bluuebunny/crossref_metadata_2025 huggingface dataset:
Enhanced photocatalytic performance by ZnO/Graphene heterojunction grown on Ni foam for methylene blue removal
Authors: Melia Lucas F. , Gallegos María V. , Juncal Luciana , Meyer Marcos , Ibañez Francisco J. , Damonte Laura C.
Published: May 2024

ZnO nanostructures were obtained by electrodeposition on Ni foam, where graphene was previously grown by chemical vapor deposition (CVD). The resulting heterostructures were characterized by X-ray diffraction and SEM microscopy, and their potential application as a catalyst for the photodegradation of methylene blue (MB) was evaluated. The incorporation of graphene to the Ni substrate increases the amount of deposited ZnO at low potentials in comparison to bare Ni. SEM images show homogeneous growth of ZnO on Ni/G but not on bare Ni foam. A percent removal of almost 60% of MB was achieved by the Ni/G/ZnO sample, which represents a double quantity than the other catalysts proved in this work. The synergistic effects of ZnO-graphene heterojunctions play a key role in achieving better adsorption and photocatalytic performance. The results demonstrate the ease of depositing ZnO on seedless graphene by electrodeposition. The use of the film as a photocatalyst delivers interesting and competitive removal percentages for a potentially scalable degradation process enhanced by a non-toxic compound such as graphene.
Developing millennial tree-ring chronology for Turku (Åbo) and comparing palaeoclimaticsignals inferred from archaeological, subfossil and living Pinus sylvestris datain Southwest Finland
Authors:   Natural Resources Institute Finland, Helama Samuli , Ratilainen Tanja ,   Turku Museum Center, Turku, Finland, Ruohonen Juha ,   Department of Archaeology, University of Turku, Turku, Finland, Taavitsainen Jussi-Pekka ,   Department of Archaeology, University of Turku, Turku, Finland
Published: May 2024

Archaeological and living tree data were used to construct tree-ring chronologies over the medieval (AD 1183–1430) and recent (AD 1812–2020) periods in Turku, which is historically an important population centre in Southwest Finland and the country. Comparisons between the two tree-ring assemblages, and between the previously built chronologies from the Åland (historical timber) and Tavastia (lacustrine subfossils and living trees) sites, provided ways of understanding the growth patterns and their linkages to climatic, environmental, and edaphic factors. Tree growth in and around Turku was affected by warm-season precipitation and winter temperature. Similar relationships were previously evident also in the Åland tree rings, whereas the data from a wetter Tavastia site did not exhibit similar precipitation signal. The site conditions influence also the correlations which are higher between Turku and Åland than between Turku and Tavastia chronologies. Construction of long continuous chronology is impaired by human-related activities, the Great Fire of Turku in 1827 and logging, which have diminished the availability of dead and living-tree materials, respectively. These conditions lead to hardships of filling the gap between the medieval and recent periods and updating the archaeological datasets with compatible living-tree data, which are both demonstrated by our results.
Opinions regarding equine veterinarian attire and attributes: results of a horse owner survey
Authors: O’Neil Erin K. , Fogle Callie A. , Sheats M. Katie , Love Kim
Published: May 2024

OBJECTIVE

To investigate potential equine clients’ perceptions of equine veterinarians based on attire.

SAMPLE

763 horse owners/lessees.

METHODS

Participants were invited to complete a survey shared mainly via equestrian social media pages between August and October 2022.1–3 Survey participants were shown pictures of a male veterinarian and a female veterinarian in 7 outfits ranging from casual to business attire and were asked to score the veterinarian on 7 traits: easygoing attitude, friendliness, compassion, trustworthiness, professionalism, competence, and cost of services. The survey asked which of the traits were most valued in an equine veterinarian, as well as whether various aspects of appearance including tattoos, piercings, and hair dyed a nonorganic color were acceptable for equine veterinarians.

RESULTS

Of the 2,655 individuals who opened the survey, 763 responses were included. Respondents were predominantly female (743/763 [97.4%]) from rural areas (493/763 [64.6%]). Only 37.1% (283/763) of respondents agreed that what a veterinarian wears influences their confidence in them. The highest-ranked traits in an equine veterinarian were knowledge/competency (mean ± SD, 1.46 ± 0.98), followed by trustworthiness (2.34 ± 1.08) and compassion (3.50 ± 1.20), with coveralls and scrubs being the preferred attire clients associated with these attributes (with the exception of compassion, for which polo shirt/jeans was the preferred attire). T-shirt/jeans was consistently ranked lowest by respondents in association with these attributes, except in the area of compassion, where polo shirt/black pants was ranked lowest.

CLINICAL RELEVANCE

Our findings suggested the attire and appearance of equine veterinarians can impact client perceptions, with veterinarians wearing scrubs and coveralls associated with higher competency and trustworthiness.
Neck pain but not neurologic disease occurs more frequently in horses with transposition of the ventral lamina from C6 to C7
Authors: Henderson C. S. , Story M. R. , Nout-Lomas Y. S.
Published: May 2024

OBJECTIVE

To determine reasons for horses to have neck radiographs performed, the incidence of transposition of the ventral lamina of C6 onto C7 (TC67), and the final diagnoses for all horses. Our hypotheses were to find a similar incidence of TC67, as has been previously reported, and an increased incidence of neck pain and dysfunction in horses with TC67.

