bluuebunny/crossref_metadata_2025 huggingface dataset:
Chemical Language Modeling with Structured State Spaces
Authors: Özçelik Rıza , de Ruiter Sarah , Criscuolo Emanuele , Grisoni Francesca
Published: January 2024

Generative deep learning is reshaping drug design. Chemical language models (CLMs) – which generate molecules in the form of molecular strings – bear particular promise for this endeavor. Here, we introduce a recent deep learning architecture, termed Structured State-Space Sequence (S4) model, into de novo drug design. In addition to its unprecedented performance in various fields, S4 has a remarkable capability to capture the global properties of long sequences. This aspect is key for chemical language modeling, where complex molecular properties like bioactivity can 'emerge' from distant positions in the molecular strings. This observation gives rise to the following question: Can S4 advance chemical language modeling for de novo design? To provide an answer, we systematically benchmark S4 with state-of-the-art CLMs on an array of drug discovery tasks, such as the identification of bioactive compounds, and the design of drug-like molecules and natural products. S4 showed a superior capacity to learn complex molecular properties, while at the same time exploring diverse scaffolds. Finally, when applied prospectively to kinase inhibition, S4 designed eight of out ten molecules that were predicted as highly active by molecular dynamics simulations. Taken together, these findings advocate for the introduction of S4 into chemical language modeling -- uncovering its untapped potential in the molecular sciences.
Synthesis, Structure & Properties of CuBiSeCl2: A Chalcohalide Material with Low Thermal Conductivity
Authors: Hawkins Cara J. , Newnham Jon A. , Almoussawi Batoul , Gulay Nataliya L. , Goodwin Samuel L. , Zanella Marco , Manning Troy D. , Daniels Luke M. , Dyer Matthew S. , Veal Tim D. , Claridge John B. , Rosseinsky Matthew J.
Published: January 2024

Mixed anion halide-chalcogenide materials have recently attracted attention for a variety of applications owing to their desirable optoelectronic properties. We report the synthesis of a previously unreported mixed-metal chalcohalide material, CuBiSeCl2 (Pnma), accessed through a simple, low temperature solid state route. The physical structure is characterized through Single Crystal X-Ray Diffraction and reveals significant Cu displacement within the CuSe2Cl4 octahedra. The electronic structure of CuBiSeCl2 is investigated computationally, which indicates highly anisotropic charge carrier effective masses, and by experimental verification using X-Ray Photoelectron Spectroscopy (XPS), which reveals a valence band dominated by Cu orbitals. The band gap is measured to be 1.40(3) eV, a suitable value for solar absorption applications. The electronic and thermal properties, including resistivity, Seebeck coefficient, thermal conductivity and heat capacity, are also measured and it is found that CuBiSeCl2 exhibits a low room temperature thermal conductivity of 0.27(4) W K-1 m-1.
Porphyrin Aggregation under Homogeneous Conditions Inhibits Electrocatalysis: A Case Study on CO₂ Reduction
Authors: Branch Kaitlin , Johnson Erin , Nichols Eva
Published: January 2024

Metalloporphyrins are widely used as homogeneous electrocatalysts for transformations relevant to clean energy, environmental remediation, and sustainable organic synthesis. It is common knowledge that metalloporphyrins are prone to aggregation due to π–π stacking of their planar structures, but surprisingly the influence of aggregation on homogeneous electrocatalytic performance has not been investigated previously. Herein, we present three structurally related iron meso-phenylporphyrins whose aggregation properties are expected to be different in commonly used N,N-dimethylformamide (DMF) electrolyte. Both spectroscopy and light scattering are used to provide evidence of extensive porphyrin aggregation under conventional electrocatalytic conditions. Using the electrocatalytic reduction of CO₂ to CO as a test reaction, cyclic voltammetry reveals an inverse dependence of kinetics on catalyst concentration for all three porphyrins. The inhibition at higher catalyst concentrations extends to bulk performance, where up to 75% of the catalyst at 1 mM is inactive compared to at 0.25 mM. We additionally report how aggregation is perturbed by organic additives, axial ligands, and porphyrin redox state. Periodic boundary calculations are used to gain additional insights into aggregate stability as a function of metalloporphyrin structure. Finally, we generalize the aggregation phenomenon by surveying metalloporphyrins with different metals and substituents. The takeaways of this study are that homogeneous metalloporphyrin catalysts can aggregate severely even in well-solubilizing organic electrolytes, that aggregation can be easily modulated through choice of experimental conditions, and that the extent of aggregation must be considered for accurate catalytic benchmarking.
Easy Access to γ-Iodo-gem-Diborylated-Cyclopentanes and Bicyclic Cyclopropanes
Authors: Cirule Dace , Dénès Fabrice , Renaud Philippe
Published: January 2024

A formal atom transfer radical [3+2] annulation (ATRAn) reaction between different homoallyl radical precursors and 1,1-diborylethene was developed. It provides a rapid access to polysubstituted cyclopentanes containing a gem-diboronic ester moiety. The synthetic utility of theses uniquely functionalized 5-membered rings is highlighted by their easy conversion to attractive borylated building blocks such as 1-borylated bicyclo[3.1.0]hexanes. The ATRAn reaction was extended to homopropagylic radicals giving access to unique allylic gem-diboronic esters that could be used in allylboration of aldehydes.
Revisiting the benzene excimer using [2,2] paracyclophane model system: Experiment and theory
Authors: Haggag Omer S. , Baer Roi , Ruhman Sanford , Krylov Anna I.
Published: January 2024

