bluuebunny/crossref_metadata_2025 huggingface dataset:
Hungarian Farmers and the Adoption of Precision Farming
Authors: Czibere Ibolya , Kovách Imre , Loncsák Noémi
Published: September 2023

Definitions of precision farming emphasise that it is at the heart of the pursuit of economic, environmental and social sustainability. In our study, precision farming is understood as a form of farming that seeks to optimise and manage efficiently, where technology is the key factor, but is primarily based on human knowledge and willingness to use technology. We discuss precision farming as a social innovation of artificial intelligence. Primarily, the social conditions of the application were the focus of our research, which is characteristically different from economic, financial and productivity approaches. The potential for the application of precision farming varies widely from country to country. Our aim is to analyse the diffusion and limitations of precision farming in Hungary and the motivations of farmers. In our qualitative research, we interviewed 60 precision farmers and 10 experts about their perceptions of precision technology and their motivations and barriers to the use of AI. Our results show that the main barriers to the uptake of precision technologies are the low education level of farmers, their inexperience, low interest level and lack of commitment. They are not aware of the benefits of precision technologies and do not take the time to acquire information and knowledge. There is a lack of willingness to cooperate and a very low level of trust among Hungarian farmers.
Development of Business Activities in Peripheral Parts of Rural Areas, Western Bohemia
Authors: Vorobljevová Veronika , Novotná Marie
Published: September 2023

The aim of this paper is to assess the development of business activities in the Czech countryside in the period from 2008 to the present and to show possible limitations and perspectives of this area. The research was conducted by analysing economic entities located in rural municipalities in the peripheral areas of Western Bohemia. The assessment is based on the use of the Public Database of the Czech Statistical Office (statistics on economic entities, number of economic entities, number of economic entities created in 2008–2020) and a dataset on economic entities defunct in 2008–2021 provided by the Czech Statistical Office. We have analysed the economic entities by geographical location, size of municipality and industry specification. We use analysis of variance to assess whether the population size of a municipality has a statistically significant effect on the number of economic entities per 100 residents of the municipality, and we use visualization cartographic methods, density maps and cartograms to assess spatial differentiation. We have found that the nature of business activities in the study area is changing along the lines of urban locations, but, due to a number of factors, many rural economic entities are in a more economically precarious position.
Struggle against Disinformation in the Czech Republic: Treading the Water
Authors: Cabada Ladislav
Published: September 2023

In the last decade, the Czech Republic’s foreign and security policy were destabilised with the activities of external actors, with Russia in the leading role, and also internal actors who followed the Russian and pro-Kremlin propaganda and disinformation campaigns and/or actively participated in such subversive activities. After 2015, within the set of crises and their securitisation, the disinformation network in Czechia was developed using the social media and the so-called alternative online media for the dissemination of disinformation, misinformation, fake news and chain mails including and disseminating these campaigns. As far as the leading persons in the executive belonged to the disinformers, the government did not develop working strategies against the disinformation campaigns as the new hybrid threat until 2021. At the end of 2021, the new government of Prime Minister Petr Fiala commenced in the Czech Republic with a new strategy regarding the hybrid threats, including disinformation. The one-year plan to establish the systemic platform for the struggle against such threats was challenged with the Russian aggression against Ukraine. The surprisingly strong response to disinformation campaigns after February 24, 2022, suggested a more systematic approach by the government against fake news and incitement to hatred. A year and a half on, however, we are seeing a stalling in place.
The Framing of the “Desolate” in Czech Nationwide Media
Authors: Fikejzová Michaela , Charvát Martin
Published: September 2023

The aim of the present study is to analyze the framing of the group of citizens referred to as “desolates” in the Czech nationwide media. Using the method of discourse analysis on a sample of media texts from the period October 2022 – March 2023, we identified two types of framing present in media discourse: (i) frame of desolates as disobedient citizens, (ii) frame of desolates as concerned citizens. Meanwhile, the basic nodal point of this discourse is the enforcement of the social norm of the “correct” and “suitable” citizen, on which both identified frames are based. The two frames interact simultaneously with each other – the former functions to define “desolates” as a socially and politically undesirable phenomenon, while the latter reactively defends “desolates” as “concerned ordinary citizens”.
Ranking methodology to prioritize high-speed railway corridors
Authors: Celebi Ismail
Published: September 2023