ANIMALS

135 horses.

METHODS

Retrospective observational study. Medical records of 135 horses with cervical vertebral column radiographs between 2020 and 2022 were assessed. Patient signalment, reasons for radiographs, radiographic findings, and diagnoses were analyzed. The Shapiro-Wilk test was used for normality determination. Nonparametric tests were used to analyze data.

RESULTS

20% of horses were diagnosed with TC67. Significantly more horses with TC67 were warmblood horses (63%); TC67 was found in 28% of warmblood horses. There was no significant difference in signalment or whether horses were in work between the groups, although significantly more horses with TC67 performed in English disciplines (71%). No differences in reasons for examination or final diagnoses of neurologic disease, cervical orthopedic disease, or lameness were present between groups. In horses with neck pain, TC67 was significantly more common (31%) than in horses without (18%).

CLINICAL RELEVANCE

Our results indicated that TC67 occurs more in warmblood horses. In the small group of horses with neck pain reported, TC67 was more commonly seen than in those without. Given the complexity of this region and the paucity of studies exploring neck pain and neck biomechanics, we suggest the need for standardized prospective studies.
An imminent need for veterinary medical educators: are we facing a crisis?
Authors: Lairmore Michael D. , Byers Christopher , Eaton Sarah , Sykes Jane E. , Marks Steven , Meurs Kathryn M.
Published: May 2024

A potential emerging shortage of veterinary medical educators requires the profession to acknowledge and understand the factors leading to this outcome. Expanding class sizes within existing schools and colleges of veterinary medicine and the expected expansion of new programs seeking AVMA–Council of Education accreditation have heightened the need to address an impending shortage of veterinary medical educators. A solution-oriented approach that accurately projects educator workforce needs and identifies factors contributing to the shortage requires effective collaboration across various partnering organizations to develop innovations in pedagogy and educational delivery methods. The veterinary profession must also identify and reduce disincentives that deter students and post-DVM trainees from pursuing careers in education. Finally, efforts at the state and federal level are critical to advocate for financial support and incentives for expansion of the veterinary medical educator workforce. Through these collective approaches and partnerships, the veterinary medical educator workforce can be strengthened to overcome obstacles for educating the next generation of veterinarians to meet societal needs.
George F. Kennan and Hungary: A Cold War Visionary and a “remarkable people with rich civilizational qualities”
Authors: Peterecz Zoltán
Published: May 2024

Although George F. Kennan hardly needs an introduction, this article revisits his career. He was the “father” of the containment doctrine, even if he did not accept that title because he believed the successive American governments debauched his murky idea about how to oppose the Soviet Union. Many things are known about Kennan—both his professional and private life—but some small additions are still missing. This essay investigates his relations with, and ideas about Hungary, which so far have earned passing mentions at best. This is not surprising because Hungary rarely became a central issue during the Cold War—with 1956 as an obvious exception—so scholars focused mainly on Kennan, the Russian expert and cold warrior. Still, occasionally Hungary received Kennan’s attention throughout his long career: he made observations and took notes on Hungary, Hungarian foreign policy, and Hungarians as early as the eve of World War II, and he continued to do so as late as Hungary’s joining NATO at the end of the 1990s. These were sometimes indirect assumptions, long-distance observations, or the results of on-site experience. It is interesting to see how the famously realist Kennan approached Hungary and the Hungarian questions throughout more than half a century. His relationship with either Hungary or Hungarians, however, has never been within the scope of an academic study, so this article serves as the basis for possible future endeavors into that direction. By introducing Kennan’s episodic views and impressions regarding Hungary in the larger part of the twentieth century, the article fills a small but important gap in the growing field of the history of American–Hungarian relations and adds to the portrait of Kennan. (ZP)
New Fixed Point Theorems on Complete b-Metric Space by Using Rus Contraction Mapping
Authors: Bhattacharjee Krishna , Laha Amit Kumar , Das Rakhal
Published: May 2024

This paper investigates a fixed point over a complete b-metric space for a family of contractive mappings. In this paper, we have discovered new results in the direction of the complete b-metric space by using Rus contraction. Furthermore, we establish a common fixed point theorem between two mappings over complete b-metric space. We also provide some non-trivial examples to display the authenticity of our established results.
A Perspective on Male Contraceptive Therapeutics of Hydro-ethanol Extract of Seeds of Luffa acutangula (L.) Roxb. in Human and Albino Rat: An In-vitro Meta-Analysis Study
Authors: Mondal Tanusree , Das Puja , Pal Dibya , Lohar Pampa , Hazra Sukriti , Ghosh Debidas
Published: May 2024