We report high-level calculations of the excited states of [2,2]-paracyclophane (PCP), which was recently investigated experimentally by ultrafast pump-probe experiments on oriented single crystals [Haggag et al., ChemPhotoChem 6 e202200181 (2022)]. PCP, in which the orientation of the two benzene rings and their range of motion are constrained, serves as a model for studying benzene exciplex formation. The character of the excimer state and the state responsible for the brightest transition are similar to those in benzene dimer. The constrained structure of PCP allows one to focus on the most important degree of freedom, the inter-ring distance. The calculations explain the main features of the transient absorption spectral evolution. This brightest transition of the excimer is polarized along the inter-fragment axis. The absorption of light polarized in the plane of the rings reveals the presence of other absorbing states of Rydberg character, with much weaker intensities. We also report new transient absorption data obtained by a broadband 8 fs pump, which time-resolve strong modulations of the excimer absorption. The combination of theory and experiment provides a detailed picture of the evolution of the electronic structure of the PCP excimer in the course of a single molecular vibration.
Guest-host Chemistry with Phenothiazine-substituted Amides.
Authors: Christensen Jørn Bolstad , Lewinsky Rasmus
Published: January 2024

Guest-host interactions between a 3-(10-phenothiazinyl)propanamide) functionalized dipropylenetriamine pincer (host) and simple amides of malonic acid and analogs (guests) have been investigated, and the system has been transferred to a generation 5 3-(10-phenothiazinyl)propanamide) substituted polypropylene imine dendrimer. The association constants in chloroform solution have been determined by NMR on the model system and are in the region 103 to 104 M-1.
Temperature-Driven Dissolution of Nanoalloyed Catalyst During Ink Preparation and Membrane Electrode Assembly Fabrication
Authors: Ronovský Michal , Dunseath Olivia , Hrbek Tomáš , Kúš Peter , Gatalo Matija , Polani Shlomi , Kubát Jan , Götz Daniel , Nedumkulam Hridya , Satori Andrea , Petrucco Enrico , Zepeda Francisco Ruiz , Hodnik Nejc , Strasser Peter , Bonastre Alex Martinez , Drnec Jakub
Published: January 2024

Platinum (Pt) alloys are excellent oxygen-reduction catalysts used in proton exchange membrane fuel cells, yet their effective integration poses challenges. Through in-situ X-ray diffraction, we investigate the compositional changes during the ink preparation of PtCo and PtNi catalysts and reveal that dissolution is primarily driven by temperature. Comparisons with conventional catalyst-coated membrane (CCM) fabrication methods highlight structural transformations during hot-pressing. Paving the way for advancements in sustainable energy technologies, our findings emphasize the essential need for fundamental knowledge of ink-making and CCM fabrication to unlock Pt-alloy catalyst potential for hydrogen fuel cells. In addition to the academic community, the industry shall benefit from this precise and easy-to-employ methodology.
Sodium Triflate Water-in-Salt Electrolyte in Advanced Battery Applications: A First-principles Based Molecular Dynamics Study
Authors: Rezaei Majid , Sakong Sung , Groß Axel
Published: January 2024

Offering a compelling combination of safety and cost-effectiveness, Water-in-Salt (WiS) electrolytes have emerged as promising frontiers in energy storage technology. Still, there is a strong demand for research and development efforts to make these electrolytes ripe for commercialization. Here we present a first-principles based molecular dynamics study addressing in detail the properties of a sodium triflate WiS electrolyte for Na-ion batteries. We have developed a workflow based on a machine learning (ML) potential derived from ab initio molecular dynamics simulations. As ML potentials are typically restricted to the interpolation of the data points of the training set and have hardly any predictive properties, we subsequently optimize a classical force field based on physics principles to ensure broad applicability and high performance. Performing and analysing detailed molecular dynamics simulations, we identify several very promising properties of the sodium triflate as a WiS electrolyte, but also indicate some potential stability challenges associated with its use as a battery electrolyte.
Liquid structure in mixtures of imidazolium based ionic liquid/carbonate solvents for application in next generation lithium ion battery electrolytes: molecular dynamics simulation
Authors: Wagaye Abraham Molla Wagaye , Yohannes Teketel , Workneh Getachew Adam
Published: January 2024

We used molecular dynamics (MD) simulations based on classical force field to provide the liquid structure in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid in the presence of ethylene, dimethyl carbonate co-solvents and 1M LiTFSI mixtures which are currently being targeted for applications in next-generation Li-ion battery electrolytes. To show the dependence of the properties on the concentration, we simulated both pure IL and ternary mixtures of IL, EC and DMC with different mixing ratios. The solvation of lithium cations in pure and mixed IL/organic carbonate solvents has been investigated. The MD simulations have predicted a preference of Li+ ions to interact with DMC molecules within its first solvation shell rather than with the highly polar EC ones in the IL/carbonate mixtures, a phenomon which is attributed to the local tetrahedral packing of the solvent molecules in the first solvation shell of Li+ ions.The coordination of the O/N atoms of the bis(trifluoromethylsulfonyl)imide anion to Li+ ions as well as to the most acidic H atom of 1-ethyl-3-methylimidazolium cation has also been analysed, which showed a marked increase in the amplitude of RDF peaks with increase in carbonate concentration, indicating that the interaction between the ions was enhanced by the presence of high carbonate content. Furthermore, in the pure ionic liquid, adjacent cations are almost exclusively located on top and below the ring cation, whereas the anions mainly coordinate to the cation within the ring plane. The addition of large amount of carbonate co-solvents disturb the original near ordering which is found in the pure ionic liquid.
Lead-Free Semiconductors: Phase-Evolution and Superior Stability of Multinary Tin Chalcohalides
Authors: Roth Alison , Porter Andrew , Horger Sarah , Ochoa-Romero Kerly , Guirado Gonzalo , Rossini Aaron , Vela Javier
Published: January 2024

