Aim/Purpose: This paper presents an exploratory case study into using 360° videos to present small segments of lecture content for IT students in an Australian University. The aim of this study was to understand; what is the impact of incorporating 360° videos into class content for students and teaching staff? In this study the 360° videos are described as “learning atoms”. Learning atoms are short duration videos (1 to 5 minutes) captured in 360°. Background: Within this paper we conducted experiments in the classroom using 360° videos to determine if they have an impact on student's feeling of presence with class content. Additionally, to follow up, how does the inclusion of 360° impact on the teaching experience. Methodology: The methodology used in this study focused on both quantitative and qualita-tive aspects. Data was captured at the same time during the teaching period to address the research questions. In order to gauge the feeling of presence within the classroom a short survey was administered to students in the undergraduate IT class at the start (pre) and end (post) of the semester using the same questions to measure any change. Contribution: The main contributions from this study were that we demonstrated there is a potential for providing an alternative ‘immersive’ content presentation for students. This alternative content took the form of 360° learning atoms, whereas further showed our nuance process for creating and publishing of these atoms. Findings: The results show that for students, learning atoms can help improve the sense of presence, particularly for remote students, however the interactive experience can take student’s attention away from the lecturer. The results present potential for providing an alternative ‘immersive’ content presentation for students, however problems for uptake are present for both students and teachers, such as image capture quality and file size Impact on Society: We foresee this approach as being a new approach to teaching students in higher education within online spaces to increase engagement and move towards having a richer virtual experience no matter the location. Future Research: Future research will be conducted to resolve whether presence and engagement is supported by the inclusion of 360° videos in the classroom.

The purpose of this paper was to explore the current and potential use of Facebook for learning purposes by Jordanian university students. The paper attempted to compare such use with other uses of Facebook. Further, the paper investigated Jordanian university students’ attitudes towards using Facebook as a formal academic tool, through the use of course-specific Facebook groups. To that end, quantitative data were collected from a sample of 451 students from three Jordanian public universities. Findings indicated that the vast majority of Jordanian students had Facebook accounts, which echoes its popularity amongst Jordanian youth compared to other types of online social networking sites. While both “social activities” and “entertainment” were the primary motivators for Jordanian students to create and use Facebook accounts, a growing number of them were using Facebook for academic purposes too. Further, Jordanian students had a positive attitude toward the use of “Facebook groups” as an educational tool for specific courses, and under specific conditions. Based on its findings, the paper provides suggestions for Jordanian higher institutions to invest in the application of Facebook as a formal academic tool.

Aim/Purpose: The use of digital technology, such as an electronic records management system (ERMS), has prompted widespread changes across organizations. The organization needs to support its operations with an automation system to improve production performance. This study investigates ERMS’s potentiality to enhance organizational performance in the oil and gas industry. Background: Oil and gas organizations generate enormous electronic records that lead to difficulties in managing them without any system or digitalization procedure. The need to use a system to manage big data and records affects information security and creates several problems. This study supports decision-makers in oil and gas organizations to use ERMS to enhance organizational performance. Methodology: We used a quantitative method by integrating the typical partial least squares (SEM-PLS) approach, including measurement items, respondents’ demographics, sampling and collection of data, and data analysis. The SEM-PLS approach uses a measurement and structural model assessment to analyze data. Contribution: This study contributes significantly to theory and practice by providing advancements in identity theory in the context of big data management and electronic records management. This study is a foundation for further research on the role of ERMS in operations performance and Big Data Management (BDM). This research makes a theoretical contribution by studying a theory-driven framework that may serve as an essential lens to evaluate the role of ERMS in performance and increase its potentiality in the future. This research also evaluated the combined impacts of general technology acceptance theory elements and identity theory in the context of ERMS to support data management. Findings: This study provides an empirically tested model that helps organizations to adopt ERMS based on the influence of big data management. The current study’s findings looked at the concerns of oil and gas organizations about integrating new technologies to support organizational performance. The results demonstrated that individual characteristics of users in oil and gas organizations, in conjunction with administrative features, are robust predictors of ERMS. The results show that ERMS potentiality significantly influences the organizational performance of oil and gas organizations. The research results fit the big ideas about how big data management and ERMS affect respondents to adopt new technologies. Recommendations for Practitioners: This study contributes significantly to the theory and practice of ERMS potentiality and BDM by developing and validating a new framework for adopting ERMS to support the performance and production of oil and gas organizations. The current study adds a new framework to identity theory in the context of ERMS and BDM. It increases the perceived benefits of using ERMS in protecting the credibility and authenticity of electronic records in oil and gas organizations. Recommendation for Researchers: This study serves as a foundation for future research into the function and influence of big data management on ERMS that support the organizational performance. Researchers can examine the framework of this study in other nations in the future, and they will be able to analyze this research framework to compare various results in other countries and expand ERMS generalizability and efficacy. Impact on Society: ERMS and its impact on BDM is still a developing field, and readers of this article can assist in gaining a better understanding of the literature’s dissemination of ERMS adoption in the oil and gas industry. This study presents an experimentally validated model of ERMS adoption with the effect of BDM in the oil and gas industry. Future Research: In the future, researchers may be able to examine the impact of BDM and user technology fit as critical factors in adopting ERMS by using different theories or locations. Furthermore, researchers may include the moderating impact of demographical parameters such as age, gender, wealth, and experience into this study model to make it even more robust and comprehensive. In addition, future research may examine the significant direct correlations between human traits, organizational features, and individual perceptions of BDM that are directly related to ERMS potentiality and operational performance in the future.

