bluuebunny/crossref_metadata_2025 huggingface dataset:
Regeneration of the Austrian forests and browsing impact – Insights from the latest National Forest Inventory
Authors: Gschwantner Thomas , Schodterer Heimo , Kainz Christoph , Freudenschuß Alexandra
Published: November 2024

The initial development stage of forests forms the basis for the future tree generation. Various driving and interacting factors determine the regeneration process at small and large scale. Based on the latest Austrian National Forest Inventory 2016–2021 the regeneration assessments and estimation methods were collated. Analyses were conducted to estimate the forest area regarding regeneration necessity and occurrence, the causes of regeneration deficits, the origin from natural and artificial regeneration, tree species occurrence as well as browsing impact.

The results show a sea level gradient of increasing shares of necessary but missing regeneration, ranging between 15% at the lowest and 60% at the highest altitudes. Accordingly, high shares can be found in protective forest without yield (50%) and in the growth regions of the mountainous areas of the Alps (up to 40%). Due to the multitude of driving and interacting factors, the assessed causes of regeneration deficits show divers patterns. Light as a limiting factor appears to be more relevant at low altitudes, and competition through ground vegetation is highest at low and high altitudes. The influence of the humus layer on the seed bed was assessed to increase with altitude, as well as the impact of forest pasture, while game browsing as cause of regeneration deficits show no clear tendency over the analysed strata. About 91% of the necessary and occurring regeneration originates from natural regeneration and the remaining from artificial or a mixture of both regeneration types. The number of tree species in the ground vegetation layer decreases with altitude. Considering browsing impact the results show percentages of affected areas between 40% and 80%. The highest browsing impacts were found at intermediate altitudes between 600 and 1,500 m above sea level.

From a large-scale perspective as provided by NFIs, the results show divers patterns of regeneration necessity and occurrence and impacts on the regeneration. Representative large-scale monitoring by NFIs provides the opportunity to identify and quantify the adverse impacts and forest strata that are affected by regeneration deficits, and therefore support the development of forest management strategies that aim at the establishment of the future tree generation under changing climate conditions.
Legal Transformation of a Public Tertiary Institution: Turnaround and Public Interest of the Ghana Institute of Management and Public Administration (GIMPA)
Authors: Agomor Kingsley S.
Published: November 2024

Just over a decade ago, public tertiary institutions depended on the government for funding and received instructions on running their day-to-day affairs from the state. Recently, GIMPA a public tertiary institution deployed legal options to gain autonomy to stabilize its financial performance and service delivery. This article updates the progress that has since been made in understanding the reversal of the stressful financial situation of the institute through the lens of the existing legal framework. Further, the paper examined an ambitious organizational structure dwelling on a robust legal framework to redirect management policies, rules, regulations, and functional decisions of a public tertiary institution serving public management and public administration training and consultancy. Termed “legal framework,” this set of legal instruments is cultivated into efficient and effective operations that yield financial stability that ensures growth and is trajected towards national development.
Distribution and neurochemical characterisation of neurons containing neuregulin 1 in the enteric nervous system within the porcine small intestine
Authors: Puchała Łukasz , Gonkowski Sławomir , Rytel Liliana , Wojtkiewicz Joanna , Grzegorzewski Waldemar Jarosław
Published: November 2024

Introduction

The enteric nervous system (ENS) in the wall of the gastrointestinal tract is complex and comprises many neurons, which are differentiated in terms of structure, function and neurochemistry. Neuregulin 1 (NRG 1) is one of the neuronal factors synthesised in the ENS about the distribution and functions of which relatively little is known. The present study is the first description of the distribution of NRG 1 in the ENS in various segments of the porcine small intestine.

Material and Methods

Fragments were excised from the duodenum, jejunum and ileum of five euthanised Piétrain × Duroc sows, 18–20 kg in weight and eight weeks of age. Paraformaldehyde-fixed and dehydrated tissue was sectioned and double-labelling immunofluorescence was performed using Alexa Fluor-conjugated secondary antibodies to visualise neuregulin 1 and its colocalisation with vasoactive intestinal polypeptide (VIP), galanin (GAL), and the neuronal isoform of nitric oxide synthase (nNOS) in the myenteric and inner and outer submucosal plexuses, with PGP 9.5 serving as a pan-neuronal marker.

Results

Neuregulin 1 was observed in all enteric plexuses in each segment of the small intestine. The percentage of NRG 1-positive neurons ranged from 8.38 ± 0.55% of all neurons in the jejunal inner submucous plexus to 21.52 ± 0.98% in the duodenal myenteric plexus. Cells which were NRG 1-positive also contained VIP, GAL and nNOS in all segments of the small intestine to a degree which varied by small intestine segment and enteric plexus type.