Tin-based semiconductors are highly desirable materials for energy applications due to their low toxicity and bio-compatibility relative to analogous lead-based semiconductors. In particular, tin-based chalcohalides possess optoelectronic properties that are ideal for photovoltaic and photocatalytic applications. In addition, they are believed to benefit from increased stability compared to halide perovskites. However, to fully realize their potential, it is first necessary to better understand and predict the synthesis and phase evolution of these complex materials. Here, we describe a versatile solution-phase method for the preparation of the multinary tin chalcohalide semiconductors Sn2SbS2I3, Sn2BiS2I3, Sn2BiSI5, and Sn2SI2. We demonstrate how certain thiocyanate precursors are selective toward the synthesis of chalcohalides, thus preventing the formation of binary and other lower order impurities rather than the preferred multinary compositions. Critically, we utilize 119Sn ssNMR spectroscopy to further assess the phase purity of these materials. Further, we validate that the tin chalcohalides exhibit excellent water stability under ambient conditions, as well as remarkable resistance to heat over time compared to halide perovskites. Together, this work enables the isolation of lead-free, stable, direct band gap chalcohalide compositions that will help engineer more stable and biocompatible semiconductors and devices.
Deep learning for low-data drug discovery: hurdles and opportunities
Authors: van Tilborg Derek , Brinkmann Helena , Criscuolo Emanuele , Rossen Luke , Özçelik Rıza , Grisoni Francesca
Published: January 2024

Deep learning is becoming increasingly relevant in drug discovery, from de novo design to protein structure prediction and synthesis planning. However, it is often challenged by the small data regimes typical of certain drug discovery tasks. In such scenarios, deep learning approaches – which are notoriously ‘data-hungry’ – might fail to live up to their promise. Developing novel approaches to leverage the power of deep learning in low-data scenarios is sparking great attention, and future developments are expected to propel the field further. This minireview provides an overview of recent low-data-learning approaches in drug discovery, analyzing their hurdles and advantages. Finally, we venture to provide a forecast of future research directions in low-data learning for drug discovery.
Cine, televisión y las fronteras del mal
Authors: Bedoya Ricardo , Cabrejo José Carlos , Cappello Giancarlo
Published: January 2024

En dos episodios del podcast Páginas Indiscretas, los conductores Ricardo Bedoya y José Carlos Cabrejo conversaron con Giancarlo Cappello —docente, guionista y especialista en ficción televisiva— sobre la manera en que el cine y la TV han representado el mal, sea en formas nítidas del villano o en encarnaciones borrosas, a través de personajes tan diversos como Walter White de Breaking Bad o el Joker de Joaquin Phoenix. A continuación, presentamos transcripciones de algunos fragmentos de dichos episodios, grabados el 2020 y el 2023 respectivamente.
Sobre Álbumes y Microondas: La Comunidad de mis Sueños
Authors: Skamarda Sapoval Irina
Published: January 2024

El proyecto que se muestra es un abordaje exploratorio del registro fotográfico documental de ciertas personas relevantes para la autora que forman parte de lo que la misma denomina una "comunidad" tomando la definición poética y literaria que da la feminista Monique Wittig en su "Borrador para un diccionario de las amantes". El resultado es la puesta en juego de una recopilación de imágenes de estas personas que son amigas/hermanas/amantes en lugares fantásticos y oníricos, en los cuales la autora las posiciona reinventando su forma de verlas y de haber atravesado con ellas diferentes instancias de la vida en comunidad. La mención del microondas se presenta como una forma de citar el arte instantáneo y no aurático, en relación a los medios de producción de la imagen y la inclusión de la tecnología de la Inteligencia Artificial.
Women, Cities and Harassment:
Authors: Santos Alves Gabriela , Gomes Mendes Karolyne , Vasconcelos Zanotti Rosane
Published: January 2024

This article aims to analyze technical and aesthetic strategies to represent the actions and experiences of women in Brazilian urban centers, having as an object of study the documentary film Chega de Fiu Fiu (2018). We base our analysis on a theoretical framework composed of reflections on Brazilian documentary cinema and contemporary feminist theory, particularly the issue of harassment. The work invites reflection on the constant cases of harassment suffered by women in public spaces and the right of female bodies to cities, focusing on the experiences of its three protagonists. The methodology used is that of film analysis, and the objective is also to expose cinematic action as containing narrative potential for the debate on gender issues.
De las competencias destrezas y habilidades a los gustos, sensaciones y conocimientos
Authors: Maldonado Carlos Eduardo
Published: January 2024

Este artículo sostiene que la educación centrada en torno a las competencias, destrezas y habilidades (CDH) no sabe para nada de la vida y, por el contrario, define todo el sistema de educación con relación al trabajo. Un sistema de educación centrado en CDH solo forma trabajadores, empleados. Si queremos un sistema de educación que afirme, exalte, posibilite y gratifique a la vida en general, es necesario superar todo el lenguaje, las implicaciones y consecuencias alrededor de las CDH. Contra las CDH, este trabajo formula la necesidad y el sentido a cerca de los gustos, sensaciones y conocimientos (GSC). Un giro radical, se podría decir. Por lo tanto, el trabajo acá plasmado aporta diversos argumentos en favor de los GSC, los cuales comportan una transformación radical del sistema de educación. Concluyendo que, mientras la educación normal está orientada al trabajo, una educación para la vida conlleva a centrar el proceso del aprendizaje en el cuidado de la vida, en sentido muy amplio.
Enseñanza de la diáspora africana a través de la figura de los Griots africanos, la oralitura y la literatura afrocolombianas
Authors: Angulo Harold , Criales Julie Stefania
Published: January 2024