This study aims to identify and understand the perspectives of automotive aftersales stakeholders regarding current challenges posed by decarbonisation strategies. It examines potential responses that the automotive aftersales business could undertake to address these challenges. Semi-structured interviews were undertaken with automotive industry experts from Europe and Latin America. This paper focuses primarily on impacts of decarbonisation upon automotive aftersales and the potential role of data in that business. Results show that investment in technology will be a condition for businesses that want to remain active in the industry. Furthermore, experts agree that incumbent manufacturers are not filling the technology gap that the energy transition is creating in the automotive sector, a consequence of which will be the entrance of new players from other sectors. The current aftersales businesses will potentially lose bargaining control. Moreover, policy makers are seen as unreliable leaders of the transition agenda.

Aim/Purpose: To explore the incidence of addiction potential within the Iranian public working population, describing how many Iranian public employees fall within the diagnostic categories of low, moderate, and high addiction potential. Also, to investigate the predicting role of occupational variables such as perceived stress, job security, and job satisfaction on addiction potential and belonging to low, moderate, and high addiction potential diagnostic categories. Background: Substance addiction among employees can lead to several negative consequences at the individual and organizational levels. Also, it is the fourth cause of death in Iran. However, few studies have been conducted on the topic among employees, and non among Iranian employees. Methodology: The study participants were 430 employees working in governmental offices of the North Khorasan province, Iran. Descriptive statistical analysis and multiple linear regression analysis were conducted to explore the incidence of addiction potential within the analyzed population and to investigate whether occupational variables such as perceived stress, job security, and job satisfaction predicted low, moderate, or high addiction potential. Contribution: This paper suggests that perceived stress might act as a risk factor for developing addiction, whereas job security and job satisfaction might be protective factors against the likelihood of addiction development. Findings: More than half of the sample showed moderate to high addiction potential. Perceived stress was positively related to addiction potential. Job security and job satisfaction were negatively related to addiction potential. Recommendation for Researchers: When addressing the topic of substance addiction, researchers should focus on the preventative side of investigating it; that is, addiction risk rather than already unfolded addiction. Also, researchers should be mindful of the cultural context in which studies are conducted. Future Research: Future research might investigate other relevant occupational predictors in relation to employee addiction potential, such as leadership style, work-life balance, and worktime schedule, or expand on the relevant causal chain by including personality traits such as neuroticism.

KUALA LUMPUR: Malaysia’s government is monitoring developments in the United States for potential changes in policies as a new administration prepares to take office in Washington, said Economy Minister Rafizi Ramli.