Conclusion

The results indicate that NRG 1-positive neurons are present in the ENS of the porcine small intestine and differ significantly neurochemically, which may suggest a multifaceted role for NRG-1 in the controlling of the small intestine activity.
Recomandările naționale ale Societății Croate de Biochimie și Medicină de Laborator pentru recoltarea, prelucrarea probelor de sânge, performanța testării și raportarea rezultatelor pentru testele screening de hemostază: timp de protrombină, timp de tromboplastină parțială activată, timp de trombină, fibrinogen și D-dimeri
Authors: Bronić Ana , Herak Desiree Coen , Margetić Sandra , Milić Marija
Published: November 2024

Laboratoarele moderne de diagnostic dispun de un spectru larg de teste pentru hemostază utilizate în diagnosticarea și managementul pacienților cu tulburări hemostatice, în screeningul preoperator și în monitorizarea terapiei anticoagulante. Un studiu recent care a inclus laboratoarele de biochimie medicală și de transfuzie din Croația a evidențiat existența unor practici diferite în anumite etape ale procesului de testare a hemostazei și a evidențiat domeniile care necesită îmbunătățiri. Lipsa standardizării testelor, împreună cu nearmonizarea rezultatelor între diferite metode de măsurare, pot determina luarea unei decizii incorecte în tratamentul pacienților, compromițând astfel siguranța pacientului. Prin urmare, cu scopul de a sprijini laboratoarele să genereze rezultate exacte și de încredere, acest articol face recomandări cu privire la procedurile pentru fazele preanalitică, analitică și postanalitică ale celor mai comune teste de investigare a hemostazei: timpul de protrombină, timpul de tromboplastină parțială activată, timpul de trombină, fibrinogen și D-dimeri.
Biomarkers of acute kidney injury: a concise review of current literature
Authors: Văcăroiu Ileana Adela , Balcangiu-Stroescu Andra Elena , Șerban-Feier Larisa Florina , Cuiban Elena , Simion Ioana Sorina , Stănescu-Spînu Iulia Ioana , Miricescu Daniela , Greabu Maria , Chiperi Liviu Vasile , Bălan Daniela Gabriela
Published: November 2024

Background

Acute kidney injury (AKI), a medical condition associated with increased hospitalization rates which requires interdisciplinary management, is a major health concern because of the burden it places on the health systems of different countries. Biomarkers represent the focus of recent years in furthering the early diagnosis of AKI, providing new opportunities for correct prophylaxis or early therapeutic intervention so that the evolution of patients with this pathology is favorable and the risk of life-threatening complications is negligible.

Methods

We performed an extensive literature search on PubMed and ScienceDirect databases, using keywords related to bio-markers for AKI. We searched for acute kidney injury (AKI), cystatin C (CYS-C), galectin-3 (GAL-3), kidney injury molecule-1 (KIM-1), neutrophil-gelatinase-associated lipocalin (NGAL), interleukin-8 (IL-8), and liver-type fatty acid-binding protein (L-FABP). We included a high number of papers, with an emphasis on more recent publications.

Results

Studies that analyzed the biomarkers for AKI show that CYS-C, GAL-3, KIM-1, NGAL, IL-8, calprotectin, and proteinuria were noted as potential biomarkers for early diagnosis of AKI.

Conclusions

Biomarkers represent the focus of recent years in furthering an early diagnosis of AKI, providing new opportunities for correct prophylaxis or early therapeutic intervention.
Investigation on Per- and Poly-Fluoroalkyl Substances Sources and Removal in a Municipal Wastewater Treatment Plant
Authors: Mezzanotte Valeria , Brivio Sforza Emilio
Published: November 2024

PFAS (per- and poly-fluoroalkyl substances) is a complex family of manmade highly fluorinated aliphatic organic chemicals including thousands of chemical structures identified. A research was carried out at a municipal wastewater treatment plant (MWWTP) in Northern Italy to define the inflowing load of PFAS, the main load sources and the removal efficiency of the treatment processes. Then, the 100 industrial settlements served by the MWWTP were examined, and 8 of them were selected as potential PFAS sources. The calculated loads summed up to 98.5 % of the total load entering the plant. The removal in the WWTP was null and, in some cases, negative. As also reported in the literature some precursors can be transformed in PFAS during the biological process and some sludge accumulated compounds can be released.
Creating an Environmentally Friendly Propane-Powered Gas Turbine Device
Authors: Shalamberidze Marlen , Tskipurishvili Tamar , Lobzhanidze Giorgi , Zivzivadze Lali
Published: November 2024

A hypothesis is proposed on the possibility of creating a gas turbine electric power-generating device working on fuel gas, and propane, and the results of preliminary research experiments are given to evaluate the validity of this hypothesis. The criteria for mixing fuel gas-propane with air and assessing the quality of combustion have been identified. In particular, the colour of the fuel gas combustion and the force acting on the gas turbine blade of the flue gas flow injected from the combustion chamber. At atmospheric pressure, without heating, the optimal content of the mixture of propane and air, and the force acting on the gas turbine blade have been experimentally determined. An experimental relationship between the force acting on the gas turbine blade and the diameter of the combustion chamber has been obtained, by which it is possible to determine the diameter and height required for the chamber of a specific capacity according to the force acting on the gas turbine blade. A simplified method is proposed to determine the possible amount of electrical energy depending on the force acting on the gas turbine blade. It has been shown that when burning an optimal mixture of propane with air, two chambers with a capacity of 0.1 m3 can ensure the nominal operation mode of a 1.5 kW capacity electric generator.
Study of the Microbiological Efficiency of a Hospital Ventilation System With Hepa Filtration in the Prevention of Airborne Pathogens
Authors: Santos Ricardo Andrade , Hasslocher-Moreno Alejandro Marcel
Published: November 2024

Objective: To evaluate the microbiological efficiency in air conditioning systems with HEPA filtration in an infectious disease hospital.
 