Traditionally Luffa acutangula (L.) Roxb. has been utilized as an herbal contraceptive. This in-vitro study has been performed to search out the male contraceptive efficacy of hydro-ethanol (60:40) extract of Luffa acutangula (LAHEE) seeds in a dose-specific manner (1, 2, and 4 mg/ml of in-vitro media). The percentages of motile, viable, hypo-osmotic swelled (HOS), and acrosomal intact of human and rat sperms were declined significantly (p<0.05) at the above-mentioned doses of LAHEE-exposed groups against the placebo group. The inhibitory concentration 50% value (IC50) of LAHEE was 2.5 mg/ml in human and 1.2 mg/ml in rat spermatozoa immobilization. The ∆5,3β and 17β hydroxysteroid dehydrogenase (HSD) activities of rat’s testicular tissues were inhibited significantly at p<0.05 in LAHEE-treated groups than the placebo group. Activities of superoxide dismutase (SOD) and catalase were significantly inhibited (p<0.05) along with the significant increment (p<0.05) in the quantity of thiobarbituric acid reactive substances (TBARS) in rat’s testes and epididymis, sperm pellets of humans and rats in LAHEE-treated groups against the placebo group without any significant difference (p>0.05) in above said sensors in the liver and cardiac tissues of rats. The non-toxic nature of LAHEE was indicated by no significant alterations (p>0.05) in the activities of aspartate aminotransferase (AST) and alanine aminotransferase (ALT) after LAHEE exposure in said tissues of rats. The LC-MS study of LAHEE identified the presence of oleic acid, dihydroquercetin, luteolin-7-glucoside, formononetin, luteolin 8-C-pentoside-6-C-hexoside, pterosin B, boldine and berberine. These findings interpreted that the LAHEE possesses spermiological inhibitory and hypo-testicular activities, which indicate a promising possibility to develop a potent herbal male contraceptive agent from this plant extract.
Saberes digitales de biólogos, agrónomos y veterinarios
Authors: Casillas Alvarado Miguel Ángel , Ramírez Martinell Alberto
Published: May 2024

Lo que los egresados de los programas educativos del Área Biológico-Agropecuaria saben de TIC excede, en la dimensión disciplinaria, la literacidad digital de los estudiantes de los primeros semestres de una carrera universitaria dada y se relaciona cada vez más con los conocimientos, las estrategias, los juicios y las valoraciones propios del campo académico de adscripción. Los estudios que realizamos con los profesionales de biología, agronomía, sistemas agropecuarios y veterinaria muestran que los saberes digitales de las comunidades académicas del Área Biológico-Agropecuaria son altos, pero se observan diferencias significativas entre las disciplinas en la profundidad con que se usa el software especializado, el manejo de datos y paquetes estadísticos para su tratamiento, la colaboración y la ciudadanía digital.
La formación de intérpretes para sordos y sordociegos en Colombia
Authors: De Mejía Anne-Marie
Published: May 2024

Resumen
¿A quien le cuenta el narrador su historia?
Authors: Correa Restrepo Miralba , Orozco Hormaza Blanca Cecilia
Published: May 2024

Resumen
Análisis de las nuevas orientaciones de la enseñanza de la literatura en el bachillerato Francés
Authors: Lager Elisabeth
Published: May 2024

Resumen
Reception of A. Varlamov's Creativity in Chinese Literary Studies and Criticism
Authors: Niu Yueqiu
Published: May 2024

The subject of the research is the reception of A.N. Varlamov in Chinese literary criticism. The object of the study is critical articles, literary works devoted to the work of A. Varlamov, and an interview with the author. The novelty of the article is determined by the fact that the works of Chinese researchers are analyzed in order to characterize critical judgments about the work of a modern Russian author, taking into account national specifics. The article highlights the main aspects in the field of studying the work of A. N. Varlamov by Chinese criticism and literary criticism. It is determined that Chinese researchers pay attention to the consideration of religious themes in the writer's prose, and also analyze Varlamov's creative method, defining it as neo-release. The main conclusions of the study are the definition of aspects of the study of religious themes in Varlamov's novels, such as eschatology, the level of morality and religiosity in Russian society, the spiritual salvation and rebirth of man, sectarianism. According to critics, Varlamov's work shows sectarianism as a viral idea of the Russian people, poisoning the collective consciousness and historical memory. The creative method of A. Varlamov is assessed by critics as neo-releaseism, the features of which are marginal heroes, a combination of mysticism and realism, artistic time-space. Chinese literary scholars also note mythological prototypes and folklore elements that are important for Varlamov's works. The main contribution of the author to the study of the topic is that the points of view of Chinese literary scholars and critics are considered, which expand the reception of Varlamov's work in world art, complementing a single receptive field, organizing a dialogue of cultures.
The influence of M.A. Bulgakov’s novel “The Master and Margarita” to Yu Hua’s novel “Brothers”: carnivalization as a way of forming a novel narrative
Authors: Bao Lihong
Published: May 2024