He said that given the influence the US has on the global economy, any country in the world would conduct some level of due diligence on the impacts a change in the US administration might bring.

“That is part and parcel of planning. While we await the next few announcements, we will observe how the Trump administration will impact the global economy and ours,” he told reporters after the Sesi Libat Urus Industri Rancangan Malaysia Ke-13 today.

Rafizi said Malaysia must be nimble and agile to react and respond to any geopolitical and international developments that may arise from a change in administration, not only in the US but in any of its large trading partners. “And the US is a very large trading partner for us,” he pointed out.

However, Rafizi noted that many of Malaysia’s plans concerning semiconductors and energy transition are driven by domestic needs and are largely structural. “That means it’s something we have to go through to prepare our industry and economy to be more robust. So in that sense, I think all the key reforms that need to be done still have to be done.”

Additionally, he said, Malaysia’s 13th Malaysia Plan will include initiatives to position the country as a global provider of a comprehensive artificial intelligence-driven data centre ecosystem. “The government’s focus has always been to tap into the opportunities presented by the data centre boom.”

Rafizi emphasised that Malaysia aims to avoid simply attracting data centre without integrating into the data centre value chain and supply chain. “We have been working on a few catalytic interventions to create the ecosystem.”

Rafizi said that by the end of this decade, Malaysia aims to participate in the entire data centre value chain, first benefiting from existing and future data centers in the country. “But more importantly, for us to begin exporting our own data centers around the world.”

For the 13th Malaysia Plan that is being prepared, Rafizi said, the Ministry of Economy is not only holding engagement sessions with state governments but also ensuring that it includes input from key strategic industries.

The sessions focus on the electronics, aerospace and automotive industries, and the process will continue to align government and industry planning. “The main goal is to transition our industries from assembly-based to innovation and creation-based industries,” Rafizi said.

KUALA LUMPUR: Prime Minister Datuk Seri Anwar Ibrahim’s official visit to Egypt has bolstered Malaysia-Egypt bilateral relations, unlocking RM4.8 billion (US$1.1 billion) in potential export opportunities for Malaysia, according to the Ministry of Investment, Trade and Industry (MITI).

MITI stated that this export potential was largely generated through a roundtable meeting attended by 60 industry and business leaders from 47 Egyptian firms and key business associations, as well as 40 representatives from 20 Malaysian companies.

“During the session, productive discussions between Malaysian and Egyptian companies identified export potential worth RM4.8 billion (US$1.1 billion), particularly in high-value sectors such as automotive, chemicals, oleochemicals and renewable energy,” MITI said in a statement.

Egyptian companies also expressed interest in investment opportunities in Malaysia, particularly in medical devices and pharmaceuticals, MITI added.

The official visit took place from Nov 10-12, 2024.

In a bilateral meeting during the visit, MITI Minister Tengku Datuk Seri Zafrul Abdul Aziz and Egypt’s Minister of Investment and International Trade Hassan El Khatib agreed to reactivate the Malaysia-Egypt Joint Trade and Investment Committee (JTIC).

Malaysia will host the second JTIC Meeting in early 2025, focusing on collaboration in the semiconductor sector, renewable energy, the halal industry and digital transformation.

The two ministers further agreed that Malaysia’s Investment Development Board (MIDA) and Egypt’s General Authority for Investment and Free Zones (GAFI) should sign a memorandum of understanding to enhance bilateral investment relations.

To support Malaysian exporters’ access to North African and Arab markets, MITI noted that Malaysia’s trade office in Cairo, managed by the Malaysia External Trade Development Corporation (MATRADE), was upgraded in January 2024, offering improved market access and export support services.

Meanwhile, national carmaker Proton has expanded into the Egyptian market with a local assembly plant.

Assembly activities began with the first delivery of Proton’s completely knocked down (CKD) vehicles in September 2024, and sales are expected to start in January 2025, with a target of 16,000 units for the period 2024–2026, MITI reported.

Bilateral trade between Malaysia and Egypt from January to September 2024 rose 21.4% year-on-year to RM3.0 billion (US$648 million), compared to RM2.4 billion (US$545.5 million) in the same period last year.