La investigación tuvo como objetivo analizar cómo aporta a la enseñanza de la historia de la diáspora africana, por medio de la oralitura y la literatura afrocolombiana en el escenario educativo, la estrategia pedagógica “Griots, contadores de historias”, en el grupo de estudiantes del curso 702 de la Institución Ciudadela Educativa TUMA-ICET. A nivel metodológico, el estudio se centró en el método Investigación Acción como aporte a la etnoeducación, desde una perspectiva cualitativa, y reconociendo de las percepciones y experiencias de los actores participantes, quienes contribuyeron a la transformación de la realidad académica. La población participante estuvo constituida por diez estudiantes, quienes tienen edades entre los 12 y 15 años; y ocho docentes de las áreas de ciencias sociales y lenguaje.
Se diagnosticaron y caracterizaron los saberes previos relacionados con la historia de la diáspora africana, a partir de los cuales se diseñó, aplicó y analizó la estrategia pedagógica mencionada. Esta se estructuró en seis talleres que abordaron la historia de la diáspora africana de forma cronológica, desde la trata trasatlántica, pasando por las condiciones de esclavización a las que fueron obligados los pueblos negros del continente africano, las estrategias de cimarronaje y los roles que asumieron en la lucha por la libertad; así como la movilización que llevó al reconocimiento de los derechos étnico-territoriales. Como resultados de la investigación, se identificó que la estrategia pedagógica aporta tanto al aprendizaje de la historia de la diáspora africana, desde el abordaje de la oralitura y la literatura afrocolombiana, como a la motivación del desarrollo escolar y el fortalecimiento de habilidades relacionadas con la comprensión lectora y la escritura, por medio del conocimiento de las historias y experiencias de los descendientes de la diáspora, desde sus propias voces.
Effect of Hands-On Instructional Approach on Pupils’ Achievement and Retention in Cultural and Creative Arts
Authors: Dike Ibwari Caroline , Otu Mkpoikanke Sunday , Dike Adannia Amalachukwu
Published: January 2024

Purpose: The purpose of this study was to examine the effects of a hands-on educational approach on pupils' achievement and retention in the Cultural and Creative Arts.

 

Theoretical Framework: The theoretical framework for this study is based on cognitive learning and experiential learning.

 

Methodology: Study participants were primary five pupils in Oshimili South Local Government Area, Delta State. As part of this study, ten hands-on activities were used to engage primary five pupils in the learning process. Hands-on activities included magazine family puppets, musical glasses, painting to music, PVC sculptures, roll an activity, sound boxes, sound cans, sun shadow pictures, and swinging to music. Using a quasi-experimental design, two research questions and two hypotheses were developed and tested at a 0.05 level of significance. The study involved 100 primary five pupils from ten primary schools. Participants were divided into experimental and control groups (n=50). Culture and creative arts were taught through hands-on activities in the experimental group, but not to their counterparts in the control group. Despite this, after four weeks of experimentation, pretest and posttest data were collected from both groups. Data were collected using the Cultural and Creative Arts Achievement Test (CCAT) and the Cultural and Creative Arts Retention Test (CCRT). Participants were given the instruments directly by their respective group leaders. Based on the mean and standard deviation of the test scores, ANOVA was used to test the hypotheses.

 

Findings: A significant effect of hands-on instruction on pupils' achievement and retention in cultural and creative arts was found. Based on the findings, the researchers recommended that pupils should be exposed to sophisticated hands-on materials to improve their achievement and retention in cultural and creative arts, and that teachers also be trained on how to use hands-on instructions in the classroom.

 

Research, Practical & Social Implications: The study promotes active engagement and participation, which allows pupils to actively participate in the learning process. They gain a better understanding of the subject matter and retain more information. The hands-on approach promotes creativity and problem-solving skills. Pupils are encouraged to think critically, solve problems, and come up with innovative solutions through hands-on activities. As a result, their creative thinking skills are enhanced, and they are prepared for future challenges in the creative arts industry.

 

Originality/Value: In the cultural and creative arts domain, hands-on instructional methods offer originality and uniqueness. Pupils gain a deeper understanding of subjects through interactive and hands-on classroom experiences. Hands-on activities can assist teachers in creating a more engaging and effective learning environment, resulting in improved pupil performance and retention.
Investigation of E-Business Motivation Among Batik SMEs in Indonesia
Authors: Kusmantini Titik , Fahrudin  , Diantoro Aris Kusumo , Millaty Marosimy , Mulyaningrum Sudibyo
Published: January 2024

Purpose: This research explores how to establish a conceptual framework for an empirical model of e-business motivation in small organizations, while most e-business studies focus on large companies. To explain SMEs' tactics and features, notably family businesses' increased e-business motivation.
 
Theoretical Framework: Technological developments have an impact on changing business management patterns, many business opportunities can be captured by companies including small and medium enterprises (SMEs) to be able to expand the market and increase sales.
 
Design/Methodology/Approach: ANOVA analysis was used for quantitative analysis. This research took a sample of 122 Batik SMEs from the Batik center villages of Klaten, Jarum, Beluk, Banyuripan, and Kebon Regencies. The sampling method was purposive, namely by using batik SMEs that have used social media or websites to carry out promotions and sales.
 