The object of the study is the texts of two famous works of Russian and Chinese literature – novels by Bulgakov's "The Master and Margarita" and Yu Hua's "Brothers"; The subject of the study is the techniques of carnivalization that are found in novels and which, obviously, appeared in Yu Hua under the influence of Bulgakov, with whose work he was well acquainted. The scientific novelty of the study lies in the comparison of the works of Russian and Chinese writers, and the identification of another way of interaction between Russian and Chinese culture, which is being carried out in Russian literary studies for the first time. The research was carried out on the basis of historical-literary, biographical, comparative and hermeneutical methods, using general scientific methods of analysis and synthesis, observation, description, etc. As a result of the study, it was noted that the aesthetics of carnivalism is clearly manifested in the works of both writers. The novel narrative is organized according to the laws of carnival action, it contains carnival chaos, grotesque, images of jesters, madmen and descriptions of crazy actions, a carnival attitude towards freedom and death, ridicule of authorities, mockery of order, disappointment in high ideals, a combination of high and low, image crowds as a single figure and other features. It is concluded that Yu Hua absorbed the aesthetics of the carnival through Russian literature, including Bulgakov’s novel "The Master and Margarita". This aesthetics was close to him, which, like the Russian writer, contributed to the description of the new world that arose around the heroes of the novels after the revolutionary changes that had occurred.
The legal regulation of gambling phenomenon in Roman law
Authors:   Rīga Stradiņš University, Latvia, Apsītis Allars ,   Rīga Stradiņš University, Latvia, Joksts Osvalds , Dinsberga Jolanta ,   Rīga Stradiņš University, Latvia
Published: May 2024

The present article focuses on the results of the authors’ research conducted on primary sources of Roman law, with the aim to examine and evaluate the legal framework of the gambling phenomenon. This article discusses the historical and legal aspects of gambling regulation, relevant regulatory mechanisms, the attitude towards gambling organisers and supporters, penal policies against those who force others to play, certain exceptions from general principles governing the gambling regime, the status of individuals with particular legal standing—such as persons under paternal authority, slaves and clients engaged in a client–patron relationship, as well as the mechanisms for public oversight of the gambling regime. The authors have conducted the research and analysis of the information contained in the socalled Justinian’s codifications, also known as ‘Corpus Iuris Civilis’, specifically the ‘Codex Iustinianus’ (Code of Justinian, 534 AD) and ‘Digesta seu Pandectae’ (Digest or Pandects, 533 AD). The research employs the inductive, deductive and comparative methods. Keywords: gambling regulation; Roman law.
Decrease in the function of the people’s representative council of the republic of Indonesia in the policy of relocating the archipelago’s capital city
Authors:   Andalas University, Indonesia, Rahmad Aulia Fachri , Valentina Tengku Rika ,   Andalas University, Indonesia
Published: May 2024

Various problems will arise regarding the transfer of the national capital from Jakarta to Kalimantan Province after the passing of Law Number 3 of 2022 concerning the new national capital. The legislative function of the House of Representatives is very minimal regarding the formation of the New National Capital Law. This research analyses the minimal legislative function of the House of Representatives in the policy of relocating the new state capital. This research uses a qualitative approach method. The data-collection technique used in this research is based on a literature review. The results of this research show that the presidential executive body is more dominant in formulating policy rules for relocating the new capital city. The House of Representatives, as a legislative institution, has not yet optimally carried out its role in providing input and monitoring the policy regulations for relocating the archipelago’s capital city. The House of Representatives did not optimally carry out its supervisory function, especially in using the right of inquiry to review the negative impact of the policy on nature conservation. The House of Representatives has also not yet fully investigated the certainty of the projected revenue achievement of the development budget sources for the archipelago’s capital, the total budget of which reaches IDR 466 trillion. Keywords: capital of the Archipelago; check and balance; right to inquiry of the house of representatives.
Promoting the well-being of investigators, prosecutors and judges in Latvia
Authors:   RISEBA University of Applied Sciences, Latvia, Zakrizevska-Belogrudova Maija , Dobelniece Irina ,   RISEBA University of Applied Sciences, Latvia, Mihailovs Ivans Jānis ,   Rīga Stradiņš University, Latvia, Rusmani Argron ,   South East European University, North Macedonia
Published: May 2024

The international survey, which aimed to assess the well-being and mental health of legal professionals worldwide, found that more than a third of the lawyers surveyed believe that work has a negative impact on their mental state and well-being. In addition, the survey found that 29% of the respondents had experienced suicidal thoughts or actions at some point in their career, and 45% reported experiencing stress-related health problems (International Bar Association, 2021). The aim of this study is to theoretically describe and practically explore aspects of well-being and the factors influencing it, as well as the needs of investigators, prosecutors and judges and the possibilities of supervision in promoting well-being. Two questionnaires ‘Professional well-being’ and ‘Professional needs’ were developed. The survey was carried out among 354 respondents: judges, prosecutors and investigators. It was concluded that the mental health, workload, work–life balance, knowledge, development and socialisation needs of judges, prosecutors and investigators are influenced by the need for a supportive working environment and psychological support, which determine the possibilities for supervision. At the same time, there are statistically significant differences between the job satisfaction, mental health and work–life balance of investigators, prosecutors and judges. There are also statistically significant differences between judges’, prosecutors’ and investigators’ needs for support, knowledge and development. Keywords: investigators; judges; prosecutors; professional needs; well-being; work–life balance.
Legal and practical issues of special investigative techniques—control of means of communication performance and usage of the obtained information from criminal proceedings
Authors:   Rīga Stradiņš University, Latvia, Zanders Ansis , Klaviņa Gerda ,   Rīga Stradiņš University, Latvia
Published: May 2024