The purpose of this article is to create and calibrate a high-speed rail passenger traffic-based ranking model using historical high-speed rail ridership data from Spain. The existing literature is scarce, and the models used have several main issues, such as arbitrariness, and not representing the real relations of variables. These models are analysed using real-world high-speed rail data; and improved by calibration with the data. Based on the results, I demonstrate the strengths and weaknesses of these models and propose a new model by combining the strong aspects of these models. I also show the importance of intermediate cities for the estimated ridership of an HSR corridor. The study develops our understanding of the ranking models and provides a more promising ranking solution as a contribution to high-speed rail planning.
ESG Reporting and Capital Market Investors: Insights from the Global Technology and Fintech Industries
Authors: Horobeţ Alexandra , Mnohoghitnei Irina , Belaşcu Lucian , Croitoru Ionuț Marius
Published: September 2023

This research investigates the evolving nexus between sustainability practices and firm market value, with a specific focus on the rapidly growing Fintech sector. As concerns about environmental, social, and governance (ESG) issues continue to gain prominence, understanding the implications of sustainability efforts on firm performance becomes crucial. This study proposes an empirical exploration of how sustainability initiatives, embedded in ESG scores, undertaken by Fintech firms influence their market valuations. Moreover, the investigation contrasts the findings for the Fintech firms against those for their counterpart Technology firms for the period between 2011 and 2021. The results show that Technology firms are better valued than their Fintech counterparts, which might reflect a perception of higher risk for the later. By employing panel econometric techniques in the system-GMM setting, the paper finds that capital market investors include ESG factors in their valuation of Fintech and Techinology companies, but the environmental and governance-related initiatives at corporate level are most important in this process. The study seeks to contribute to both the theoretical understanding of the sustainability-market value relationship and the practical insights relevant to Fintech firms and their stakeholders.
Диверсификация рынка сувенирной продукции особо охраняемых природных территорий федерального значения Российской Федерации
Authors: Суржиков Виктор Иванович , Хмельницкая Анастасия Эдуардовна
Published: September 2023

Предметом исследования является рынок персонализированной сувенирной продукции особо охраняемых природных территорий (ООПТ) федерального значения России. Цель работы – на основе теоретических представлений и анализа рынка сувенирной продукции особо охраняемых природных территорий разработать рекомендации по его диверсификации. Методы: исследование проводилось с использованием методов анализа, синтеза, сравнительно-описательного, статистического, проектирования. Результаты: в статье исследована сущность понятия «сувенир»; предложен критерий классификации сувенирной продукции; на основе выделенных критериев проведён анализ рынка сувенирной продукции особо охраняемых природных территорий федерального значения. Составлены рейтинги: наиболее популярных наименований сувенирной продукции; ООПТ, реализующих наибольшее количество наименований; ООПТ по средней стоимости реализуемой продукции; наиболее и наименее дорогостоящих наименований. Разработаны рекомендации по созданию уникальной сувенирной продукции в формате мастер-классов. Научная новизна: предложен классификационный признак сувенирной продукции, впервые получены результаты анализа рынка персонализированной сувенирной продукции особо охраняемых природных территорий федерального значения Российской Федерации. Практическая значимость: предложенные рекомендации могут быть использованы дирекциями особо охраняемых природных территорий для вовлечения туристов в процесс производства уникальной и разнообразной сувенирной продукции. Ключевые слова: сувенирная продукция, особо охраняемые природные территории, национальный парк, заповедник, туристско-рекреационная деятельность, мастер-класс, Российская Федерация.
Persepsi Petani terhadap Tingkat Kekritisan Risiko Usahatani Bawang Putih dan Strategi Manajemen Risikonya (Studi Kasus di Kabupaten Temanggung)
Authors: Dian Kurniasih  , Yusman Syaukat  , Rita Nurmalina  , Suharno
Published: September 2023