Theoretical Framework: Air conditioning in intensive care units and wards must consider the spread of microorganisms through respiratory pathways, as both patients and healthcare professionals are exposed to infectious agents transmitted by bioaerosols. Due to the possibility of environmental infection, there is a growing recognition that poorly designed air conditioning systems enhance the transmission of pathogens in areas with constant flow of individuals, particularly immunocompromised patients, who are more susceptible to infections. Air conditioning with HEPA filtration is a hospital engineering technique that shows great potential for filtering airborne contaminants, thereby reducing their dispersion in the environment.
 
Method: Air samples were collected using the active impaction method over a 32-week period in the intensive care unit and wards of a reference hospital for infectious diseases.
 
Results and Discussion: In the hospital environment, 67% of fungi and 33% of bacteria were identified, along with their respective subcategories. The colony-forming unit count exceeded the standards established by current regulations. The study highlights that hospital air is a pathway for the transmission and persistence of pathogenic microorganisms.
 
Research Implications: The importance of ensuring a safe and healthy hospital environment is emphasized.
 
Originality/Value: There are few studies addressing pathogens transmitted by bioaerosols. This study contributes to expanding knowledge on this topic and suggests the need for a review of current regulatory standards.
Análise Dinâmica do Capital de Giro: Um Estudo Aplicado as Empresas do Agronegócio Listadas na B3
Authors: Dib Karime , Boas Dalila da Silva Vilas , Machado Julio Henrique
Published: November 2024

Objetivo: O setor agrícola apresenta grande importância na economia brasileira, representando 23,8% do PIB em 2023, segundo dados do CEPEA (Centro de Estudos Avançados em Economia Aplicada). Considerando a relevância do setor, o artigo tem como objetivo analisar o capital de giro das empresas que o compõem.
 
Referencial Teórico: Foi utilizada a literatura de administração financeira para estabelecer o quadro teórico e descrever a metodologia de análise aplicada. O Modelo Fleuriet de análise dinâmica do capital de giro serviu como embasamento para conhecer as características e composição desse tipo de investimento, estabelecer o montante de financiamento necessário e apurar se houve saldo de recursos disponíveis para folga financeira.
 
Método: Realizou-se um estudo baseado em pesquisa documental e descritiva, com abordagem quantitativa. Foram estudadas cinco empresas do agronegócio brasileiro listadas na bolsa de valores Brasil, Bolsa, Balcão - B3, compreendendo o período entre 2016 a 2018. Os resultados foram tabelados e discutidos conforme o objetivo traçado.
 
Resultados e discussão: Verificou-se que a maioria das empresas não apresentam folga financeira e que a qualidade das decisões financeiras envolvendo capital de giro não depende do tamanho da firma.
 
Implicações da Pesquisa: Espera-se contribuir com estudos financeiros sobre o setor de agronegócio, servindo como subsídios para novas investigações acadêmicas.
Optimización de recursos en microempresas
Authors: Valenzuela Ruiz Jorge , Mayorquin Jimenez Anell , Ramirez Lopez Edwin Alexis , Sanchez Quintero Yair
Published: November 2024

El documento aborda la optimización de recursos en microempresas, centrándose en tiendas de abarrotes en México. Se presenta un enfoque práctico para maximizar el impacto de las campañas de marketing a través de la asignación eficiente de recursos, como el presupuesto y el tiempo del personal. Se discuten estrategias de marketing digital y tradicional, así como la importancia de la conexión con la comunidad local. Se destaca la implementación de un modelo de programación lineal para tomar decisiones informadas y rentables.
Hacia una movilidad urbana más eficiente
Authors: Compañ Sarmiento Rodrigo , Rodriguez Campechano Janeth , Lorenzo Gamboa Valeria de Jesus , Cantero García Nayeli Sareli , Bichi Delgado Estefany
Published: November 2024

Este estudio aborda la optimización del tráfico vehicular en una intersección de la ciudad de Tuxtepec, Oaxaca, aplicando un modelo de líneas de espera (M/M/S) y simulación Monte Carlo. Se realizaron observaciones en campo para obtener datos sobre tiempos de llegada de vehículos y tiempos de servicio de semáforos. Se calcularon las medidas de desempeño del modelo con las tasas de llegada, tasas de servicio y utilización del sistema. Posteriormente, se simuló el comportamiento del flujo vehicular bajo diferentes escenarios, identificando puntos de saturación. Los resultados muestran que, con tasas de llegada constantes, el sistema opera de manera estable. Sin embargo, con tasas de llegada máximas, ciertas vías comienzan a saturarse. Estos hallazgos sientan las bases para optimizar los tiempos de sincronización de los semáforos en fases posteriores del proyecto.
Las Metrópolis de Veracruz y sus circunstancias económicas
Authors: Fortuno Hernández Josefa Carolina , Vela Martínez Rafael
Published: November 2024

Actualmente el estado de Veracruz cuenta con siete Zonas Metropolitanas (ZM), también llamadas economías de aglomeración, las cuales no han podido generar un efecto multiplicador hacia los municipios adyacentes de sus nodos urbanos centrales, impidiendo que se generen economías de escala de mayores dimensiones en las áreas urbanas y que se conforme una base para su crecimiento económico. Consideramos que esta circunstancia se debe a que existe una concentración económica denominada Macrocefalia Económica y a la aparición de ciudades dormitorio; condicionantes muy importantes para el desarrollo económico del estado de Veracruz. Por ello, este artículo tiene como objetivo determinar si en las ciudades centrales o nodos urbanos de las ZM veracruzanas existe concentración de las actividades económicas y ciudades dormitorio a través de sus unidades económicas y de la distribución de su población económicamente activa ocupada por lugar de trabajo. Concluimos que las ZM presentan Macrocefalia Económica y esto ha generado la aparición de ciudades dormitorio en la periferia de dichos nodos.
Masyarakat Lokal dalam Konfigurasi Kapitalisme Negara di Sektor Pariwisata Studi Kawasan Ekonomi Khusus Mandalika
Authors: Chaniago Dwi Setiawan , Nugroho Heru , Isbah M Falikul
Published: November 2024