One of the most frequently used special investigative activities is the control of the means of communication. Hence, the current research was conducted with respect to this special investigative activity. The purpose of the present research is to identify legal and practical problems encountered when conducting the control of special investigation activities—the means of communication and the subsequent use of the information obtained during the criminal process, as well as determining the most important legal problems, defining them and finding the right legal solutions. The material and methods used during the preparation of this publication included an expert survey that was used to obtain all the necessary data for the research. The comparative and logical methods were used for the analysis and description of regulations, court decisions, scientific literature and expert opinions. Methods of interpretation of legal norms have also been used in this research. The specific nature of special investigative activities creates both legal and practical challenges, which can be overcome when conducting criminal proceedings so that the information obtained by the control of means of communication during the special investigative activities can be used as legal evidence during criminal proceedings. As a conclusion of the research, legal solutions to the identified legal problems regarding the issue researched upon are proposed. Keywords: criminal procedure; evidence; special investigative activities.
Control strategy and capacity optimization of energy-storage-based railway power conditioner
Authors: Jiang Shan , Shu Na , Liang Tao , Cao Xiaoman , Chen Shuaishuai , Yang Peijin , Zhao Yajie , Sun Hu
Published: May 2024

Electrified railroad has the characteristics of high safety factors, high comfort, large transportation capacity, and less time-consuming, which is an effective means to solve traffic congestion. However, with the rapid development of China’s electrified railroad, harmonic, negative sequence and other power quality problems have also been widely concerned, while more and more regenerative braking energy in the traction power supply system can not be effectively utilized. The input of railroad power regulators makes the power quality problem be solved effectively, this paper studies the control strategy of traditional railroad power regulators. Combined with the actual working conditions of railroad vehicles, the simulation model of traction network, vehicles, and railroad power conditioner is established, and the load characteristics of traction substation are simulated by this model. Secondly, for a domestic substation field collection data processing to obtain the actual train operation load changes, to the battery energy storage device life within the maximum economic returns as the optimization goal, for the peak load reduction judgment threshold and the capacity of the battery energy storage device through the genetic algorithm to process the data of previous years to optimize the design.
Uncovering Atomic-scale Dynamics in Solid Catalysts via X-ray-based Methods
Authors: Abdala Paula , Müller Christoph
Published: May 2024

Deciphering the structural intricacies of catalysts is essential to advance their atomic-scale engineering. Solid catalysts are complex, with structural features spanning multiple length scales and involving dynamics, which possess challenges in understanding structure-performance relationships. However, advanced operando X-ray characterization techniques, including X-ray absorption spectroscopy (XAS), diffraction (XRD), and pair distribution function analysis (PDF) allow elucidation of structural features under working conditions, discovering transitions from supported nanocrystals to dispersed sites, from solid solutions to supported nanoparticles, or structural changes at the local level. In this mini-review, we discuss case studies exploring the structure of catalysts over different lengths and time scales under different applications, such as CO2 hydrogenation to methanol or the dry reforming of methane, using a combination of operando XAS, XRD and PDF.
X-ray Spectroscopy at the SuperXAS and Debye Beamlines: from in situ to Operando
Authors: Bugaev Aram , Clark Adam H. , Genz Nina S. , Safonova Olga V. , Smolentsev Grigory , Nachtegaal Maarten
Published: May 2024

Understanding structure–performance relationships are essential for the rational design of new functional materials or in the further optimization of (catalytic) processes. Due to the high penetration depth of the radiation used, synchrotron-based hard X-ray techniques (with energy > 4.5 keV) allow the study of materials under realistic conditions (in situ and operando) and thus play an important role in uncovering structure-performance relationships. X-ray absorption and emission spectroscopies (XAS and XES) give insight into the electronic structure (oxidation state, spin state) and local geometric structure (type and number of nearest neighbor atoms, bond distances, disorder) up to ~5 Å around the element of interest. In this mini review, we will give an overview of the in situ and operando capabilities of the SuperXAS beamline, a facility for hard X-ray spectroscopy, through recent examples from studies of heterogeneous catalysts, electrochemical systems, and photoinduced processes. The possibilities for time-resolved experiments in the time range from ns to seconds and longer are illustrated. The extension of X-ray spectroscopy at the new Debye beamline combined with operando X-ray scattering and diffraction and further developments of time-resolved XES at SuperXAS will open new possibilities after the Swiss Light Source upgrade mid 2025.
Operando X-ray Absorption Spectroscopy as a Powerful Tool for Uncovering Property-Activity Relationships for Oxygen Evolution Transition Metal Oxide Catalysts
Authors: Fabbri Emiliana , Schmidt Thomas J.
Published: May 2024

The development of a sustainable and environmentally friendly energy economy encompasses efficient hydrogen production from renewable energy via electrolysis. In this context, great efforts have recently been dedicated to the development of more efficient and cost-effective electrocatalysts. Understanding the mechanism of the oxygen evolution reaction (OER) on transition metal oxide catalysts is of great interest, but the reaction and system complexity render the characterization of active sites and the understanding of reaction mechanisms challenging. Time resolved Quick X-ray Absorption Spectroscopy (XAS) can provide dynamic snapshots of the electronic and local structure of nanocatalysts, revealing the ‘real active phase’ of the catalyst, which can substantially differ from the as-prepared catalyst powder or the catalyst in form of an electrode under non-operating conditions. In this contribution, several examples will be presented showing how operando XAS can reveal catalyst-support interactions, changes in the reaction mechanism, and dynamic reversible/irreversible changes in the electronic and local structure of OER catalysts.
Operando Neutron Imaging
Authors: Nikolic Marin , Cesarini Alessia , Saadun Ali J. , Carrein Ruiz Eric R. , Borgschulte Andreas , Trtik Pavel , Boillat Pierre
Published: May 2024