Penelitian ini bertujuan mengidentifikasi faktor risiko usahatani bawang putih, menganalisis persepsi petani terhadap tingkat kekritisan faktor risiko, merumuskan strategi manajemen risikonya, serta menganalisis pengaruh penyuluhan dan faktor lainnya terhadap adopsi Standar Operasional Prosedur (SOP) sebagai strategi mengurangi risiko produksi. Penelitian dilakukan di Kabupaten Temanggung dengan mewawancarai 25 tokoh kunci yang dipilih secara purposive dan 234 petani bawang putih yang dipilih dengan metode simple random sampling. Faktor risiko diidentifikasi dengan diagram fishbone. Failure Mode and Effect Analysis (FMEA) digunakan untuk menilai persepsi petani terhadap tingkat kekritisan faktor risiko sedangkan analisis deskriptif untuk merumuskan strategi manajemen risikonya. Faktor-faktor yang memengaruhi adopsi SOP dianalisis dengan metode regresi linear berganda. Hasil analisis FMEA menyatakan faktor risiko yang dipersepsikan paling kritis ialah perubahan iklim /cuaca, rendahnya harga jual, panjangnya rantai pemasaran, dan rendahnya adopsi SOP. Strategi manajemen risikonya ialah peningkatan sekolah lapang berbasis bidang masalah, peningkatan fungsi sub terminal agribisnis, dan peningkatan adopsi SOP. Tingkat adopsi SOP dipengaruhi oleh pengalaman petani, pengetahuan tentang SOP, sikap terhadap SOP, luas lahan, jenis kelamin, dan penyuluhan. Penelitian ini menyarankan pemerintah perlu mengefektifkan program pengembangan bawang putih kolaboratif hulu hilir bersama stakeholders terkait untuk menekan risiko usahatani bawang putih
Transformación digital de la atención psicológica: estado actual de la telepsicología en Colombia
Authors: Romero Guzmán  Fredy Alexander , Solano León Ernesto de Jesús , Osorio Ospina Henry Eduardo
Published: September 2023

La interacción constante entre el desarrollo de las tecnologías de la información y comunicación (tic) y la prestación de servicios en salud conlleva, intrínsecamente, expectativas sobre sus potencialidades y reflexión sobre sus limitaciones. La transformación digital de la atención psicológica puede ser entendida como parte de la progresiva digitalización de los servicios en salud, y de las nuevas tendencias en telesalud. La masiva migración de atención sanitaria a los ambientes virtuales por las medidas de aislamiento por el covid-19 hizo, a su vez, repensar los desafíos de los profesionales en psicología frente a la adopción de estas herramientas y los nuevos modos de atención basados en ellas. Se realizó un proceso de exploración, mediante revisión narrativa y crítica de la literatura acerca del estado actual de la telepsicología, considerando las publicaciones sobre la efectividad de la atención telepsicológica y la adopción de las tecnologías emergentes para complementar, automatizar o replantear los procesos de terapia y asesoramiento. La telepsicología, que aparece en medio del interés renovado por el futuro de la atención sanitaria y telesalud, se debate entre la paradoja de la expansión del acceso a servicios en salud mental junto a la exclusión de amplios sectores sin acceso a conectividad. Se concluye que se requiere una mayor investigación al respecto, a la vez que una discusión que fundamente las políticas que impulsen una reducción de las brechas de acceso a tic a la par de las que ya existen en acceso a salud mental.
Natural-Language-Processing-Enabled Quantitative Risk Analysis of Aerial Wildfire Operations
Authors: Andrade Sequoia , Walsh Hannah S.
Published: September 2023

