: Experimental Crystal Structure Determination

description: Related Article: Svetlana V. Gutorova, Petr I. Matveev, Pavel S. Lemport, Daniil A. Novichkov, Igor P. Gloriozov, Nane A. Avagyan, Alexey O. Gudovannyy, Yulia V. Nelyubina, Vitaly A. Roznyatovsky, Vladimir G. Petrov, Konstantin A. Lyssenko, Yuri A. Ustynyuk, Stepan N. Kalmykov, Valentine G. Nenajdenko|2022|Inorg.Chem.|62|487|doi:10.1021/acs.inorgchem.2c03571
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cn2ty
title: CCDC 2194050: Experimental Crystal Structure Determination

description: Related Article: Svetlana V. Gutorova, Petr I. Matveev, Pavel S. Lemport, Daniil A. Novichkov, Igor P. Gloriozov, Nane A. Avagyan, Alexey O. Gudovannyy, Yulia V. Nelyubina, Vitaly A. Roznyatovsky, Vladimir G. Petrov, Konstantin A. Lyssenko, Yuri A. Ustynyuk, Stepan N. Kalmykov, Valentine G. Nenajdenko|2022|Inorg.Chem.|62|487|doi:10.1021/acs.inorgchem.2c03571
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cxw28
title: CCDC 2202490: Experimental Crystal Structure Determination

description: Related Article: Simon Velasquez Morales, Alan M. Allgeier|2022|Inorg.Chem.|62|114|doi:10.1021/acs.inorgchem.2c03029
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cyq02
title: CCDC 2203294: Experimental Crystal Structure Determination

description: Related Article: Vasudevan Subramaniyan, Françoise Tibika, Yuri Tulchinsky|2022|Inorg.Chem.|62|123|doi:10.1021/acs.inorgchem.2c03044
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cyq13
title: CCDC 2203295: Experimental Crystal Structure Determination

description: Related Article: Vasudevan Subramaniyan, Françoise Tibika, Yuri Tulchinsky|2022|Inorg.Chem.|62|123|doi:10.1021/acs.inorgchem.2c03044
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cyq35
title: CCDC 2203297: Experimental Crystal Structure Determination

description: Related Article: Vasudevan Subramaniyan, Françoise Tibika, Yuri Tulchinsky|2022|Inorg.Chem.|62|123|doi:10.1021/acs.inorgchem.2c03044
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cyq46
title: CCDC 2203298: Experimental Crystal Structure Determination

description: Related Article: Vasudevan Subramaniyan, Françoise Tibika, Yuri Tulchinsky|2022|Inorg.Chem.|62|123|doi:10.1021/acs.inorgchem.2c03044
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cz49t
title: CCDC 2203706: Experimental Crystal Structure Determination

description: Related Article: Fanji Kong, Pablo Ríos, Conner Hauck, Francisco José Fernández-de-Córdova, Diane A. Dickie, Laurel G. Habgood, Amor Rodríguez, T. Brent Gunnoe|2022|J.Am.Chem.Soc.|145|179|doi:10.1021/jacs.2c09471
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cz4bv
title: CCDC 2203707: Experimental Crystal Structure Determination

description: Related Article: Fanji Kong, Pablo Ríos, Conner Hauck, Francisco José Fernández-de-Córdova, Diane A. Dickie, Laurel G. Habgood, Amor Rodríguez, T. Brent Gunnoe|2022|J.Am.Chem.Soc.|145|179|doi:10.1021/jacs.2c09471
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cz4cw
title: CCDC 2203708: Experimental Crystal Structure Determination

description: Related Article: Fanji Kong, Pablo Ríos, Conner Hauck, Francisco José Fernández-de-Córdova, Diane A. Dickie, Laurel G. Habgood, Amor Rodríguez, T. Brent Gunnoe|2022|J.Am.Chem.Soc.|145|179|doi:10.1021/jacs.2c09471
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.21946288
title: EVALUATION OF THE EFFECTS OF PRICE, EXCHANGE, AND VOLUME ON THE GROWTH OF REVENUES FROM BRAZILIAN EXPORTS OF WOOD PRODUCTS

description: ABSTRACT Brazil has advanced in export volume but has not been able to increase prices over the last decade for wood products. This work seeks to contribute to the understanding of this conflicting scenario, evaluating the growth in the revenue of Brazilian exports of these products during two periods: 2011-2015 and 2016-2020, as well as decomposing its effects in price, exchange rate, and volume. The method applied was the shift-share, widely used to identify determinants of sectoral and regional economic growth, being a precursor to the approach in the analysis of forest sector exports. Historical series for 5 (five) categories of wood products were analyzed, with export data from the Ministry of Economy. The historical series of nominal exchange rates from the Institute of Applied Economic Research (IPEA) was used. The real effective exchange rate (RER) followed the methodological note of the IPEA. All product categories analyzed had positive effects in terms of volume, for both periods, with a greater proportion in the second being driven by the exchange rate, although with a loss in real price, failing to offset inflation. The only exception was wood manufacturers, a product with higher added value, which presented gains in volume, exchange rates, and price. The volume effect was the most relevant, followed by the exchange rate as a result of the appreciation of the dollar against the real against the exchange rate and control of inflation in terms of the divergent effects on the national and international scenario. The price presented negative variations in export revenue, with a decline over the period. In addition to the added value of exported products, world stocks and levels of consumption may have contributed negatively to this scenario, affecting all categories of exported products, except for manufactured wood products, the only category that did not reflect such justifications.