In the past, neutron imaging has been the little brother of advanced neutron spectroscopy techniques due to its apparent simplicity. However, this simplicity allows the studying of complex chemical and electrochemical processes and related devices even under harsh reaction conditions such as high pressure, high temperature, corrosive and/or air sensitive environments. We review a number of highly relevant case studies as archetypal examples of modern energy technology; that is heat storage, power-to-X, batteries, fuel cells, and catalysis. The promising results trigger the further development of neutron imaging towards a chemical imaging method.
Applicability of Anomaly Detection Knowledge from Computer Science and Mathematics Publications to Oil and Gas Research
Authors: Chigarev B.N.
Published: May 2024

Anomaly detection in equipment processes is crucial for the oil and gas sector. Algorithms for detecting anomalies in measured data are best understood in Computer Science and Mathematics. Therefore, a possible transfer of knowledge from the latter area to the former can have a profound impact. This paper explores the potential for the knowledge transfer by analyzing bibliometric data of Computer Science and Mathematics papers published in MDPI journals, as well as publications available on SPE search platform. The research shows that the main algorithms extensively studied in MDPI publications and found in SPE publications, which address the anomaly detection problem, include Random Forest, Support Vector Machine, Long-term Memory Method and Recurrent Neural Network. The main advantages and disadvantages of these methods are briefly described. This paper provides examples of classical and highly cited publications that describe the work of these algorithms along with examples of articles that illustrate their application in the oil and gas industry. The sections of SPE disciplines with the largest number of publications using the algorithms that are frequently used for anomaly detection are presented.
التأصيل الإسلامي لنظرية العلاقات الإنسانية وتطبيقاتها التربوية
Authors: العسيري علي حسن
Published: May 2024

هدف البحث الحالي إلى تأصيل نظرية العلاقات الإنسانية ومبادئها وفقاً لارتباطها بالقرآن الكريم والسنة النبوية ومقاصد الشريعة الإسلامية، والتعرف على أبرز تطبيقاتها في الميدان التربوي، واستخدم الباحث المنهج الاستقرائي، والمنهج الاستنباطي، وتوصل البحث إلى نتائج من أبرزها: أن القرآن الكريم والسنة النبوية الشريفة تُعد معيناً لا ينضب، وخير مرجع لقيم ومبادئ الإدارة الحديثة بمختلف مجالاتها، وأن تراث الامة الإسلامية حافل بالشواهد التي تدلّ على عظمة الدين الإسلامي وتنظيمه للحياة البشرية في تعاملاتها وخططها وأهدافها وغاياتها، وأن الفكر الإداري الإسلامي كان له الفضل والسبق في ترسيخ مبادئ العلاقات الإنسانية، وترسيخ أبعاد ومضامين النظريات الإدارية الحديثة بمختلف اتجاهاتها وأهدافها، وأن مبادئ نظرية العلاقات الإنسانية الحديثة انطلقت من نتائج العلوم السلوكية ومن تأملات وأفكار الفلاسفة أو نظريات غير ثابته، بينما مبادئ العلاقات الإنسانية في الفكر الإسلامي مستمدة من القرآن الكريم والسنة النبوية المطهّرة والتي تُعد أصلاً ثابتاً وصالح لكل زمان ومكان، وخرج البحث بعدد من التوصيات من أبرزها: زيادة العناية والاهتمام بالقرآن الكريم والسنة النبوية المطهّرة وما تحويه من أصول شرعية ثابتة تعتبر منهج حياة متكاملاً وصالحاً لكل زمان وكان، والعناية بتأصيل النظريات الإدارية الحديثة في ضوء أسس ومبادئ الفكر الإسلامي، و المحافظة على الإرث الإسلامي والاعتزاز والافتخار به، و الاعتزاز بإسهامات علماء المسلمين في تأسيس العلوم بمختلف أنواعها والنهوض بها قديماً وحديثاً.
Binuclear gold phosphine complexes as single-source precursors for CO oxidation catalysts: insights into the formation of surface-stabilized Au particles
Authors: Rang Fabian , Delrieux Tim , Maurer Florian , Flecken Franziska , Grunwaldt Jan-Dierk , Hanf Schirin
Published: May 2024

We herein present a systematic study on the application of atomically precise binuclear gold phosphine complexes as precursors for supported Au catalysts tested in CO oxidation. Utilizing a plethora of complementary analytical techniques, such as powder X-ray diffraction, transmission electron microscopy imaging, in situ and operando X-ray absorption spectroscopy as well as diffuse reflectance infrared Fourier transformed spectroscopy, we found that minor changes in the ligand arrangement of molecular Au phosphine complexes as precursors result in significantly different activation behaviors of alumina supported Au catalysts under reaction conditions. Specifically, the use of two POP-based ligands within the molecular Au precursor [Au2(µ2-POP)2]OTf2 (POP = tetraphenylphosphoxane) creates a P-containing binding pocket, which not only enhances the thermal stability of the Au particles but also affects their electronic properties. Conversely, employing a supported dppe-based gold complex [Au2(µ2-dppe)2]OTf2 (dppe = diphenylphosphinoethane) decreases the CO oxidation activity, due to the blockage of active sites. This work provides detailed insights into the ligand decomposition of molecular gold phosphine complexes under reaction conditions and paves the way for the targeted use of molecular transition metal complexes as precursors in synthesizing surface-stabilized nanoparticles.
Will it blend? Exploring the viscoelastic characteristics of P3HT-polyborosiloxane blends towards flexible electronic materials
Authors: Gilhooly-Finn Peter A. , Westwood Megan M. , Schroeder Bob C.
Published: May 2024