Aerial wildfire operations are high risk and account for a large number of firefighter deaths. The increasing intensity of wildfires is driving a surge in aerial operations, as well as interest to improve system safety and performance. In this work, wildfire aviation mishaps documented using the Aviation Safety Communiqué (SAFECOM) system are analyzed using a previously developed framework for hazard extraction and analysis of trends. Hazards and specific failure modes are extracted from the narrative data in SAFECOM forms using natural language processing techniques. Metrics for each hazard (including the frequency, rate, and severity) are calculated. We examine whether these metrics change over time and whether they are related to metadata, such as region and aircraft type. The results of the hazard analysis are presented in a risk matrix, identifying the highest and lowest risk hazards based on the rate of occurrence and average severity. The analysis of all SAFECOM reports indicated that the jumper operations hazards were classified as high risk; whereas the hydraulic fluid malfunctions, bucket or tank failures, retardant loading and jettison failures, prescribed burn operations, cargo letdown failures, and severe weather were classified as serious risk. However, when applied to a specific operational scenario, risk levels change across hazards.
Akademik Stalk: Kişisel Sunum Mu? Kendini İfşa Zorunluluğu Mu?
Authors: UĞUZ ARSU Şerife
Published: September 2023

Araştırmanın temel amacı, akademik stalk kavramına ilişkin algı ve deneyimleri görünür kılmak ve kavram ile ilgili genel ve geçerli bir tanım ortaya koymaktır. Bu amaçtan hareketle tümevarımsal bir çıkarımda bulunmak amacıyla nitel araştırmanın veri oluşturma analiz ve teknikleri kullanılmış ve fenomenolojik bir yaklaşım benimsenmiştir. Katılımcılar nitel araştırmalarda kullanılan amaçlı örnekleme kapsamında kartopu yöntemi ile belirlenmiştir. Veriler tematik içerik analizi yöntemiyle MAXQDA 22 ile analiz edilmiştir. Araştırma sonucunda “Kişisel Sunum: Gören Olmak” ve “Zorunlu İfşa: Görünen Olmak” şeklinde iki ana tema elde edilmiştir. Ana temalar kapsamında akademik stalk kavramı, akademik stalk yapan yani “gören kişi”ler ve stalklanan yani “görülen kişi”ler açısından değerlendirilmiştir. Ayrıca akademik stalk yapılan platformlar, akademik stalk kriterleri ve her iki taraf açısından akademik stalkın neden ve sonuçları ele alınarak akademik stalk kavramı olumlu, olumsuz, akademik ve genel anlamda kavramsallaştırılmıştır. Araştırma sonucuna göre, akademisyenlerin "Akademik Meraklar”, “Öğrenme/Gelişim Amaçlı Stalk”, “Gündemi Takip Amaçlı Stalk”, “Rekabet Amaçlı Stalk”, “Motivasyon Amaçlı Stalk” ve “Gizli Stalk” yaptıkları ortaya konmuştur.
Effect of azithromycin administration in cases of acute bronchiolitis – A systematic review and meta-analysis
Authors: Tamilarasan Preethi , Thandapani Kanimozhi , Mary J. Jenifer Florence , Mohan Reenaa , Ganapathy Kalaiselvan
Published: September 2023

Acute Bronchiolitis is the most common viral lower respiratory tract infection in infants requiring hospitalization. Management is usually symptomatic and supportive with no specific treatment options. Although viral, Azithromycin by its anti-inflammatory properties might play a role in improving the clinical outcome. The objective was to assess the effect of azithromycin on length of hospital stay and duration of oxygen requirement in cases of acute bronchiolitis. Data sources such as PubMed and Google Scholar were systematically searched till June 2023. The meta-analysis included all published, randomized controlled trials that investigated the efficacy of Azithromycin over placebo in infants <24 months with acute bronchiolitis. Data extraction was guided by a predetermined checklist. Using RevMan 5 software, the mean length of hospital stay and duration of oxygen administration were pooled from the selected studies. The fixed-effect model was used to compare the length of hospital stay and the duration of oxygen administration in the Azithromycin and placebo group. Data analyses were performed in July 2023. The primary outcome was a comparison of the length of hospital stay in infants with Bronchiolitis receiving either azithromycin (intervention) or placebo (control). The secondary outcome was the assessment of the duration of oxygen requirement in both intervention and control groups.The initial search yielded 601 records of which 68 articles underwent full-text evaluation, which identified four articles and a total of 571 patients that were included. The findings did not favor the usage of azithromycin antibiotic in treatment of acute bronchiolitis (Mean deviation = 1.21, 95% CI 0.53–2.78, P = 0.80). An insignificant Q statistic (P = 0.001) indicated the absence of heterogeneity (I2 = 0%). Length of hospital stay showed an overall insignificant effect as the length of stay is almost similar in both drugs (OR = 1.04 95% CI 0.49–2.23, P = 1.00). An insignificant Q statistic (P = 1.00) indicated the absence of heterogeneity (I2 = 0%).
Antiphytopathogenic applications of Endophytic Fungus, Talaromyces purpureogenus J8, isolated from Woodfordia fruticosa
Authors: S. Nabanita Kumar , Sahai Devyani , Das Priti Padma , P. Lalitha
Published: September 2023

