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Article: Mapping Chemical Structure–Glass Transition Temperature Relationship through Artificial Intelligence

Miccio, Luis A / Schwartz, Gustavo A

Macromolecules. 2021 Feb. 05, v. 54, no. 4

2021

Abstract: Artificial neural networks (ANNs) have been successfully used in the past to predict different properties of polymers based on their chemical structure and to localize and quantify the intramonomer contributions to these properties. In this work, we ... ...

Abstract	Artificial neural networks (ANNs) have been successfully used in the past to predict different properties of polymers based on their chemical structure and to localize and quantify the intramonomer contributions to these properties. In this work, we propose to move forward in order to use the mathematical framework of the ANN for embedding the chemical structure of monomers into a high-dimensional abstract space. This approach allows us not only to accurately predict the glass transition temperature (Tg) of polymers but, even more important, also to encode their chemical structure as m-dimensional vectors in a mathematical space. For this aim, we employed a fully connected neural network trained with a set of more than 200 atactic acrylates that provide the coordinates of the vectorized chemical structures into the m-dimensional space. These data points were then treated with a hierarchical nonparametric clusterization method in order to automatically group similar chemical structures into clusters with alike properties. These clusters were then projected into a human-readable three-dimensional space using principal component analysis. This approach allows us to deal with chemical structures as if they were mathematical entities and therefore to perform quantitative operations, so far hardly imaginable, being essential for both the design of new materials and the understanding of the structure–property relationships.
Keywords	acrylates ; artificial intelligence ; chemical structure ; glass transition temperature ; principal component analysis
Language	English
Dates of publication	2021-0205
Size	p. 1811-1817.
Publishing place	American Chemical Society
Document type	Article
Note	NAL-AP-2-clean
ZDB-ID	1491942-4
ISSN	1520-5835 ; 0024-9297
ISSN (online)	1520-5835
ISSN	0024-9297
DOI	10.1021/acs.macromol.0c02594
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Approaching Polymer Dynamics Combining Artificial Neural Networks and Elastically Collective Nonlinear Langevin Equation.

Miccio, Luis A / Borredon, Claudia / Casado, Ulises / Phan, Anh D / Schwartz, Gustavo A

Polymers

2022 Volume 14, Issue 8

Abstract: The analysis of structural relaxation dynamics of polymers gives an insight into their mechanical properties, whose characterization is used to qualify a given material for its practical scope. The dynamics are usually expressed in terms of the ... ...

Abstract	The analysis of structural relaxation dynamics of polymers gives an insight into their mechanical properties, whose characterization is used to qualify a given material for its practical scope. The dynamics are usually expressed in terms of the temperature dependence of the relaxation time, which is only available through time-consuming experimental processes following polymer synthesis. However, it would be advantageous to estimate their dynamics before synthesizing them when designing new materials. In this work, we propose a combined approach of artificial neural networks and the elastically collective nonlinear Langevin equation (ECNLE) to estimate the temperature dependence of the main structural relaxation time of polymers based only on the knowledge of the chemical structure of the corresponding monomer.
Language	English
Publishing date	2022-04-12
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2527146-5
ISSN	2073-4360 ; 2073-4360
ISSN (online)	2073-4360
ISSN	2073-4360
DOI	10.3390/polym14081573
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Technical and financial evaluation of enrichment planting in logging gaps with the high-value species Swietenia macrophylla and Handroanthus serratifolius in the Eastern Amazon

Pinto, Rodrigo Costa / Pinheiro, César / Vidal, Edson / Schwartz, Gustavo

Forest ecology and management. 2021 Sept. 01, v. 495

2021

Abstract: Enrichment planting in logging gaps is an important silvicultural treatment to ensure long-term wood production in tropical forests. Knowledge on environmental and economic aspects of enrichment planting with high commercial value timber species in ... ...