Findings: SMEs in the innovator category were more driven than reactors. Innovative companies succeeded in internet marketing, communication, and profit. However, the two groups employed e-business for study similarly. This shows that innovators and reactor companies have not fully adopted the e-business market or industry surveys.
 
Implications of Research: This research shows that the success of e-business practices, especially electronic promotion and selling, will increase with strategic orientation that strives for innovation, as market coverage expands, and business duration increases.
 
Originality/Value: E-business strategies and competencies in small businesses are infrequently investigated, whereas major enterprises are extensively studied. demonstrates that SMEs have distinct firm structures and HR development programs than major companies, hence their e-business practices will differ.
A Importância da Auditoria como Prevenção das Fraudes
Authors: Monge Bruno Reco , Nogueira Maria Aparecida Farias de Souza
Published: January 2024

Objetivo da Pesquisa: Evidenciar a importância da auditoria como fator para prevenção de fraudes.

 

Enquadramento Teórico: Construir um breve histórico acerca a auditoria contábil, bem como demonstrar sua importância e função contra as fraudes na administração pública.

 

Metodologia: Revisão sistemática da literatura e, para tanto, utiliza-se de consulta pelo site de periódicos da Capes e após processo de filtragem, procedeu-se à leitura integral dos artefatos encontrados.

 

Resultados: Após refinar 245 artigos, em dois momentos de pesquisa, resultaram em 09 artigos aderentes a pesquisa, onde concluiu-se que a auditoria é uma importante ferramenta dentro de uma empresa, tanto para fornecer dados para tomada de decisões, quanto no combate às fraudes.

 

Contribuições Teóricas e Práticas: Frente a relevância temática, esta pesquisa visa melhorar o debate acerca da temática.
A Critique on Theoritical Framework for Adoption of Corporate Sustainability Practices: Iintegrating Institutional Motives, Stakeholder Motives, and Managerial Motives
Authors: Wijesundara Chamika Namal Ranasingh , Khatibi Ali , Azam S. M. Ferdous , Tham Jacquline
Published: January 2024

Purpose: This literature review seeks to advance knowledge of the area of theories on motivation for corporate sustainability efforts as it has been researched by earlier experts. Corporate sustainability has gained more attention in academics and business since the 1990s. Still, there is a lack of literature in the area of motivational theories for corporate sustainability. This particular review paper offers an analysis of 30 articles from journals covering the area of business and management that were published between 2002 and 2022. The paper provides a summary of the growth of corporate sustainability, as well as various definitions, and theories that have been put into practice to motivate corporate sustainability efforts.

 

Method: The researcher employed a literature search strategy, drawing from prior review articles, to investigate corporate sustainability theories and related studies by reputable academics. The electronic search focused on business and management publications, using keywords like sustainability and motivating theories for corporate sustainable adoption. The search was limited to the most recent two decades. Each identified work underwent screening to assess its essential relevance to motivational theories of corporate sustainability.

 

Findings: The results show that the field of corporate sustainability is still developing and that several theories have been employed to measure the motives of corporate sustainability. We believe that despite the similarities and connections between the three theories: institutional theory, stakeholder theory, and managerial motives, they are complementary rather than competing. Most significantly, they can be combined with and connected to corporate sustainability activities to provide a multi-theoretical view of the motivations behind such practices.

 

Research Implication: This study provides a theoretical framework that can be applied to studies of corporate sustainability, particularly when attempting to understand why organizations motivate to adopt corporate sustainability.

 

Origonality/Value: This theoretical model can be used as a conceptual foundation for empirical research on the drivers of corporate sustainability initiatives in a variety of settings. To gain a deeper comprehension of corporate sustainability adoption, it makes an effort to gain valuable insights into more than one single theory.
'Williamane’ style and the use of dynastic labels in the classification of colonial architecture
Authors: Ratcliff E
Published: January 2024

It is argued the term ‘Williamane’, as applied to an architectural style that emerged in the time of transition between the Georgian and Victorian periods in Britain and its colonies commonly referred to as the ‘Regency’, has particular validity and usefulness in the historiography of colonial architecture in Australia, notably when applied to some Italianate designs by James Blackburn and some of his contemporaries in Tasmania and other colonies. It is suggested that the use of the term might reasonably be extended to another contemporaneous style that is ‘Pointed’, but neither ‘Gothick’ nor ‘Victorian Gothic’.
Macroalgae of the Spring Bay area, Triabunna, Tasmania
Authors: KRAFT GERALD , Baker Matthew L.
Published: January 2024

As part of the Tasmanian Museum and Art Gallery’s (TMAG) ongoing research, collection-building and nature-discovery program, marine-macroalgal surveys were conducted in late 2019 at the disused woodchip loading wharf at Triabunna and at Louisville Point, on the east and west sides respectively of Spring Bay. Seven taxa are either new to science or new records for Tasmania. The survey, although a brief snapshot in time, significantly expands our knowledge of the macroalgae of the Spring Bay area and provides a baseline inventory to expand upon during future surveys.
Solving the mystery of the “Hobart Gold” – the identity and redescription of three Tasmanian leaf beetle species of the genus Paropsisterna motschulsky, 1860 (Coleoptera: Chrysomelidae: Chrysomelinae)
Authors: de Little David W. , Reid Chris A.M. , Lagerwey Martin
Published: January 2024