The apprehension surrounding the utilisation of pesticides and other chemical agents in agriculture has prompted a search for alternative, non-chemical methodologies for the management of diseases. Biological control agents are highly specialised and pose minimal risk to non-target species. The study involves the isolation of novel endophytic fungi Talaromyces purpureogenus J8 from Woodfordia fruticosa, a medicinal plant with multifarious applications. The culture was identified using ITS sequencing and phylogenetic analysis. The sequence was subsequently deposited into the NCBI database, resulting in the generation of an accession number (OP355300). The culture and the metabolites were evaluated for the potential of biocontrol against different plant pathogens using direct confrontation on solid media and the culture exhibited significant inhibition against Exserohilum turcicum, 84.3% direct confrontation and 78.36% more than the positive control in the case of metabolite. Phytochemical assays such as auxin estimates, total phenolics and flavonoids were carried out. J8 displayed antioxidant activity with an IC50 value of 65.36 μg/mL in the DPPH radical scavenging assay. Cultural conditions were optimised to enhance the production. GC-MS analysis was performed leading to the identification of many bioactive compounds responsible for antibiotic, antioxidant and anticancer properties.
Non-Steroidal Anti-Inflammatory Drugs (NSAIDS) as potential inhibitors of tankyrase-2 for colon cancer prevention: an in silico study
Authors: Rajeshwari K.V.N. , Srilatha B. , Srilekha Reddy V. , Shyam Prasad G.
Published: September 2023

Colon cancer is one of the most lethal and common cancers worldwide. The potential risk factor recognized for tumor development was chronic inflammation. Therefore, targeting inflammatory pathways and tankyrases which control Wnt pathway involved in cancer pathogenesis has proved effective in preventing the formation of colon cancer and its progression. Hence, in the present investigation, to find the potential anti-inflammatory drugs (NSAIDs) capable of inhibiting tankyrases, 12 NSAIDs were selected as ligands targeting the proteins tankyrases which play a major role in cancer progression. An advanced docking software Auto dock was selected for the study. Among the 12 anti-inflammatory drugs selected, mefanemic acid was found to be potential inhibitor of tankyrases followed by Indomethacin, Piroxicam, Ketorolac and Etoricoxib. Rest of the drugs under study showed moderate degree of inhibition. Least inhibition potential was recorded with diclofenac. Hence, from the above results, it is clear that Mefanemic acid, Indomethacin, Piroxicam, Ketorolac have the potential of preventing colon cancer by inhibiting tankyrases-2. However, further in vitro and in vivo investigations are required for confirmation.
Scrutinizing Caesalpinia bonducella phytoactive compounds as potent regulators targeting proteins of drug instigated apoptotic and inflammatory pathways: An in-silico approach
Authors: Sangeetha Nithiyanandam , Ramkumar Katturajan , Sabina Evan Prince
Published: September 2023