Abstract	Enrichment planting in logging gaps is an important silvicultural treatment to ensure long-term wood production in tropical forests. Knowledge on environmental and economic aspects of enrichment planting with high commercial value timber species in logging gaps is scarce, which creates uncertainty for decision makers about the method effectiveness. To contribute to the debate, this work aimed to evaluate technically and financially enrichment planting of Swietenia macrophylla and Handroanthus serratifolius in logging gaps to serve as a model in the recovery and production increase of these species in future cutting cycles. An experiment on enrichment planting was established in 46 logging gaps in 2009 and measurements of planted individuals were done in 2011, 2014, and 2017. A cost-benefit analysis using net present value (NPV) and a sensitivity analysis were carried out on different interest rates for the production of roundwood and sawnwood. Eight years after planting, individuals of Swietenia and Handroanthus presented a diameter at breast height of 7.88 ± 1.41 cm and 5.20 ± 1.00 cm, and a Periodic Annual Increment (PAI) of 0.98 ± 0.38 cm year⁻¹ and 0.65 ± 0.22 cm year⁻¹, respectively. At the last measurement, Swietenia and Handroanthus individuals had a survival percentage of 51% and 24% and a mortality rate of 8% and 16% year⁻¹, respectively. NPV was positive for Swietenia in roundwood and sawnwood harvested at 60 and 90 years after planting (2nd and 3rd cutting cycles) and for Handroanthus in sawnwood harvested 90 years after planting. Once increasing PAI in 10% and 20%, Swietenia presented the highest NPVs and Handroanthus was profitable with harvest in 60 years and PAI increasing 20%. Based on these results, a model of Swietenia and Handroanthus production and conservation through enrichment planting in logging gaps was built.
Keywords	Handroanthus serratifolius ; Swietenia macrophylla ; cost benefit analysis ; forest ecology ; lumber ; models ; mortality ; roundwood ; tree and stand measurements ; uncertainty ; Amazonia
Language	English
Dates of publication	2021-0901
Publishing place	Elsevier B.V.
Document type	Article
Note	NAL-AP-2-clean
ZDB-ID	751138-3
ISSN	0378-1127
ISSN	0378-1127
DOI	10.1016/j.foreco.2021.119380
Database	NAL-Catalogue (AGRICOLA)

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Article: Priority areas for restoration in permanent preservation areas of rural properties in the Brazilian Amazon

da Cruz, Denis Conrado / Ferreira, Gracialda Costa / Ribeiro, Sabrina Santos / Schwartz, Gustavo / Monteiro, André

Land use policy. 2022 Apr., v. 115

2022

Abstract: Environmental degradation, over the years, has drastically changed landscapes in the Amazon. At the same time, discussion, knowledge, and actions on the conservation of forest remnants and restoration of degraded environments have increased worldwide. ... ...

Abstract	Environmental degradation, over the years, has drastically changed landscapes in the Amazon. At the same time, discussion, knowledge, and actions on the conservation of forest remnants and restoration of degraded environments have increased worldwide. The present study, carried out in Paragominas (Brazilian Amazon), aimed: (1) to evaluate the process of landscape change over the last 36 years (1984–2020); (2) to identify degraded environments within legally established permanent preservation areas (PPAs); and (3) to map environmental liabilities in degraded rural properties which, according to environmental regulations, must be recovered. The priority areas for restoration were defined considering (a) the environmental liabilities of each rural property; (b) the remnant forest in each rural property; (c) the rural properties’ boundaries; and (d) the degraded PPAs in each rural property. Deforestation followed by land use change in Paragominas’ territory increased from 12% (2336 km²) in 1984–45% (8783 km²) in 2020. The municipality presented 4416 km of rivers and c.a 6157 springs under pressure (i.e. agriculture, pasture, urban areas and deforested areas). The environmental liabilities identified summed 638.85 km², which, according to environmental regulations, must be recovered. It is important to consider that when producers protect PPAs in their properties, they also conserve soil and water resources as well as contribute to biodiversity maintenance.
Keywords	biodiversity ; deforestation ; forests ; land policy ; land use change ; landscapes ; pastures ; soil ; Amazonia
Language	English
Dates of publication	2022-04
Publishing place	Elsevier Ltd
Document type	Article
ZDB-ID	852476-2
ISSN	0264-8377
ISSN	0264-8377
DOI	10.1016/j.landusepol.2022.106030
Database	NAL-Catalogue (AGRICOLA)

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Article: Natural regeneration for restoration of degraded areas after bauxite mining: A case study in the Eastern Amazon

Brasil Neto, Alberto Bentes / Schwartz, Gustavo / Noronha, Norberto Cornejo / Gama, Marcos André Piedade / Ferreira, Gracialda Costa

Ecological engineering. 2021 Nov., v. 171

2021

Abstract: Natural regeneration is becoming more frequently used on a global level as a method of ecological restoration after mining operations. The objective of this study was to investigate forest restoration as a function of the exclusive use of natural ... ...