Organic semiconducting polymers blended into elastomeric materials has shown to be a successful method for improving flexibility designed for wearable electronics. One such elastomer that has not been readily explored in combination with an organic semiconducting polymer is polyborosiloxane (PBS). PBS shows remarkable viscoelastomeric properties, due to the borate ester groups that crosslink the siloxane backbones, demonstrating a dynamic covalent crosslinking mechanism. The detailed study presented here showcases the properties of two different PBS elastomers and the effect of blending a well-known organic semiconducting polymer, poly(3-hexylthiophene) (P3HT). Compatibility studies find that one elastomer blends more favourably than the other due to differences in the crosslinking density leading to the formation of P3HT crystallites within the blend. The viscoelastic properties of the PBS:P3HT blends are studied through detailed rheological experiments and the relaxation processes are discussed.
Leveraging Deep Chemical Language Processing for Co-crystal Prediction
Authors: Birolo Rebecca , Özçelik Rıza , Aramini Andrea , Gobetto Roberto , Chierotti Michele Remo , Grisoni Francesca
Published: May 2024

Most hits identified in the drug discovery pipelines and even 40% of marketed drugs suffer from suboptimal pharmacokinetic profiles. Co- crystallization, wherein a drug (or drug candidate) and another organic molecule form a multi- component crystal, can optimize physicochemical properties of those molecules without hampering their pharmacological activity. However, finding promising co-crystal pairs is resource-intensive due to the vast search space. Here we propose DeepCrystal, a deep learning model based on chemical language to predict co-crystallization. We rigorously validate DeepCrystal and find that it achieves 78% accuracy on realistic settings and displays superior performance to existing models. Leveraging the chemical language to represent molecules, DeepCrystal can estimate uncertainty in its predictions. We exploit this capability in a challenging prospective study and discover two novel co-crystal of diflunisal, an antiinflammatory drug. This prospective study exemplifies a successful application of deep learning to accelerate the co-crystallization process in the lab, highlighting its potential, in both academic and industrial settings.
Tetraperoxotitanates for High Capacity Direct Air Capture of Carbon Dioxide
Authors: Bach Karlie , Garrido Ribo Eduard , Hirschi Jacob , Mao Zhiwei , Zakharov Lev , Zuehlsdorff Tim , Nyman May
Published: May 2024

Materials chemists play a strategic role towards meeting ambitious global climate goals of net-zero CO2 emissions by 2050. It is important to develop a suite of direct air capture (DAC) materials that can effectively remove legacy CO2, bringing the atmospheric concentration closer to pre-industrial levels, and halt the current steady rise. A diversity of DAC materials will improve flexible functionality in varying ambient conditions, and bring forth a better understanding of CO2 chemisorption and physisorption mechanisms. In our current contribution to this mission, we have developed a general synthesis for A4Ti(O2)4 (A=Li, Na, K), alkali tetraperoxotitanates, and present their crystal structures and DAC reactivity in both ambient year-long experiments and enriched CO2 environment studies. Characterization of DAC products by CHN analysis, thermogravimetry-mass spectrometry (TGA MS), Fourier transform infrared spectrometry (FTIR), Raman spectrometry, powder X-ray diffraction (PXRD), and scanning electron microscopy-energy dispersive X-ray spectrometry (SEM EDX) all point toward a mechanism of Ti-centered CO2 chemisorption for the K-analogue, and hydrolysis/autodegradation for the Li and Na analogues. K4Ti(O2)4 exhibits remarkable DAC capacity of 8.73 mmol CO2/gram sorbent, reaching nearly maximum capacity in 20 days. This translates to nearly three CO2 molecules chemisorbed, per Ti-center. Na4Ti(O2)4 and Li4Ti(O2)4 are much slower, but also with high capacity (respectively 6.74 and 8.33 mmol CO2/gram sorbent). Characterization of the Na4Ti(O2)4 DAC products via SEM EDX elemental mapping and imaging shows phase separation of Na-rich and Ti-rich phases in a core-shell morphology, where the Ti-rich core is largely passivated by the Na-rich coating. This both sheds light on its poorer and delayed performance, and also points toward the superior performance of TiIV in CO2 chemisorption by DAC, in comparison to its alkali counter cations.
Adsorption of 5-fluorouracil, an anticancer drug, in faujasite-type zeolites: Understanding storage and release with density functional theory calculations
Authors: Fischer Michael
Published: May 2024