Drug-instigated toxicity is a leading source of organ injury due to apoptosis and inflammation. It is still a serious issue that demands the development of successful drugs to treat and prevent such organ damage. Herbal remedies are effective in the treatment of organ toxicity. Thus, the objective of this current study emphasizes scrutinizing interactions between phytoactive compounds of Caesalpinia bonducella seeds and targeted proteins of the apoptosis and inflammatory pathway. The SwitssADME online server was used to screen the pharmacokinetics and molecular properties of phytoactive compounds from Caesalpinia bonducella seeds. The PASS program was employed to assess phytoactive compounds' anti-apoptosis and anti-inflammatory activity. Using AutoDock Vina software, the ligands were docked onto targeted apoptotic and inflammatory proteins. The protein-ligand interaction was analyzed and visualized using Discovery studio software. The two most efficient regulators were glyceryl monostearate and 2-Palmitoylglycerol which interacted strongly with the binding sites of all the targeted proteins of apoptosis and inflammatory pathways. Glyceryl monostearate and 2-Palmitoylglycerol could be potential regulators for mitigating the inflammation and apoptosis instigated by therapeutical drug toxicity. They have the potency to be used as anti-apoptotic and anti-inflammatory agents and are intriguing research candidates for further research.
The role of Malassezia species on Human skin: Commensals and Pathogens
Authors: Balaji Vignesh Kanna , Ragunathan Latha , Kannaiyan Kavitha , Duraipandian Jeyakumari
Published: September 2023

Malassezia spp are recognized as skin commensals that may be pathogenic under certain conditions. For many years, it was known as commensals but recently it has been identified causing many superficial skin infections and fungemia. There are many hypotheses regarding the pathogenesis of Malassezia infections. As there is limited data on physiology and pathogenesis of Malassezia, therefore, in recent years new tools has been evolved for Malassezia culture, detection and genetic manipulation which have revealed the ubiquity of Malassezia on skin. As Malassezia cannot synthesize fatty acid, it secretes various enzyme such as lipase, phospholipase, protease and esterase to compensate it. These enzymes act as virulence factors for skin disorder caused by Malassezia. The mechanism behind the switching over of commensals to pathogen is unclear. The genetic and host susceptibility plays a vital role in commensalism and pathogenesis of Malassezia. This review article will discuss the pathogenesis and commensalism of Malassezia species in human skin.
Quinacrine – The Winding Road from the Most Important Antimalarial of Its Time to an Indispensable Antiparasitic (Orphan) Drug of our Days
Authors: Neumayr Andreas , Kuenzli Esther
Published: September 2023

Quinacrine, the main antimalarial drug during World War II, has had a chequered history that included the successful repurposing as an intrapleural sclerosant for the treatment of malignant pleural effusions, a non-surgical method of female sterilisation, and the use as an immunomodulatory drug in lupus erythematosus. While no longer used for these former indications, quinacrine (re)emerged as an indispensable second-line drug for the treatment of nitroimidazole-refractory Giardia duodenalis infections, and thus depicts an indispensable “orphan drug”.
Key Contributions by the Swiss Tropical and Public Health Institute Towards New and Better Drugs for Tropical Diseases
Authors: Mäser Pascal , Bernhard Sonja , Brun Reto , Burri Christian , Gagneux Sébastien , Hetzel Manuel W. , Kaiser Marcel , Lengeler Christian , Pluschke Gerd , Reus Elisabeth , Rottmann Matthias , Utzinger Jürg , Warryn Louisa , Wittlin Sergio , Keiser Jennifer
Published: September 2023

Thanks to its expertise in clinical research, epidemiology, infectious diseases, microbiology, parasitology, public health, translational research and tropical medicine, coupled with deeply rooted partnerships with institutions in low- and middle-income countries (LMICs), the Swiss Tropical and Public Health Institute (Swiss TPH) has been a key contributor in many drug research and development consortia involving academia, pharma and product development partnerships. Our know-how of the maintenance of parasites and their life-cycles in the laboratory, plus our strong ties to research centres and disease control programme managers in LMICs with access to field sites and laboratories, have enabled systems for drug efficacy testing in vitro and in vivo, clinical research, and modelling to support the experimental approaches. Thus, Swiss TPH has made fundamental contributions towards the development of new drugs – and the better use of old drugs – for neglected tropical diseases and infectious diseases of poverty, such as Buruli ulcer, Chagas disease, food-borne trematodiasis (e.g. clonorchiasis, fascioliasis and opisthorchiasis), human African trypanosomiasis, leishmaniasis, malaria, schistosomiasis, soil-transmitted helminthiasis and tuberculosis. In this article, we show case the success stories of molecules to which Swiss TPH has made a substantial contribution regarding their use as anti-infective compounds with the ultimate aim to improve people’s health and well-being.
Anna K. H. Hirsch: Drug Design and Optimisation to Disarm Dangerous Germs
Authors: Meier Lukas
Published: September 2023