Local communities face a situation of infiltration of state capitalism along with the development of the Mandalika Special Economic Zone in Central Lombok. The process of developing regional infrastructure and regional infrastructure carried out by the Development and Management Business Entity with the large support of State-Owned Enterprises raises the question of the extent to which the development process carried out has implications for the lives of local communities. This study aims to determine the implications of the state capitalism approach in the development of the Mandalika special economic zone for local communities as seen from the implementation of the MotoGP event in the Mandalika area. This research is a case study research with a qualitative approach. This research shows an imbalance in the role of state statism intervention in the distribution of benefits from economic regulatory activities by SOEs that are more business-oriented than social development in favor of local communities. This is because the strategy of infrastructure development and event implementation in the region operates in the realm of political goals rather than achieving economic goals at the local level. The support of state statism through events is politically directed to stimulate the activities of business actors in the region and attract investors to be further involved in regional development rather than oriented towards the benefits of local communities directly. The configuration of state capitalism actors in the operation of Mandalika SEZ shows the characteristics of state capitalism characterized by economic inclusive nationalism that combines state statism intervention through strengthening the role of BUMN while opening up opportunities for the involvement of international investors, corporations and business actors in supporting regional development.
An Assessment of Neighborhood Safety Concerns in South African Peripheral Urban Communities
Authors: Ndamase Siwakhe , Obioha Emeka E
Published: November 2024

Given the current crime situation in South Africa, this present study investigates the nature of residents' neighborhood safety concerns, the social and demographic determinants, and how to ameliorate the situation in peripheral urban communities. The study used a sample of 110 participants drawn through a stratified random sampling technique from the adult population of peripheral urban communities of Libode and Ngqeleni in South Africa. The study adopted a mixed method approach, dominated by a quantitative approach, where a survey instrument (Questionnaire) was mainly used to collect data. The study found youth unemployment in the area, night walks, absence of organized neighborhood watch, lack of police visibility, and abandoned houses as major critical safety concerns in the communities' neighborhoods. Notably, most residents expressed safety concerns, but higher neighborhood safety concerns were significantly associated with marriage, lower number of years living in the neighborhood, and femaleness. On the other hand, even though more urbanized locations, being old (over 60 years), being employed, salaried, and of high school level are associated with higher safety concerns in the neighborhood, but not at a statistically significant level. While residents believe that more job creation and community participation in organized neighborhood watch could be a source of solution, this study's major implication lies in the importance of addressing these critical factors in the relevant policies and practices in the country.
RELASI KUASA TERHADAP KONSTRUKSI PENGETAHUAN DI SEKOLAH PERSPEKTIF MICHEL FOUCAULT DAN REFLEKSI ATAS SISTEM PENDIDIKAN DI INDONESIA
Authors: Siswadi Gede Agus
Published: November 2024

Penelitian ini bertujuan untuk menganalisis peran kuasa dalam pembentukan konstruksi pengetahuan di lingkungan pendidikan, khususnya pada sistem pendidikan Indonesia, dengan menggunakan perspektif teori Michel Foucault. Metode yang digunakan dalam penelitian ini adalah metode kualitatif dengan pendekatan hermeneutik filosofis. Penelitian ini menyoroti bagaimana kuasa berperan sebagai elemen kunci dalam proses konstruksi pengetahuan di sekolah-sekolah. Konsep kuasa Foucault digunakan untuk memahami bagaimana institusi pendidikan, melalui kurikulum, aturan, penilaian, dan struktur kelembagaan, memengaruhi pembentukan pengetahuan yang diterima oleh siswa. Analisis dalam penelitian ini juga menyoroti bagaimana kuasa politik, ideologi, dan nilai-nilai budaya tercermin dalam sistem pendidikan Indonesia, membentuk narasi tertentu dalam kurikulum dan pembelajaran. Selain itu, penelitian ini juga menunjukkan bahwa kuasa berperan secara signifikan dalam konstruksi pengetahuan di sekolah, dengan pengaruh yang kuat dari faktor-faktor eksternal seperti kebijakan pemerintah, ideologi, dan nilai-nilai budaya. Implikasinya adalah perlunya refleksi kritis terhadap sistem pendidikan Indonesia, dengan menekankan inklusivitas, pluralitas perspektif, dan pemenuhan kebutuhan siswa yang beragam untuk memperkaya konstruksi pengetahuan dalam kurikulum dan proses pembelajaran.
PENERAPAN METODE BOLA SALJU (SNOW BALL) DALAM PEMBELAJARAN
Authors: I WAYAN AGUS ARIAWAN
Published: November 2024