Abstract	Natural regeneration is becoming more frequently used on a global level as a method of ecological restoration after mining operations. The objective of this study was to investigate forest restoration as a function of the exclusive use of natural regeneration in systems with two (NR2) and seven (NR7) years of age after bauxite mining in Eastern Amazon, Brazil (3° 14′ 51″–3° 15′ 48″ S and 47° 44′ 14″–47° 43′ 09″ W). Soil's physical and chemical parameters (organic matter, bulk density, porosity, infiltration, and fertility), landscape-level quantification of vegetation in the areas surrounding the study sites and attributes of the established vegetation (abundance of individuals and families, Shannon diversity index, evenness index, and ecological dominance index) were assessed. The method of natural regeneration, in seven years, was efficient to occupy and cover the soil by regenerating tree and shrub species, as well to contribute to the recovery of important surface-depth attributes of the quality of rebuilt soils, such as organic matter, nutrient availability, density, porosity, and water infiltration. The regenerating tree and shrub species had low diversity and high dominance of a few pioneer species, which indicates the necessity of introducing early and late secondary successional species to correct the successional trajectory in order to ensure the ecosystem restoration.
Keywords	bauxite ; bulk density ; case studies ; forest restoration ; natural regeneration ; nutrient availability ; organic matter ; pioneer species ; porosity ; shrubs ; soil ; trees ; vegetation ; Amazonia ; Brazil
Language	English
Dates of publication	2021-11
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	1127407-4
ISSN	0925-8574
ISSN	0925-8574
DOI	10.1016/j.ecoleng.2021.106392
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Sustained timber yield claims, considerations, and tradeoffs for selectively logged forests.

Putz, Francis E / Romero, Claudia / Sist, Plinio / Schwartz, Gustavo / Thompson, Ian / Roopsind, Anand / Ruslandi / Medjibe, Vincent / Ellis, Peter

PNAS nexus

2022 Volume 1, Issue 3, Page(s) pgac102

Abstract: What is meant by sustainability depends on what is sustained and at what level. Sustainable forest management, for example, requires maintenance of a variety of values not the least of which is sustained timber yields (STYs). For the 1 Bha of the world's ...

Abstract	What is meant by sustainability depends on what is sustained and at what level. Sustainable forest management, for example, requires maintenance of a variety of values not the least of which is sustained timber yields (STYs). For the 1 Bha of the world's forests subjected to selective or partial logging, failure to maintain yields can be hidden by regulatory requirements and questionable auditing practices such as increasing the number of commercial species with each harvest, reducing the minimum size at which trees can be harvested and accepting logs of lower quality. For assertions of STY to be credible, clarity is needed about all these issues, as well as about the associated ecological and economic tradeoffs. Lack of clarity about sustainability heightens risks of unsubstantiated claims and unseen losses. STY is possible but often requires cutting cycles that are longer and logging intensities that are lower than prescribed by law, as well as effective use of low-impact logging practices and application of silvicultural treatments to promote timber stock recovery. These departures from business-as-usual practices will lower profit margins but generally benefit biodiversity and ecosystem services.
Language	English
Publishing date	2022-07-01
Publishing country	England
Document type	Journal Article
ISSN	2752-6542
ISSN (online)	2752-6542
DOI	10.1093/pnasnexus/pgac102
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Mining in the Amazon: Importance, impacts, and challenges to restore degraded ecosystems. Are we on the right way?

Martins, Walmer Bruno Rocha / Rodrigues, Julia Isabella de Matos / de Oliveira, Victor Pereira / Ribeiro, Sabrina Santos / Barros, Welton dos Santos / Schwartz, Gustavo

Ecological engineering. 2022 Jan., v. 174

2022

Abstract: Mining is one of the main economic activities in the Amazon region, contributing substantially to the economy of countries that share its territory. This activity, however, brings environmental aftermaths as vegetation suppression, soil destruction, ... ...