Egypt was Malaysia’s fifth-largest trading partner in Africa in 2023.

Tengku Zafrul said MITI is confident this bilateral relationship will continue to grow, positively impacting the economy and supporting the objectives of the New Malaysian Industrial Master Plan (NIMP) by 2030.

“MITI and its agencies will take prompt follow-up action to ensure that all agreed initiatives are implemented efficiently,” he added.

The island's close vicinity to significant marine lanes in the Bay of Bengal has piqued the interest of global powers.

On Tuesday 30 September 2014, the European Parliament Intergroup on "Climate Change, Biodiversity and Sustainable Development", in collaboration with the European Commission and the International Union for Conservation of Nature (IUCN), organised a full day conference entitled: "Nature-Based Solutions: Innovation potential for Smart, Sustainable and Inclusive Growth in Europe."

Bringing together 140 participants including representatives from the European Institutions, local and regional authorities, research institutes, NGOs and International organisations, as well as private sector representatives, this conference aimed at promoting the solutions that nature can offer in tackling major challenges, such as climate change and natural disasters, in ensuring food security to an increasing population, in protecting the health of European citizens, and the conservation of biodiversity in the EU and at the global level.

The importance of measuring species diversity as an indicator of ecosystem health has been long recognized and it seems that satellite remote sensing (SRS) has proven to be one of the most cost-effective approaches to identify biodiversity hotspots and predict changes in species composition. What is the real potential of SRS and what are the pitfalls that need to be avoided to achieve the full potential of this method is the topic of a new research, published in the journal Remote Sensing in Ecology and Conservation.

The new study, supported by the FP7 funded EU project EU BON takes the assessment of diversity in plant communities as a case study. Showing the difficulties to achieve high results by relying only on field data, the paper discusses the advantages of SRS methods.

"In contrast to field-based methods, SRS allows for complete spatial coverages of the Earth's surface under study over a short period of time. Furthermore, it provides repeated measures, thus making it possible to study temporal changes in biodiversity," explains Dr. D. Rocchini from Fondazione Edmund Mach, lead author and WP deputy leader / task leader in EU BON. "In our research we provide a concise review of the potential of satellites to help track changes in plant species diversity, and provide, for the first time, an overview of the potential pitfalls associated with the misuse of satellite imagery to predict species diversity. "

Traditionally, assessment of biodiversity at local and regional scales relies on the one hand on local diversity, or the so called alpha-diversity, and on the other, on species turnover, or beta-diversity. Only in combination of these two measures can lead to an estimate of the whole diversity of an area.

While the assessment of alpha-diversity is relatively straightforward, calculation of beta-diversity could prove to be quite challenging. This is where increased collaboration between the remote sensing and biodiversity communities is needed in order to properly address future challenges and developments.

The new research shown the high potential of remote sensing in biodiversity studies while also identifying the challenges underpinning the development of this interdisciplinary field of research.

"Further sensitivity studies on environmental parameters derived from remote sensing for biodiversity mapping need to be undertaken to understand the pitfalls and impacts of different data collection processes and models. Such information, however, is crucial for a continuous global biodiversity analysis and an improved understanding of our current global challenges."concludes Dr. Rocchini.

Original Source:

Rocchini, D., Boyd, D. S., Féret, J.-B., Foody, G. M., He, K. S., Lausch, A., Nagendra, H., Wegmann, M., Pettorelli, N. (2016), Satellite remote sensing to monitor species diversity: potential and pitfalls. Remote Sensing in Ecology and Conservation, 2: 25-36. doi: 10.1002/rse2.9

The ECOPOTENTIAL H2020 project, focusing its activities on blending Earth Observations from remote sensing, field measurements, data analysis and modeling of current and future ecosystem conditions and services, is organizing this workshop in Brussels on the 10th of January 2018, from 9.00 to 17:30. 