Three Tasmanian species of leaf beetles, belonging to the nobilitata species-group of Paropsisterna Motschulsky,1860, are identified and redescribed: P. hectica (Boisduval, 1835); P. simsoni (Blackburn, 1899); and P. vittata (Blackburn, 1899). Paropsisterna hectica is a senior synonym of P. aurea (Blackburn, 1899) (new synonym). A neotype is designated for P. hectica, and lectotypes designated for P. aurea, P. simsoni and P. vittata. Paropsisterna vittata, described from alpine Victoria, is identified in Tasmania for the first time, and its similarity to P. selmani Reid & de Little, 2013 noted. The brilliant living colours of the adults are illustrated. Paropsisterna simsoni (the “Hobart Gold”) is shown to be a valid species and not an immature form of P. aurea as previously suggested.
Análises da média diária e anual de incidência de radiação solar e medidas relacionadas à umidade do ar no ano de 2021 em novo Repartimento - Pará
Authors: Ferreira Luan Daniel Silva , Cruz Michelly de Souza , Coelho Rosana
Published: January 2024

A região amazônica é reconhecida por sua vasta diversidade biológica e ambiental e a região de maior importância para o equilíbrio do clima global. O objetivo do estudo foi analisar a incidência de radiação e os fatores relacionados à umidade do ar em escalas distintas. Foram utilizados dados do site do INMET para calcular as médias de radiação solar incidente, condição de vapor real, déficit de pressão de vapor, razão de mistura e umidade específica. Foi utilizado o programa R para calcular a média diária e anual das variáveis. Observou-se que a radiação solar incidente varia de 5,79 MJ m-2 dia-1 a 23,78 MJ m-2 dia-1, sendo a Rn máxima registrada durante o período menos chuvoso. A condição real de vapor d'água variou entre 1,5 kPa a 2,2 kPa no período chuvoso. A variação do DPV acompanhou as mudanças de temperatura e umidade. A razão de mistura variou entre 0,0009 e 0,0013 no período pluviométrico de maior intensidade (período chuvoso) e oscilou entre 0,0005 e 0,0011 no período pluviométrico de menor intensidade (menos chuvoso). A temperatura específica apresentou variação entre 0,0009 e 0,0013 no período chuvoso. Foi observada uma variação da temperatura específica de 0,0005 a 0,0011 entre as horas 7 e 16 no período menos chuvoso. Os resultados também são consistentes com outros estudos sobre a região, que indicam altos índices de umidade e variação da condição real de vapor de água de acordo com a época do ano e a localização geográfica.
Potencial poluidor de atividades industriais em uma cidade de médio porte sul brasileira como indicador para o biomonitoramento passivo da flora
Authors: Oliveira Ricardo Larroyed , Melo Júnior João Carlos Ferreira
Published: January 2024

O consumo excessivo e a produção insustentável provocam impactos negativos no meio ambiente. Em cidades de médio porte, onde a infraestrutura e os recursos para mitigação da poluição podem ser limitados, a problemática se torna ainda mais evidente. Este estudo visa avaliar o potencial poluidor, distribuição geográfica e população exposta aos poluentes em uma cidade de porte médio, utilizando pesquisa exploratória com dados secundários das Licenças Ambientais fornecidos por órgãos governamentais. Verificou-se a predominância de indústrias do setor moveleiro, com potencial poluidor moderado para contaminação do ar e água na maioria das localidades do município. A região central, com maior densidade demográfica, possui menos atividades industriais, mas apresenta grandes indústrias com potencial poluidor grave para contaminação do ar, água, solo e geral. A concentração de indústrias com alto potencial poluidor, como fabricação de tintas e solventes, em áreas menos habitadas, também pode afetar o meio ambiente e a população. Os sistemas de informação dos órgãos fiscalizadores apresentam limitações que dificultam o acesso e a falta de padronização de informações, como o Plano de Manejo de Resíduos. Logo, é fundamental o aprimoramento dos sistemas de controle e fiscalização ambiental para garantir o controle social e que atividades industriais sejam realizadas de forma segura e responsável, minimizando os riscos de exposição a substâncias tóxicas.
Geotecnologias Aplicadas à Análise da Morfometria: um estudo sobre duas bacias hidrográficas localizadas no Cerrado brasileiro
Authors: Pereira Maria Antonia Balbino , Alves Wellmo dos Santos , Oliveira Lucas Duarte , Morais Wilker Alves , Castro Raysa Moraes , Pilatti Hevrli da Silva Carneiro , Moura Derick Martins Borges de
Published: January 2024

A análise morfométrica pode ser usada como um instrumento de baixo custo e eficiente para subsidiar o processo de planejamento e a gestão dos recursos naturais e pode ser conduzida com a aplicação de geotecnologias como o sensoriamento remoto e os sistemas de informações geográficas. Nesse sentido, o principal objetivo do trabalho foi estudar e entender a morfometria das bacias hidrográficas do Córrego Indaiá e Córrego Grande para subsidiar políticas públicas nestas unidades de gestão agroambiental. Essas unidades hidrográficas estão localizadas no município de Rio Verde, Sudoeste Goiano, que é destaque nacional no agronegócio, além disso, ficam inseridas na bacia do Rio Verdinho, na qual atualmente há um projeto em fase de implementação para captação de água para atender a demanda hídrica da população urbana. As variáveis morfométricas e os mapas foram obtidas com o auxílio do software ArcGIS 10.6.1®. Para ambas áreas de estudo, se tem probabilidade de enchentes de acordo com os resultados verificados de coeficiente de compacidade, índice de circularidade e fator de forma. Com o índice de rugosidade, foi possível verificar uma fraca disponibilidade do escoamento da água superficial com o potencial erosivo. Com relação ao relevo, para ambas as bacias, os maiores percentuais se encontram em suave-ondulado seguido do relevo plano. Aliado a esses resultados, foi possível verificar áreas com presença de erosão nas duas bacias em estudo. Diante disso, se faz necessário ações antrópicas que contemplem manejos e práticas que visem a conservação dos recursos naturais.
Avaliação da Extração automática de Rede de Drenagem gerada a partir de dados do PE3D utilizando softwares livres
Authors: França Leandro Luiz Silva de , Lima Julio César Azevedo Luz de , Amorim Alessandro Rodrigues de , Sato Simone Sayuri , Neto Alfredo Ribeiro , Pessoa Sávia Gavazza dos Santos
Published: January 2024