Abstract	Mining is one of the main economic activities in the Amazon region, contributing substantially to the economy of countries that share its territory. This activity, however, brings environmental aftermaths as vegetation suppression, soil destruction, hydrological instability, and faunal displacement, making restoration of degraded ecosystems a challenge. In this sense, the objective of our study was to present the economic importance, the main restoration methods, and the bottlenecks to obtain successful restoration trajectories in degraded areas by industrial mining in the Amazon. We listed eight possible relevant procedures for successful restoration after mining and discussed worldwide adopted restoration methods such as seedling planting, inducing natural regeneration, hydroseeding, and nucleation. Despite the great development of restoration methods after mining, there are still barriers to obtain inputs, which include seedlings, and qualified labor to plan and develop restoration projects. These issues come in addition to operational restrictions, technical incapacity, deficient or inflexible legal basis, and lack of law enforcement. We suggest the selection of key species for planting, associated with arbuscular mycorrhizal fungi and biochar, establishment of lists with ecological indicators and reference values, usage of organic waste, and monitoring through unmanned aerial vehicles with high sensors resolution to correct revegetation failures and estimate aboveground biomass and carbon.
Keywords	aboveground biomass ; biochar ; carbon ; fauna ; hydrology ; labor ; land restoration ; law enforcement ; natural regeneration ; organic wastes ; seedlings ; soil ; vegetation ; vesicular arbuscular mycorrhizae ; Amazonia
Language	English
Dates of publication	2022-01
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	1127407-4
ISSN	0925-8574
ISSN	0925-8574
DOI	10.1016/j.ecoleng.2021.106468
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Tara (Caesalpinia spinosa) in Natural and Agroforestry Systems under an Altitudinal Gradient in the Peruvian Andes: Responses to Soil and Climate Variation

Murga-Orrillo, Hipolito / Abanto-Rodriguez, Carlos / Fernandes Silva Dionisio, Luiz / Chu-Koo, Fred William / Schwartz, Gustavo / Nuñez Bustamante, Ever / Stewart, Paul Michael / Santos Silva Amorim, Ricardo / Vourlitis, George Louis / De Almeida Lobo, Francisco / Bardales-Lozano, Ricardo Manuel

Agronomy. 2023 Jan. 17, v. 13, no. 2

2023

Abstract: This research examined how edaphoclimatic variations are related to dendrometric variables of the Tara tree in natural and agroforestry systems in Cajamarca, Peru. Evaluations followed three approaches: (a) principal components analysis (PCA) with ... ...

Abstract	This research examined how edaphoclimatic variations are related to dendrometric variables of the Tara tree in natural and agroforestry systems in Cajamarca, Peru. Evaluations followed three approaches: (a) principal components analysis (PCA) with environmental factors and altitude classes with 1 °C of temperature variation for edaphic and dendrometric variables; (b) evaluation of possible differences by the bootstrap method for the different variables in the PCAs; and (c) correlation analysis between plant density, plant and crown height, stem and crown diameter, and the number of stem branches with the physical and chemical attributes of the soil and with air temperature. In the altitudinal gradient from 2021 to 3007 ± 7 m, the temperature ranged from 19.8 to 13.4 ± 0.4 °C; the soils possessed alkaline pH, high organic matter (OM), K and CEC, lower contents of CaCO₃, N, P, K, B, Cu, Fe, Mn, and Zn. The soil properties with the most significant contribution to PCAs were OM, CEC, N content, and sand, with no variation among environments but among altitudes. None of the dendrometric variables varied as a function of altitude and temperature in PCAs run in the natural environment. However, in the agroforestry environment, there was a greater crown diameter, and tree and crown height in the 2185 m altitude class associated with Medicago sativa. In contrast, the opposite behavior was found in these variables and in the altitude class 2798 m associated with low Fe content, and already in the altitude class at 3007 m, a larger stem diameter is associated with higher levels of CaCO₃. The anthropic effect on the agroforestry environment did not significantly alter the soil’s CEC, OM, N, and sand. Tara’s crown diameter and tree height appeared higher in agroforestry environments. The variations of Fe and CaCO₃ in the soil might have influence on the development of Tara individuals in natural and agroforestry environments. It is important to carry out further studies for a better understanding of the relationship between the production of Tara pods and soil fertility in altitudinal variation, aiming to improve the income and employment of family farmers who exploit Tara in the Peruvian Andes.
Keywords	Caesalpinia spinosa ; Medicago sativa ; agroforestry ; agronomy ; air temperature ; altitude ; climatic factors ; income ; nitrogen content ; organic matter ; pH ; plant density ; sand ; soil ; soil fertility ; tree height ; trees ; Andes region ; Peru
Language	English
Dates of publication	2023-0117
Publishing place	Multidisciplinary Digital Publishing Institute
Document type	Article ; Online
ZDB-ID	2607043-1
ISSN	2073-4395
ISSN	2073-4395
DOI	10.3390/agronomy13020282
Database	NAL-Catalogue (AGRICOLA)

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Article: Natural regeneration of tree species in the Eastern Amazon: Short-term responses after reduced-impact logging

Schwartz, Gustavo / Marielos Peña-Claros / Vanessa Falkowski

Forest ecology and management. 2017 Feb. 01, v. 385

2017

Abstract: Forest management for timber production has improved in tropical forests with the adoption of a polycyclic silvicultural system (PSS) where harvesting is carried out using reduced-impact logging (RIL). In this study, the natural regeneration of forests ... ...