The main objective of the workshop is to prospect the state-of-the-art of Remote Sensing as a Sentinel tool to monitor, characterize and understand the state, ongoing changes and effectiveness of conservation and management actions of natural landscapes and to facilitate an open debate among scientists and the involved Institutions. This workshop is part of the multiple events organized by the ECOPOTENTIAL Project on the week of 9th-12th of January 2018, starting on Jan 9th with the opening of the photo-exhibition with the same title, on display at the European Parliament. 

Registration: http://ves.cat/emIm

Agenda: http://www.ecopotential-project.eu/images/ecopotential/img_news/Spaced-workshop-AGENDA-Jan-10-2018.pdf

Event's website: http://www.ecopotential-project.eu/2015-08-19-15-19-05/2015-10-16-13-48-29/205-spaced-using-earth-observations-to-protect-natural-landscapes.html

The official kick-off meeting of the EU funded Horizon 2020 project ECOPOTENTIAL will take place on 25-26 June 2015 in the ancient Valentino Castle on the bank of the Po river in Torino, Italy.

The main objective of this project led by the Consiglio Nazionale delle Ricerche (CNR) is to making Earth Observation and Monitoring Data usable for ecosystem modelling and services. This will also be done in selected Protected Areas in Europe, with a strong focus on mountain ecosystems, including a specific pilot site in the Carpathians. The project will make an important contribution to the work of the Group on Earth Observation (GEOSS) as well as UNEP Live.

More information and agenda to follow.

The Second ECOPOTENTIAL General Scientific Meeting and General Assembly of Partners will take place in Heraklion, Crete, from May 16th to May 19th, kindly hosted by the ECOPOTENTIAL Partner FORTH.

The General Meeting is aimed at a comprehensive presentation and discussion about the research activities, highlighting the status of the project, the main results, the critical points and the future perspectives. The Scientific advisors will give lectures and will participate to the discussion. Main topics will be The Essential Variables, the Status of Remote Sensing data, in situ data and modelling, the Virtual Laboratory Platform, the research on changes over Protected Areas and future projections, as well as the issues related to cross scale interactions. 

More information here.

Some health groups have said it’s time to do away with time switches and that sticking with standard time aligns better with the sun — and human biology.

The post Daylight saving time ends this weekend. This is how to prepare for the potential health effects. appeared first on Boston.com.

Being a primary caregiver while working full time is a challenge in itself and even more so during the pandemic. Elaine Varelas guides on how to best keep your family members safe while maintaining your work responsibilities.

The post As both a full-time employee and a primary caregiver to one of my family members, I am worried about potentially exposing my family to COVID. Is there anything I can do? Elaine Varelas guides appeared first on Boston.com.

Piscataway, NJ — A recent study of volunteer firefighters shows that their bodies have higher levels of “forever chemicals” than those of people in the general public, and the amount of these potentially harmful substances likely rises with time and exposures.

Washington — OSHA is asking representatives from small businesses, as well as local governments and nonprofit organizations, to weigh in on how a standard to protect workers from heat illness would affect small entities.

Istanbul — A recent study involving female mice shows that only four weeks of shift work-like light patterns were enough to disrupt their biological clock and reduce fertility.

Smart home devices and QR codes can inadvertently unlock vulnerabilities

Remote video monitoring is not a new concept. And while its application has remained for the most part limited and narrow in scope for years, its trajectory is on the cusp of spiking.

Washington — Citing a growing trend of people pointing lasers at airplanes, the Federal Aviation Administration is calling for product labels warning consumers that the safety of flight crews and passengers is being put at risk.

Watertown, SD — Workforce expansion in the communication tower industry has created “a huge untapped potential for women” while enhancing the need for proper safety training for all workers, Andrea Lee, the National Tower Erectors’ Women of NATE committee chair, said during a recent Federal Communications Commission podcast.

Washington – Four stakeholders recently debated the merits of an OSHA injury and illness prevention program standard.

Washington — OSHA’s Advisory Committee on Construction Safety and Health has scheduled a teleconference/WebEx meeting for Sept. 9 to discuss potential changes to beryllium regulations, according to a notice published in the Aug. 8 Federal Register.