Zeolites have been proposed as carrier materials for the encapsulation and controlled release of the anticancer drug 5-fluorouracil (5-FU). Besides, they could also find use in the adsorption-based removal of 5-FU from water, for example in the treatment of hospital effluents. In the present work, dispersion-corrected density functional theory (DFT) calculations and DFT-based ab initio molecular dynamics (AIMD) simulations are employed to study the interaction of 5-FU with faujasite-type zeolites having different Si/Al ratios. Comparing distinct local arrangements of Al atoms and charge-balancing protons, it is evaluated to what extent “multi-site” interactions, i.e., interactions of 5-FU with more than one proton, affect the adsorption energy. While the most pronounced increase in interaction strength occurs when moving from an all-silica zeolite to a protonic zeolite having a single proton in one twelve-membered ring, a significant additional stabilisation arises if a second framework proton is present in the same ring. Typically, several hydrogen bonds are formed between 5-FU and protonic zeolite frameworks, with 5-FU simultaneously acting as donor and acceptor. AIMD simulations confirm the stability of these hydrogen bonds at room temperature in the absence of water. Additionally, infrared spectra are predicted for selected low-energy configurations in order to facilitate an experimental identification of different bonding environments. AIMD simulations probing the competitive adsorption of 5-FU and water show that the high affinity of water to the framework protons causes a breaking of hydrogen bonds, framework deprotonation, and a displacement of 5-FU from its initial position. Exposure of dehydrated 5-FU@FAU composites to water might thus be a useful approach to trigger 5-FU release in drug delivery applications.
Urban and Regional Migration Estimates
Authors: Whitaker Stephan D.
Published: May 2024

This District Data Brief updates the figures that appeared in "Urban and Regional Migration Estimates: Will Your City Recover from the Pandemic?" with data for 2024:Q1 for all series. The first series measures net migration of people to and from the urban neighborhoods of major metro areas. The second series covers all neighborhoods but breaks down net migration to other regions by four region types: (1) high-cost metros, (2) affordable, large metros, (3) midsized metros, and (4) small metros and rural areas. The metro area definitions used here are for combined statistical areas, which group together adjacent regions like Cleveland, Akron, and Canton.
Transformación socioespacial y segregación residencial en la Zona Metropolitana de Guadalajara, México
Authors: Rodriguez Bautista Juan Jorge , Arias Castro Sandra Lorena , Cota Yañez Maria del Rosario
Published: May 2024

El objetivo es analizar la dinámica socio espacial de las distintas zonas que empiezan a concentrar diversos proyectos de construcción de edificios verticales para uso de vivienda, que generan efectos adversos que afectan la morfología espacial y el entorno urbano adyacente. La metodología se basó en el análisis de indicadores de rezago social por áreas geoestadísticas básicas (AGEB) de la ciudad, concentración de actividades terciarias y expansión de la mancha urbana. Dentro de las principales conclusiones apuntan a que el valor del suelo mediante el mercado inmobiliario es un elemento determinante para generar desigualdad y segregación residencial. Provocando alteraciones en el entorno urbano, situación presente en la mayoría de las grandes ciudades que buscan incorporarse a los mercados globales, así como a dar respuesta a la demanda de nuevos tipos de vivienda.
Physicochemical properties of Capsicum annum (red chilli) and Capsicum
frutescens (bird’s eye chilli) seed powder
Authors: M.S. Siti Nadzirah , R. Muhammad Ezzudin , M.S. Rabeta , D.S. Diningrat
Published: May 2024

Capsicum annuum and Capsicum frutescens are the most widely cultivated species in
Malaysia. Vegetable processing wastes, such as seeds, have been used as an alternative
resource to manage waste and as a food source in the food industry. This research aimed
to determine the potential of chilli seed powder as functional ingredient. Following this
analysis, the proximate, phytic acid, and mineral were conducted for chemical analysis.
Water and oil holding capacity and colour analysis were done for the physical study of
chilli seed powder. Results showed that the crude fat, crude fibre, and protein contents
were 22.24±0.50 g/100 g, 30.87±1.59 g/100 g and 17.57±0.28 g/100 g for C. annuum seed
powder and 17.68±0.44 g/100 g, 24.07±1.57 g/100 g, 16.1±0.48 g/100 g for C. frutescens
seed powder, respectively. Both chilli seed powders displayed low amounts of mineral
contents, such as calcium (Ca), sodium (Na), magnesium (Mg) and zinc (Zn). In addition,
C. frutescens seed powders exhibited phytic acid content (6.03±0.36 g/100 g) and red C.
annuum seed powder (8.64±1.96 g/100 g). The low amount of phytic acid in both samples
may be due to the low amount of minerals. The L* values of C. frutescens seed powder
(68.21±0.35) were significantly higher than that of C. annuum seed powder (66.17±0.35),
indicating the lightness in colour of both samples. As the L* value increased, the sample
became lighter in colour. Positive a* and b* values led to a yellowish colour. The waterholding capacity (WHC) and oil-holding capacity (OHC) were 2.25±0.38 and 0.87±0.07,
for C. annuum seed powder and 1.40±0.55 and 0.43±0.75 for C. frutescens seed powder,
respectively. Both powders exhibited low averages of WHC and OHC due to the low
amount of protein. Hence, C. annuum and C. frutescens seed powders may be used to
improve colour for the development of food products.