A perfeita geração de linhas de drenagem ainda é um grande desafio. Existem diversos métodos e ferramentas para a extração automática das feições hidrográficas a partir de Modelos Digitais do Terreno (MDT), tanto em softwares proprietários quanto em soluções livres e de código aberto. Nesta pesquisa, foram comparados os resultados de extração automática de linhas de drenagem utilizando as ferramentas do System for Automated Geoscientific Analyses (SAGA) e o Geographic Resources Analysis Support System (GRASS), ambos softwares livres para Geographic Information System (GIS). Para o estudo, foram utilizados o MDT de 1 metro de resolução do Projeto Pernambuco Tridimensional (PE3D). A alta resolução de MDT é raramente disponível para a aquisição de redes de drenagem o que se torna instigante verificar a qualidade dos dois conjuntos de rede de drenagem gerados. Portanto, o objetivo do estudo realizado foi avaliar quanto a completude e acurácia posicional planimétrica das redes de drenagem geradas por esses dois softwares. Das análises, verificou-se que os algoritmos de geração automática da rede de drenagem do GRASS e SAGA GIS não apresentaram acurácia nem completude satisfatória para aplicações em projetos de engenharia em escalas maiores que 1:5.000. Ou seja, nessas escalas, ainda é necessária a fotointerpretação na aquisição manual da rede de drenagem, e posterior adequação do MDT, para torná-lo hidrologicamente consistente de forma a viabilizar seu uso nas modelagens hidrológicas e hidrodinâmicas em projetos de Engenharia Urbana.
Uso do biochar na sorção de contaminantes e restauração de solos degradados: uma revisão sistemática
Authors: Furtado Luan Alves , Coutinho Artur Paiva , Antonino Antônio Celso Dantas , Santos Neto Severino Martins dos , Silva Josielly Braz da
Published: January 2024

O biochar é um produto de biomassa submetido ao processo de pirólise, sob altas temperaturas e ausência de oxigênio. É um material que dispõe de uma produção de baixo custo e com vastas opções de aplicabilidade, entre as mais exploradas estão: recuperação de solos degradados pelas atividades agropecuárias e sorção de contaminantes através da biorremediação de áreas poluídas. Deste modo, este material objetiva demonstrar a produção e caracterização do biocarvão, e discutir suas aplicações para melhoramento de solos e redução da concentração de substâncias tóxicas e nocivas, como corantes têxteis e metais pesados, descartados indevidamente no meio ambiente, tudo isso a partir da seleção de referências relevantes que abordam de modo claro e consistente a aplicação do biochar e seus efeitos. A partir dos trabalhos analisados constatou-se que o biochar exerce um alto poder de sorção de uma variedade de poluentes emergentes, como: fármacos, pesticidas, corantes têxteis e metais pesados, retendo, em algumas aplicações, até 90% da concentração original do contaminante. Além disso, o biocarvão é uma das principais alternativas para recuperação de solos explorados por longos períodos como áreas de cultivo ou de pastagens, obtendo, para a grande maioria das aplicações do biochar a melhoria das propriedades do solo, como: pH, retenção de nutrientes e teor de carbono. Portanto, o biochar é um material carbonáceo com alta viabilidade produtiva e grande eficiência nos processos de biorremediação e recuperação de áreas degradadas.
Variabilidade espacial e temporal da energia cinética da atmosfera mediante dados de reanálises do NCEP
Authors: Araújo Lorranny Dias , Cavalcanti Enilson Palmeira , Souza Bárbara Silva , Silva Thiago Luiz do Vale
Published: January 2024

Neste estudo é analisado a variabilidade espacial e temporal da energia cinética global e regional da atmosfera, no período de janeiro de 1991 a dezembro de 2020, utilizando dados de reanálises do National Center for Environmental Prediction (NCEP). Esses dados foram processados mediante a plataforma Grid Analysis and Display System (GrADS), onde foram desenvolvidos scripts para o cálculo da energia cinética e sua integração vertical na atmosfera (Sup-100 hPa). Além de investigar sobre variações sazonais e interanuais, buscou-se detectar tendências nas séries temporais de energia cinética. Os resultados apontam variabilidade sazonal bem definida com máximos no período de inverno, dezembro-fevereiro para o H.N. e junho-agosto para o H.S. A distribuição espacial concentra maiores valores de energia cinética total em médias latitudes, provavelmente associado a Corrente de Jato. A variabilidade interanual, analisada pela técnica dos quartis, é baixa com média igual ou próximo da mediana variando em torno de 42,5 a 50,6 kJ/m2. Tendências suaves são observadas nas séries da média anual de energia cinética. É observado, também, tendência mais acentuada para os últimos 10 anos da série com tendência de acréscimo para o globo terrestre, H.N. e H.S. e decrescente para o NEB. Essas tendências se mostraram estatisticamente significativas à 95% e 99% pelo teste t de Student.
TRATAMENTO DE EFLUENTES INDUSTRIAIS DE UMA FÁBRICA PET FOOD
Authors: Ferreira Izabela Tereza Rodrigues , Marques Rosângela Francisca de Paula Vitor , Rodrigues Luciano dos Santos
Published: January 2024