Metode snow ball adalah  metode pembelajaran yang dapat menggali potensi kepemimpinan perserta didik dalam kelompok dan ketrampilan membuat dan menjawab pertanyaan yang dipadukan melalui suatu permainan imajinatif membentuk dan melempar bola salju. Sehingga metode pembelajaran dapat melatih potensi kepemimpinan. Metode Snow Ball dapat diterapkan dengan 3 cara diantaranya melalui Pengambilan Sampel Bola Salju Linier, Bola Salju Non-Diskriminatif Eksponensial  dan Sampel Bola Salju Diskriminatif Eksponensial
Soil arthropod diversity, richness, and abundance in agroecological and conventional cotton production systems in Chaco, Argentina
Authors: Rojas Julieta Mariana , Spoljaric Monica Viviana , González Julio Rolando , Lacava Mariángeles , García Hernández Luis Fernando
Published: November 2024

In Argentina, agroecology has grown in last years as a scientific paradigm that seeks to design and evaluate agroecosystems considering sustainability, complexity, and uncertainty. Diversity is a key factor in the design and management of production systems and a necessary component for conservation biological control and the reduction of agrochemicals use. Cotton (Gossypium hirsutum) crop in northern Argentina is usually managed with high load of agrochemicals: agroecological production arises as an alternative. This study evaluated the diversity, richness, and abundance of soil arthropods using pitfall traps in two experimental cotton plots under conventional (CONV) and agroecological management (AE) in Chaco, Argentina. AE system presented higher diversity and richness of predators compared with CONV, even when natural preparations were used for pest control. The phytophagous arthropods showed higher diversity and richness in CONV, even when pyrethroid insecticides were applied for pest control and preventively. The abundance in AE was lower for predators and higher for phytophagous arthropods. Agroecological production of cotton can be a tool that favors conservative biological control and an alternative for areas where protecting the health of farmers and the ecosystem is a priority.
Fault Diagnosis of Power Components with Reliability Assessment in Extraterrestrial Microgrids
Authors: Chebbo Leila , Nisar Hasnain , Bazzi Ali
Published: November 2024

This research investigates the possible failures caused by aging and other environmental and external factors that could significantly impact the performance of extraterrestrial power systems. Additionally, it presents a reliability assessment model for the space microgrid based on fault tree analysis (FTA). The reliability assessment model developed in this paper represents a tool that can be used by engineers to harden the system design for operational and economic benefits. To improve the reliability of the system, this work provides a broad review of the different fault detection and diagnosis (FDD) algorithms used for power microgrids and space applications. Using data sets from the Habitat Simulator developed through the NASA-funded Resilient Extraterrestrial Habitat Institute, this paper compares the applicability and accuracy of the different FDD methods. The primary FDD approach proposed and assessed in this work is based on the Markov reliability model. It predicts and detects future faults in the space microgrids by using past data samples and categorizing them into different classes. Data-driven-based models such as artificial neural networks are also investigated, tested, and evaluated using simulation data sets. According to the simulation results and the broad FDD algorithm comparison, this study provides the crew or maintenance engineers with a clear methodology to detect and localize power system failures.
Translate and cross-culturally adapt the original English version of the lower extremity functional scale into the Sinhalese version
Authors: Thebuwanaarachchi Sanka Theekshana
Published: November 2024

Objectives:

Functional ability is critical for quality of life (QOF), and its evaluation is vital in a clinical context. However, there is a deficiency of a universally recognized grading scale in Sinhala for assessing functional capacity in athletes with lower extremity musculoskeletal conditions. This research aimed to validate the linguistic and cross-cultural adaptation of a translated Sinhala version of the lower extremity functional scale (S-LEFS).

Materials and Methods:

A two-stage observational study was conducted. The lower extremity functional scale was cross-culturally adapted to Sinhala through independent, double forward, and backward translation. An experienced clinical researcher tested the translated version to establish the linguistic validation of S-LEFS. The finalized version was validated for construct, convergent, and criterion validity. A total of 112 participants, comprising 57 healthy (50.89%) and 55 unhealthy (49.11%) lower limb athletes, completed S-LEFS.

Results:

S-LEFS demonstrated excellent reliability with a Cronbach’s alpha of 0.952. Exploratory factor analysis revealed good factor loadings (>0.48) for all 20 items, with three components accounting for 70.63% of cumulative variance. Scale got a sensitivity of 87.5% and specificity of 81% at a cutoff point of 67.5. Kaiser-Meyer-Olkin (KMO) value was 0.918 (P < 0.0001), and Bartlett’s Test of Sphericity was significant (P < 0.01). No correlation was detected between S-LEFS and World Health Organization QOF-Bref (r = 0.281).

Conclusion:

S-LEFS is a reliable and valid tool for evaluating lower limb function in athletes.
Predicting C-H activation through hydride affinity and homolytic bond dissociation energies
Authors: Borup Rasmus M. , Ree Nicolai , Jensen Jan H.
Published: November 2024

Predicted bond dissociation energies (BDEs) can be used to identify C-H bonds that are most likely to react in H-abstraction reactions. However, in many cases, it is not clear whether the reaction oc- curs through a radical or carbocation intermediate. Thus, the C-H hydride affinity (hydricity) may be more predictive of reactive sites than BDEs. In this paper, we introduce HAlator, a quantum chemistry (QM)-based workflow for automatic computations of C–H hydricities, that we bench- mark against 35 experimentally determined C-H hydricities in DMSO. We train the ML model on a diverse dataset of 3278 C-H sites from 740 molecules with C–H hydricities obtained using the QM-based workflow. Our ML model predicts C–H hydricities with a mean absolute error (MAE) and a root mean squared error (RMSE) of 2.30 and 3.74 kcal/mol, respectively. Furthermore, we apply our QM-based workflow and ML model to 250 hydride transfer-like reactions (H abstrac- tions: C-N, C-C, C-X, carbene insertions, oxidations, and oxidative degradation). We further ex- plore the use of ALFABET, an ML model based on BDEs, and achieve a Matthew’s correlation coefficient (MCC) between 0.20 and 0.80 across the models.
Insights into the microphase separation of polystyrene-b-polyproline: Role of polyprolines' secondary structure
Authors: Roy Raj Kumar , Bisht Arjun Singh , Samanta Subhendu , C Sneha , Alwera Shiv Kumar
Published: November 2024