Gaithersburg, MD — Many laser protective eyewear products may not be adequately tested – by both manufacturers and end users – for lasers that emit high-power, ultrafast pulses, potentially putting workers at risk, according to a study from the National Institute of Standards and Technology.

Researchers produced pulp from recycled food and beverage cartons, which it then transformed into moulded products using two commonly used techniques.

After the recent addition of LL Flooring to the F9 Brands retail portfolio, F9 Brands CEO Jason Delves said the company is exploring other potential strategic options that will better align with Southwind’s long-term growth opportunities.

: Just when IT and OT professionals were feeling a little more comfortable in preventing and tackling ransomware/malware attacks, now they have something new to worry about—and potentially just as insidious—the Log4j vulnerability.

This paper addresses the impact of using automated flagging devices in road construction instead of using construction workers. To examine the efficacy of automating this construction activity, a group of drivers with diverse characteristics/demographics was involved in the study. The diverse characteristics included gender, age, years of driving experience, and level of formal education (e....

Children's Geographies; 06/01/2021
(AN 151284202); ISSN: 14733285
Academic Search Premier

Children's Geographies; 06/01/2022
(AN 156867991); ISSN: 14733285
Academic Search Premier

Children's Geographies; 06/01/2023
(AN 164286253); ISSN: 14733285
Academic Search Premier

The post Potential Schizophrenia Medications Point to New Disease Model was curated by information for practice.

Accurate reporting of outcomes is crucial for interpreting the results of randomized controlled trials (RCTs). However, selectively reporting outcomes in publications to achieve researchers’ anticipated result… Read the full article ›

The post Impact of selective reporting bias on stroke trials: potential compromise in evidence synthesis – A cross-sectional study was curated by information for practice.

Our next rain system brings scattered showers on Wednesday.

Offering insights into the most effective, tried and tested approaches to managing retail risk, supplier of loss prevention solutions and retail technology, Checkpoint Systems UK, has revealed the conference agenda for its upcoming appearance as title sponsor at Retail Risk London on 22 July 2021.

University of Georgia School of Law Assistant Professor of Law & Faculty Co-Director of the Dean Rusk International Law Center Desiree LeClercq, who specializes in international labor law and worked in the Office of the U.S. Trade Representative during the previous Trump administration, as well as in the International Labor Organization and at the National Labor Relations Board, is available for further commentary at desireelc@uga.edu.

Viscose, a semisynthetic fiber, is the most common type of rayon fabric. It's become a staple in the textile industry due to its versatility and affordability. Derived from cellulose and wood pulp, viscose can mimic the luxurious feel of silk while offering the practicality of cotton.

Funding awarded for study on hydrogen storage potential in the East Midlands  British Geological Survey

The synthesis of a chiral isothiourea, namely, (4aR,8aR)-3-phenyl-4a,5,6,7,8,8a-hexahydrobenzo[4,5]imidazo[2,1-b]thiazol-9-ium bromide, C15H17N2S+·Br−, with potential organocatalytic and anti-inflammatory activity is reported. The preparation of the heterocycle of interest was carried out in two high-yielding steps. The hydrobromide salt of the isothiourea of interest provided suitable crystals for X-ray diffraction analysis, the results of which are reported. Salient observations from this analysis are the near perpendicular arrangement of the phenyl ring and the mean plane of the heterocycle. This conformational characteristic may be relevant with regard the stereoselectivity induced by the chiral isothiourea in asymmetric reactions. Furthermore, evidence was found for the existence of an S...Br− halogen bond.

New software capabilities in RMCProfile allow researchers to study the structure of materials by combining machine learning interatomic potentials and reverse Monte Carlo.

Structure refinement with reverse Monte Carlo (RMC) is a powerful tool for interpreting experimental diffraction data. To ensure that the under-constrained RMC algorithm yields reasonable results, the hybrid RMC approach applies interatomic potentials to obtain solutions that are both physically sensible and in agreement with experiment. To expand the range of materials that can be studied with hybrid RMC, we have implemented a new interatomic potential constraint in RMCProfile that grants flexibility to apply potentials supported by the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) molecular dynamics code. This includes machine learning interatomic potentials, which provide a pathway to applying hybrid RMC to materials without currently available interatomic potentials. To this end, we present a methodology to use RMC to train machine learning interatomic potentials for hybrid RMC applications.