A industrialização e balanceamento de produtos pet food gera efluentes correspondentes ao processo de toda produção, essas águas residuárias possuem alto potencial poluidor e causador de impactos ambientais. Neste contexto, objetivou-se avaliar o sistema de tratamento de efluentes industriais de uma fábrica pet food constituído de lodos ativados de fluxo intermitente em batelada. Para tanto, foram analisadas as variáveis de DBO, DQO, eficiência remoção de DBO, eficiência remoção de DQO, Óleos e Graxas Total, pH, Sólidos Sedimentáveis, Sólidos Suspensos Totais, Surfactantes Aniônicos, Temperatura da Amostra, entre os meses de janeiro de 2020 a julho de 2021, totalizando 18 campanhas amostrais; bem como Nitrogênio Amoniacal e Nitrogênio Total, sendo análises trimestrais, totalizando 6 campanhas amostrais, dos efluente de entrada e saída do sistema de tratamento. Tabulou-se os dados por meio do programa Excel e gerou-se gráficos Box-Plot temporais de entrada e saída, e ainda, foi verificada o atendimento a legislação aplicável para lançamento dos efluentes. O sistema de lodo ativados, demonstrou-se eficiente na remoção de DBO e DQO superior a 90% em todas as amostras analisadas, sendo o valor médio de concentração efluente de 152 mg.L-1 para DBO e 290 mg.L-1 para DQO. Apesar de terem sido constatadas algumas não conformidades, estas foram pontuais e o sistema demonstrou-se altamente eficiente para as variáveis avaliadas como remoção de matéria orgânica e nutrientes. A melhoria do sistema apresentada é a instalação de uma calha parshall e foi sugerido que para as próximas análises considerem os parâmetros fósforo, cor e turbidez aparente.
ATUAÇÃO DE DIFERENTES CORRETIVOS NA RECUPERAÇÃO DE SOLO SALINO-SÓDICO CULTIVADO COM PITHECELLOBIUM DULCE (ROXB.) BENTH
Authors: Tito Sousa Ivana , De Souza Ferraz Diogo , Lima De Carvalho Rafael , Medeiros da Silva Alan , Medeiros de Figueredo Júnior Luís Gonzaga , D Albuquerque Junior Boanerges Siqueira , Correa Santos Silvia
Published: January 2024

A recuperação dos solos halomórficos da região Nordeste brasileira está condicionada à redução das concentrações dos sais dissolvidos e do sódio trocável, na magnitude que possibilite o crescimento e a produção vegetal. Por essa razão, objetivou-se, com este trabalho, avaliar o efeito de corretivos químicos, na recuperação de um solo salino-sódico, cultivado com Pithecellobium dulce. Dois experimentos foram conduzidos, em ambiente protegido, utilizando-se amostras de um solo salino-sódico, da camada de 0-20 cm, acondicionados em vasos, preenchidos com 3 dm3 do solo. O primeiro experimento constou de três tratamentos de correção do solo: sem corretivo (SC), gesso agrícola na dose de 100% da necessidade de gesso (G) e enxofre elementar (S), com 10 repetições. No segundo experimento, avaliou-se o crescimento inicial da espécie arbórea, em função de três tratamentos referentes à correção do solo do primeiro experimento, e um tratamento com substrato não salino, com seis repetições. A aplicação de gesso agrícola melhorou quimicamente o solo salino-sódico estudado, sobretudo, diminuindo a percentagem de sódio trocável. A adição do enxofre elementar foi eficiente na redução da alcalinidade e salinidade do solo. O tratamento com gesso proporcionou aumentos significativos na altura e no incremento em altura das plantas, em relação ao tratamento sem corretivo, e na altura, no diâmetro do coleto e massa da matéria seca das raízes, em relação ao tratamento com enxofre. No entanto, o ambiente edáfico mais equilibrado quimicamente favoreceu um maior crescimento das plantas no substrato não salino.
Asociación entre creencias racionales e irracionales y la satisfacción con la vida: una revisión sistemática con meta-análisis
Authors: Gómez-González Oscar , Castro Zazueta Nancy Pamela , Santoyo-Telles Felipe , González Betanzos Fabiola
Published: January 2024

La Terapia Racional Emotivo Conductual (REBT), es una psicoterapia cuyo objetivo es mejorar el bienestar al disminuir las creencias irracionales (CIs) y aumentar las creencias racionales (CRs). La REBT se implementa internacionalmente, pero pocos estudios validan sus supuestos teóricos, particularmente, sobre variables psicológicas positivas, como la satisfacción con la vida (SV). El objetivo fue analizar si la evidencia corrobora los supuestos teóricos de la REBT, donde la SV debería asociarse negativamente con las CIs, y positivamente con las CRs. Se realizó una revisión sistemática con meta-análisis con base en la declaración PRISMA. Se incluyeron estudios, de cualquier fecha, que estimaran estadísticamente la asociación entre CRs y CIs con la SV, en cualquier población. 11 estudios cumplieron los criterios de inclusión. Los resultados muestran contradicciones a los supuestos de la REBT. Algunas CRs y CIs no se asociaron significativamente con la SV, e incluso, algunas CIs predijeron positivamente la SV. Como conclusión, futuros estudios permitirían corroborar estos resultados y sugerir actualizaciones pertinentes a los supuestos de la REBT.