Understanding the role of polymers' secondary structure on self-assembly provides a deeper insight into structure-property relationships and is also imperative for designing functional materials. This study investigates the self-assembly of a multi-structured rod-coil diblock copolymer consisting of poly(L-proline) and polystyrene (PS) segments. The unique feature of these diblock copolymers is that the secondary structure of polyproline (PLP) blocks can independently be tuned into two distinct conformations (PPI and PPII). Furthermore, a high energy barrier (81 KJ/mole) associated with the conformational transition between PPI and PPII structures makes it attractive to study the influence of the secondary structure on self-assembly under thermodynamic equilibrium. Thus, the self-assembly of this block copolymer was investigated in terms of the molecular weight and composition of the individual blocks and their secondary structures. A pair of diblock copolymers (PSm-b-PLPn) with differing polyproline block lengths have been synthesized. It has been found that irrespective of the length of the PLP block studied here, the diblock copolymer with trans-polyproline (PPII) self-assembled and microphase separated into a lamellar morphology. However, the diblock copolymer with a cis-polyproline (PPI) segment does not exhibit a well-defined microphase-separated structure despite having identical compositions and molecular weights. As a result, secondary structures are shown to play a role in self-assembly.
Multiple Emission Peaks Hinder Polariton Condensation in 2D Perovskite Microcavities
Authors: Gomez-Dominguez Martin , Quirós-Cordero Victoria , Rojas-Gatjens Esteban , Koch Katherine A , Kumar Evan J , Perini Carlo A.R , Stingelin Natalie , Silva Carlos , Srimath Kandada Ajay Ram , Menon Vinod , Correa-Baena Juan-Pablo
Published: November 2024

Two-dimensional metal halide phases, commonly known as 2D perovskites, have emerged as promising materials for exciton polaritons, particularly for polariton condensation. This process entails the spontaneous accumulation of population in the polariton ground state and relies on efficient energy relaxation. In this class of materials, this relaxation is mediated by exciton reservoir emission, which pumps polariton states through radiative pumping. To achieve strong light-matter coupling and sustain a high polariton density, the material must possess excitations with large oscillator strength and high exciton binding energy. While 2D perovskites exhibit these desirable characteristics, there are no reports of room-temperature polariton condensation and only one successful demonstration at cryogenic temperatures. In this work, we systematically explore the role of energy alignment between the exciton reservoir emission and the lower polariton branch in populating the polariton ground state via radiative pumping. Through cavity detuning, we shift the lower polariton energy minimum to overlap with the emission of the exciton reservoir at different energies. We identify that the multiple radiative pathways of 2D perovskites lead to inefficient radiative pumping of the lower polariton branch at the lowest energy state, ultimately posing challenges for polariton condensation in this class of materials.
Bonding of N-Heterocyclic Carbenes on Metal Nanoparticles
Authors: Santos Alyssa , Jensen Lasse , Knizia Gerald
Published: November 2024

This work studied the bonding of N-heterocyclic carbenes (NHCs) with systematic modifications to their structures, including their wingtips, functional groups, back- bones, metal surfaces, and orientation. We apply two separate analysis methods: en- ergy decomposition analysis with natural orbitals for chemical valence (EDA-NOCV) and intrinsic bonding orbitals (IBOs). We determined that the binding energy of these systems is described almost entirely by the orbital interaction energy as obtained by EDA-NOCV due to the dispersion being cancelled by the steric repulsion. We further explore the σ and π orbitals and how they change across systems. Finally, bis- complexes were explored via IBO, EDA-NOCV, and energy differences as compared to the monomeric versions. The two σ bonds connected the NHCs to the central Au atom are proposed to be 4-electron, 3-center bonds. We note that this is likely an accurate way to view bonds of monomeric NHCs on metal surfaces as well.
Exploration of crystal chemical space using text-guided generative artificial intelligence
Authors: Park Hyunsoo , Onwuli Anthony , Walsh Aron
Published: November 2024

The vastness of chemical space presents a long-standing challenge for the exploration of new compounds with pre-determined properties. In materials science, crystal structure prediction has become a mature tool for mapping from composition to structure based on global optimisation techniques. Generative artificial intelligence (AI) now offers the means to efficiently navigate larger regions of crystal chemical space informed by structure-property datasets of materials. We introduce a model, named Chemeleon, designed to generate chemical compositions and crystal structures by learning from both textual descriptions and three-dimensional structural data. The model employs denoising diffusion techniques for compound generation using textual inputs aligned with structural data via cross-modal contrastive learning. The potential of this approach is demonstrated for multi-component compound generation, including the prediction of stable phases in the Li-P-S-Cl quaternary space of relevance to solid-state batteries. Our work highlights the potential of bridging geometric and linguistic data to unlock approaches to materials design.
Exploring Magnesium- and Calcium-Ion Conductors Via Solid-State Metathesis Reactions
Authors: Masese Titus , Kanyolo Godwill , Miyazaki Yoshinobu , Tachibana Shintaro , Kubota Keigo , Ishida Naoya , Tada Kohei , Ozaki Hiroyuki , Okumura Toyoki , Takeda Sahori , Komori Sachio , Taniyama Tomoyasu , Orikasa Yuki , Saito Tomohiro
Published: November 2024