Anna K. H. Hirsch, Professor and Head of the Department of Drug Design and Optimisation at the Helmholtz Institute for Pharmaceutical Research in Saarbrücken (HIPS), Germany, is dedicated to fighting infectious diseases by focussing on enzymes that are central to the metabolism of parasites. Her research has led to a valuable collaboration with the Swiss Tropical and Public Health Institute (Swiss TPH).
Basel: A Hotspot for Drug Discovery and Development Against Poverty-Related Diseases
Authors: Meier Lukas
Published: September 2023

In discussion with Lukas Meier from the Swiss Tropical and Public Health Institute (Swiss TPH), Lutz Hegemann, Head of Novartis Global Health and Sustainability and Marcel Tanner, President of the Swiss Academies of Arts and Sciences, give their opinions on the changes that occurred in drug discovery and development for poverty-related diseases over the past 30 years. They emphasise the power of public–private partnerships and provide their points of views on what needs to be done in the future to ensure that the poorest of the poor also have access to important therapies
How Technical Innovations May Help to Prevent Drug Shortages in Switzerland
Authors: Gygax Daniel , Eigenmann Kaspar , Suter Christian , Hürzeler Marianne , Mahmoud Ahmed , Mosbacher Johannes , Pöllinger Norbert
Published: September 2023

In this work, we investigated the technical feasibility of 'on-demand' production of selected drugs to cover their demand for a time window of 90 days. We focused on two sub-processes 'automated chemical synthesis' and 'formulation in micropellets'  to enable personalized dosing. The production of drugs 'on-demand' is challenging, important, but also attractive. Switzerland could thus gain access to an additional instrument for increasing resilience for supply-critical drugs. The biggest challenge in the case study presented here is the scalability of automated chemical synthesis and the application range of micropellet formulations.
The Growing Problem of the Spruce Bark Beetle
Authors: Housecroft Catherine E.
Published: September 2023

The European spruce bark beetles release aggregation pheromones to trigger attack on Norway spruce trees; attracting beetles through the use of pheromone traps proves less effective than conventional forest management.
Machine Learning Models for Melting Point Prediction of Ionic Liquids: CatBoost Approach
Authors: Yerly Florence , Blaise Mathias , Barras Simon
Published: September 2023

Using ionic liquids as phase changing materials is of particular interest in the context of heat storage. As a consequence, predicting accurately the melting point of ionic liquids is of capital importance as it is one of the most important thermophysical properties in this context. In this work we consider a data set composed of 2249 different ionic liquids, with a majority of imidazole or ammonium cation-based molecules. We present a free and easy-to-use melting point predictive algorithm built on the CatBoost algorithm, making strong use of molecular descriptors. Based on LASSO, we select the most relevant descriptors for the task at hand and compare the model with previous ones.
KEBIJAKAN KRIMINAL DALAM MENGHADAPI PERKEMBANGAN KEJAHATAN CYBER ADULTERY
Authors: Swardhana Gde Made
Published: September 2023

Cyber crime is one of the new forms or dimensions of today's crimes gaining wide attention in the international world. One of the most disturbing issues and received the attention of various circles is the problem of cyber crime in the field of decency which became known as adultery cyber. The story of cyber adultery is essentially no different from evil / morality in the end, such as adultery. Cyber adultery / cyber sex can be seen as virtual gratification associated with sexual expression, and a new form of intimacy (a new kind of intimacy). Such intimacy or intimacy can also mean sexual intercourse or adultery. This means cyber sex is a new form of adultery. To overcome thisproblem, honesty is needed in the effort to overcome crime which is essentially an integral part of social defense and community prosperity.
PENYELESAIAN SENGKETA INVESTASI MELALUI INTERNATIONAL CENTRE FOR SETTLEMENT OF INVESTMENT DISPUTE (Studi Kasus Pemerintah Indonesia vs Churchill Mining)
Authors: Geraldi Aldo Rico
Published: September 2023