This report presents a comprehensive investigation into the synthesis and characterization of Schiff base com­pounds derived from benzene­sul­fon­amide. The synthesis process, involved the reaction between N-cyclo­amino-2-sulf­anil­amide and various substituted o-salicyl­aldehydes, resulted in a set of com­pounds that were subjected to rigorous characterization using advanced spectral techniques, including 1H NMR, 13C NMR and FT–IR spectroscopy, and single-crystal X-ray diffraction. Furthermore, an in-depth assessment of the synthesized com­pounds was conducted through Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) analysis, in conjunction with docking studies, to elucidate their pharmacokinetic profiles and potential. Impressively, the ADMET analysis showcased encouraging drug-likeness properties of the newly synthesized Schiff bases. These computational findings were substanti­ated by mol­ecular properties derived from density functional theory (DFT) calculations using the B3LYP/6-31G* method within the Jaguar Module of Schrödinger 2023-2 from Maestro (Schrodinger LLC, New York, USA). The ex­plor­ation of frontier mol­ecular orbitals (HOMO and LUMO) enabled the computation of global reactivity descriptors (GRDs), encompassing charge separation (Egap) and global softness (S). Notably, within this analysis, one Schiff base, namely, 4-bromo-2-{N-[2-(pyr­rol­idine-1-sul­fonyl)phenyl]car­box­imid­oyl}phenol, 20, em­erged with the smallest charge separation (ΔEgap = 3.5780 eV), signifying heightened potential for biological properties. Conversely, 4-bromo-2-{N-[2-(piper­idine-1-sul­fonyl)phenyl]car­box­imid­oyl}phenol, 17, exhibited the largest charge separation (ΔEgap = 4.9242 eV), implying a relatively lower propensity for biological activity. Moreover, the synthesized Schiff bases displayed re­marke­able inhibition of tankyrase poly(ADP-ribose) polymerase enzymes, integral in colon cancer, surpassing the efficacy of a standard drug used for the same purpose. Additionally, their bioavailability scores aligned closely with established medications such as trifluridine and 5-fluoro­uracil. The ex­plor­ation of mol­ecular electrostatic potential through colour mapping delved into the electronic behaviour and reactivity tendencies intrinsic to this diverse range of mol­ecules.

The Mycobacterium tuberculosis trifunctional enzyme (MtTFE) is an α2β2 tetrameric enzyme in which the α-chain harbors the 2E-enoyl-CoA hydratase (ECH) and 3S-hydroxyacyl-CoA dehydrogenase (HAD) active sites, and the β-chain provides the 3-ketoacyl-CoA thiolase (KAT) active site. Linear, medium-chain and long-chain 2E-enoyl-CoA molecules are the preferred substrates of MtTFE. Previous crystallographic binding and modeling studies identified binding sites for the acyl-CoA substrates at the three active sites, as well as the NAD binding pocket at the HAD active site. These studies also identified three additional CoA binding sites on the surface of MtTFE that are different from the active sites. It has been proposed that one of these additional sites could be of functional relevance for the substrate channeling (by surface crawling) of reaction intermediates between the three active sites. Here, 226 fragments were screened in a crystallographic fragment-binding study of MtTFE crystals, resulting in the structures of 16 MtTFE–fragment complexes. Analysis of the 121 fragment-binding events shows that the ECH active site is the `binding hotspot' for the tested fragments, with 41 binding events. The mode of binding of the fragments bound at the active sites provides additional insight into how the long-chain acyl moiety of the substrates can be accommodated at their proposed binding pockets. In addition, the 20 fragment-binding events between the active sites identify potential transient binding sites of reaction intermediates relevant to the possible channeling of substrates between these active sites. These results provide a basis for further studies to understand the functional relevance of the latter binding sites and to identify substrates for which channeling is crucial.

The first edition of the Unlocking the Potential of A2A Payments Report 2024 provides the latest insights into the A2A space.