Magnesium and calcium batteries offer promising energy storage solutions characterised by cost-effectiveness, safety, and high energy density. However, the scarcity of viable electrode and electrolyte materials vastly hinders their advancement. This study utilises solid-state metathetical reactions involving predominantly chalcogen- and pnictogen-based honeycomb layered oxides with alkaline-earth halides/nitrates to synthesise Mg- and Ca-based materials previously achievable only under high-temperature/high-pressure conditions, as well as new metastable materials with unique crystal versatility. Particularly, we employ metathetical reactions involving Li4MgTeO6, Na2Mg2TeO6, and Na4MgTeO6 with MgCl/Mg(NO3)2 or Ca(NO3)2 at temperatures not exceeding 773 K to produce Mg3TeO6 polymorphs, ilmenite-type CaMg2TeO6 (Mg2CaTeO6), and double perovskite Ca2MgTeO6. Thus, we demonstrate that these materials, conventionally requiring gigascale pressures and high temperatures (>1273 K) for their proper synthesis, are now readily accessible at ambient pressure and considerably lower temperatures. Meanwhile, despite sub-optimal pellet densities, the synthesised ilmenite-type Mg3TeO6 and double perovskite Ca2MTeO6 (M=Mg,Ca,Zn) materials exhibit remarkable bulk ionic conductivity at room temperature, marking them as promising compositional spaces for exploring novel Mg2+ and Ca2+ conductors. Furthermore, this study extends the applicability of metathetical reactions to attain Mg- or Ca-based antimonates, bismuthates, ruthenates, tungstates, titanates, phosphates, and silicates, thus opening avenues to novel multifunctional nanomaterial platforms with utility in energy storage and beyond.
A model of the earthquake cycle along the Gofar oceanic transform faults
Authors: Wei Meng (Matt) , He Lingchao , Smith-Konter Bridget
Published: November 2024

The Gofar oceanic transform fault at the East Pacific Rise has one of the best seismic cycles recorded by modern instruments. The timing, location, and magnitude of major earthquakes (Mw>5.5) have been well constrained by data from global seismic networks for the past 30 years. The earthquake interval is short, about 3-5 years. Several segments have already experienced 5 cycles since 1995, when the seismic network was good enough for surface wave relocation. Two ocean bottom seismometer deployments (2008-2009, 2021-2023) also provide constraints on the seismic properties on the fault. This makes Gofar an ideal place to study earthquake cycles. Here, we developed a model for the seismic cycle along the Gofar transform fault using a semi-analytical approach for rapidly calculating 3D time-dependent deformation and stress caused by screw dislocations embedded within an elastic layer overlying a Maxwell viscoelastic half-space. The 160-km long fault is divided into three major segments with six asperities. Our model simulates the earthquake pattern on this fault for the past 30 years. Most of the time, each asperity ruptured as a large earthquake every 3-5 years. Most segments have a nearly constant Coulomb stress threshold of 2-3 MPa, providing optimal conditions for the forecasting of future earthquakes along Gofar. For three cases that deviated from this simple regular pattern, a large earthquake occurred with a centroid location between two asperities. This is likely due to concurrent rupture that involved both asperities. We also modeled surface deformation with different elastic layer thicknesses and mantle viscosities. Even though most deformation is in the horizontal direction, the difference in both horizontal and vertical directions between models can be as large as a few centimeters per year. Several seafloor geodesy methods can be used to differentiate between models, and seafloor pressure might be the most appropriate one at this remote location.
Kaluza-Klein FRW Renyi Holographic Dark Energy model in Scalar-Tensor Theory of Gravitation
Authors: Sobhanbabu Y. , Santhi M. Vijaya , Rao A. Srinivasa , Kumar M. Praveen
Published: November 2024

This work examines the dark energy phenomenon by studying the Renyi Holographic Dark Energy (RHDE) and pressure-less Dark Matter (DM) within the frame-work of Saez-Ballester (SB) scalar-tensor theory of gravitation(Phys. Lett. A113, 467:1986). To achieve a solution, we consider the viable deceleration parameter (DP), which contributes to the average scale factor a=e(1/γ)[ √ (2γt+c1)], where γ, and c1 are respectively arbitrary, and integration constants. We have derived the field equations of SB scalar-tensor theory of gravity with the help of Kaluza-Klein FRW Universe. We have investigated cosmological parameters namely, DP (q), energy densities (ρM) and (ρR) of DM and RHDE, scalar field (ϕ), and equation of state parameter (ωR). The physical debate of these cosmological parameters are investigated through graphical presentation. Moreover, the stability of the model are studied through squared sound speed (vs2) and the well-known cosmological plane ωR - ω'R and all energy conditions and also, density parameters are analyzed through graphical representation for our model.
Five-Dimensional Strange Quark Bianchi Type-I Cosmological Model in The Framework of Saez Ballester Theory of Gravity
Authors: Netnaskar Mahesh , Pawar Kalpana , Dabre Abhishek
Published: November 2024