Abstract	Forest management for timber production has improved in tropical forests with the adoption of a polycyclic silvicultural system (PSS) where harvesting is carried out using reduced-impact logging (RIL). In this study, the natural regeneration of forests harvested under RIL restrictions was assessed in three different sites of the Eastern Amazon two years after logging. A total of 7987 seedlings and saplings belonging to 197 species were sampled through 951 plots of 2×2m in 11 different natural and logging created environments. Light-demanding commercial species presented their highest density in logging environments such as logging gaps, skid trails, and borders of log decks. Shade-tolerant commercial species were more common in natural and logging gaps. Regarding the densities of harvested species in the three study sites, only 26.3% were represented by ⩾5 individuals and 28.1% were completely absent in the surveys two years after logging. These results suggest a lack of natural regeneration of the current commercial tree species in the Eastern Amazon. Therefore, post-harvesting silvicultural treatments as enrichment planting and the tending of the natural regeneration in logging gaps should be applied to ensure the regeneration of these species.
Keywords	harvesting ; logging ; man-made trails ; natural regeneration ; planting ; saplings ; seedlings ; shade tolerance ; skidders ; surveys ; timber production ; tropical forests ; Amazonia
Language	English
Dates of publication	2017-0201
Size	p. 97-103.
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	751138-3
ISSN	0378-1127
ISSN	0378-1127
DOI	10.1016/j.foreco.2016.11.036
Database	NAL-Catalogue (AGRICOLA)

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Article: Are liming and pit size determining for tree species establishment in degraded areas by kaolin mining?

de Oliveira, Victor Pereira / Martins, Walmer Bruno Rocha / Rodrigues, Julia Isabella de Matos / Silva, Arystides Resende / Lopes, José do Carmo Alves / de Lima Neto, João Fernandes / Schwartz, Gustavo

Ecological engineering. 2022 May, v. 178

2022

Abstract: Mining contributes to the global economy on different scales and plays a fundamental role in the development of the goods and services sectors. However, the negative impacts caused by the activity are unavoidable, as they intensely degrade soil ... ...

Abstract	Mining contributes to the global economy on different scales and plays a fundamental role in the development of the goods and services sectors. However, the negative impacts caused by the activity are unavoidable, as they intensely degrade soil structures and modify landscapes. The use of native tree species has been effective in restoring the structure and functions of post-mining ecosystems in the Amazon. Thus, the objective of this work was to evaluate chemical indicators of soil quality, survival and initial growth of six tree species planted in degraded ecosystem by kaolin mining under the effects of liming in three pit volumes in the Eastern Amazon. The initial conditions indicated highly degraded soil, with acidic pH, low content of OM, P and K. Liming significantly reduced the level of toxic Al in the soil and provided Ca and Mg for the plants. Through Principal Component Analysis (PCA), we found that the two first components explained 69.30% of the variance of 13 functional indicators of soil quality. PC1 was positively correlated with Ca, Mg, K, SB, CEC and V% and negatively correlated with H+Al and Al saturation. Survival was higher than 80% for Clitoria fairchildiana in all treatments. Liming and pit volume were determining in growth, with high growth rates in height of Inga edulis, Inga cayennensis, Clitoria fairchildiana and Tachigali vulgaris. The species used in this study presented good initial development in restoring ecosystems after kaolin mining.
Keywords	Clitoria fairchildiana ; Inga edulis ; Tachigali ; ecosystems ; kaolin ; pH ; principal component analysis ; soil ; soil degradation ; soil quality ; toxicity ; trees ; variance ; Amazonia
Language	English
Dates of publication	2022-05
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	1127407-4
ISSN	0925-8574
ISSN	0925-8574
DOI	10.1016/j.ecoleng.2022.106599
Database	NAL-Catalogue (AGRICOLA)

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