In this paper, we have constructed a five-dimensional Bianchi type I cosmological model with strange quark matter in the context of Saez-Ballester theory of gravity. We have discussed a five-dimensional cosmological model by using the special rule of variation for the Hubble parameter in the shape of H = Da-1 and the equation of state for strange quark matter. Two different models for n ≠ 0 and n = 0  have been discussed. Also, the accelerated expansion of the Universe has been discussed by using various physical parameters and its graphical representation.
A Study of Time Evolution of Some Cosmological Parameters in The Framework of an Anisotropic Kaluza-Klein Metric Using an Empirical Exponential Scale Factor
Authors: Roy Sudipto
Published: November 2024

The present study attempts to determine the time dependence of some cosmological parameters in flat space (i.e., a space of zero spatial curvature), in the framework of an anisotropic Kaluza-Klein metric. The field equations for this work have been derived from the metric by assuming a power-law relation between the normal scale factor and the scale factor corresponding to the extra (i.e., the fifth) dimension. An empirical scale factor, having the expression of a = B exp(αtβ), has been used here in order to derive the expressions for some cosmological parameters as functions of time. The reason for choosing this scale factor is that it generates an expression for the deceleration parameter which undergoes a change of sign, as time goes on, from positive to negative, indicating a transition of the universe from an initial state of decelerated expansion to that of an accelerated expansion (which is its present state), as has been inferred from astrophysical observations. We have graphically depicted the evolution of some cosmological parameters with respect to what one may call the relative time, expressed as t/t0, where t0 is the present age of the universe. The present study finds the dynamical cosmological constant (Λ) to be negative, and it becomes less negative with time, changing at a gradually decreasing rate. The dependence of pressure of the all-pervading cosmic fluid upon density, corresponding to the fifth dimension, has been described in terms of a skewness parameter (δ) which comes out to be decreasing with time. The anisotropy factor has been calculated in this study, whose numerical value has been found to be decreasing with time, indicating a journey of the universe towards phases of gradually smaller anisotropy.
Positively Charged Microparticle in Plasma with High-Energy Electron Beam
Authors: Bizyukov Aleksander A. , Chibisov Dmitry V. , Chibisov Oleksandr D. , Zhernovnykova Oksana A. , Borysenko Kostyantyn V. , Bobyliev Dmytro Ye. , Shtonda Oksana H.
Published: November 2024

The processes of recharging, heating and evaporation of a positively charged microparticle (MP) introduced into the plasma with an injected high-energy electron beam are considered. It is assumed that the MP is charged outside the plasma and then introduced into the plasma by an accelerating field, where plasma and beam electrons hitting the MP heat and evaporate it. In addition to introducing the MP into the plasma, the positive MP charge provides an additional source of energy needed to heat and evaporate it. Using the OML theory, the system of current and energy balance equations was numerically solved and the conditions, under which the MP is heated to the boiling point of its substance, resulting in its intense evaporation, were determined. The influence of the energy of the electron beam on the process of MP recharging, as well as on the rate of its heating and evaporation, has been studied. An estimate of the particle entry velocity into the plasma has been made; the distances at which its recharging, heating to the boiling point and complete evaporation occur are determined. The work is carried out in order to creating plasma of a given elemental composition.
Preparation of Calcium Titanate Perovskite Compound, Optical and Structural Properties
Authors: Davranov Khujamkul T. , Normuradov Muradulla T. , Davlatov Muzaffar A. , Dovranov Kuvondik T. , Toshev T.U. , Kurbonov N.A.
Published: November 2024

In this work, we have successfully fabricated a calcium titanate perovskite compound. The resulting CaTiO3 compound was studied by preparing samples by compacting it in a powder state and using a Pousson device. The distance between the planes dhkl, Miller indices (hkl), degree of crystallinity and amorphism, structure and lattice parameters of the calcium titanate perovskite compound were determined using an X-ray diffractometer. Also, according to the results of FT-IR analysis, the formation of CaTiO3 perovskite is confirmed as a result of the study of molecular vibrations. The main broad peaks are observed in the range of 680÷400 cm-1, the absorption band at the wave number of 543,93 cm-1 corresponds to the specific stretching vibrations of Ti-O bonds and indicates the formation of the CaTiO3 perovskite type structure implies. Based on the results of these measurements, it will be possible to use semiconductor compounds in the future to create nanofilms by magnetron sputtering.
Performance Enhancement via Numerical Modeling and Optimization of FASnI3 Perovskite Solar Cell
Authors: Kanouni Lahcene , Saidi Lamir , Yousfi Abderrahim , Saidani Okba
Published: November 2024

Perovskite-based solar cells are currently attracting growing interest from researchers and industry alike, thanks to the advantages of this type of solar cell, particularly in terms of manufacturing simplicity and the promising power conversion efficiency, which has recently reached remarkable levels. This paper focuses on numerical simulation to improve the performance of the Formamidinium Tin Iodide (FASnI3) solar cell configuration by using Cerium Dioxide (CeO2) as ETL and Poly (Triaryl Amine) (PTAA) as HTL. The simulation has been carried out using Solar Cell Capacitance Simulator (SCAPS-1D) tool under the spectrum of AM 1.5 G. An intensive modeling has been realized to improve the output parameters of the suggested configuration based on FASnI3 as absorber. The proposed structure (ITO/CeO2/FaSnI3/PTAA/Au) achieves a tremendous power conversion efficiency (PCE) of 39.24%, an open-circuit voltage (VOC) of 1.31 V, a short-circuit current density (JSC) of 33.7 mA/cm2 and a fill factor (FF) of 90.12%.