This research aims to determine International Centre For Settlement of Investment Dispute (ICSID), benefits and losses for Indonesia related with Choice of Option on Indonesian investment dispute settlement with Churchill Mining Plc in ICSID. This research uses normative legal research by gathering secondary data. Data collected is using the methods of literary study by collecting legal material and information in the form of legal materials of primary sources, secondary sources, and tertiary sources. In order to get a clear explanation, the data will arrange systematically and analyzed with descriptive methods. These results indicate that the disputes settlement between Indonesian Government against Churchill Mining through ICSID has several benefits, such as the confidentiality of the proceedings, the freedom to choose the arbitrator, the decision of the ICSID which are final and binding, and if the arbitration decision can be implemented in Indonesia it is necessary to obtain Exequatur of the Supreme Court. Although it has some benefits, however there are also some of the losses suffered by Indonesian Government, such as substantial costs to finance the proceedings at ICSID and if Indonesia was lost, it can cause financial loss with very large impact to country around trillions to pay compensation or indemnity.
HAM, ISLAM DAN KONSTITUSI: MENGKAJI NILAI-NILAI HAK ASASI MANUSIA ISLAM DALAM UUD 1945
Authors: Basuki Udiyo
Published: September 2023

The regulation of human rights in the Indonesian constitution, the 1945 Constitution can be interpreted as an effort of citizens to guarantee their protection in the law, so that the constitution can serve as a legal instrument to warn the government not to violate the human rights that have been imposed in the constitution. It is recognized that the protection of human rights is a requirement of the state law, which has been pinned on the Republic of Indonesia. then the protection. Concepts, thoughts and ideas about human rights in Indonesia's constitution have been the pros and cons since the beginning of independence. Certain community groups consider that the human rights contained in the Indonesian constitution are a Western human rights concept that must be rejected because they contain individualistic values and are far from local, religious, especially Islamic values. If more closely scrutinized human rights arrangements in the Indonesian constitution contain Islamic values, characterized by justice, usefulness and public interest; the values contained in the holy book of the Qur'an and the Medina Charter are also recognized as the world's human rights charter. This human rights regulation is closely related to the objectives of Islamic law, namely "maqashid shari'ah" whose existence to protect the five things of religion, soul, mind, descent and property.
PENERAPAN AZAS OPORTUNITAS BERHUBUNGAN DENGAN TUGAS DAN WEWENANG KEJAKSAAN DALAM SISTEM PERADILAN PIDANA (KAJIAN PERKARA TERHADAP TERDAKWA NOVEL BIN SALIM BASWEDAN)
Authors: Napitupulu Tumpal
Published: September 2023

The public prosecutor is not required to prosecute a person committing an offense if at his discretion, if the person prosecuted can harm the public interest. No prosecution of a person committing a crime in the public interest, known as deponering whose authority resides with the Attorney General under Article 35 Sub-Article c of Law Number 16 Year 2004 regarding the Attorney of the Republic of Indonesia. In addition to the authority of deponering, the Attorney General is also authorized to stop prosecution under Article 144 paragraph (1) of Law Number 8 Year 1981 regarding Criminal Procedure Law which is manifested in the form of Prosecution Cessation Decree (SKP2). Starting from the authority to stop prosecution owned by the Attorney there are problems, namely: (1). When the Attorney's Office actually stop prosecuting a case in the criminal justice system and is it appropriate that the Attorney's Office issued SKP2 in case the case has been registered in the district court? (2). How to overcome the problems that arise against the issuance of SKP2 by the Attorney in case the case has been registered in the district court. The study is directed to the SKP2 case study in the Novel Baswedan case. Based on the results of the study can be concluded: (1). The Attorney's Office issued SKP2 in the Novel Baswedan case with insufficient consideration of the evidence and the case was closed by law and the Public Prosecutor's Office did not properly issue SKP2 when the case was registered in the district court. (2). to solve the problems arising from SKP2 issued by the Attorney there has been a pre-trial decision stating SKP2 is not valid, it must be resolved through the criminal justice system to obtain legal certainty.
MODEL PENYELESAIAN CAROK BERDASARKAN CARA BERHUKUM ORANG MADURA
Authors: Budimansyah Budimansyah
Published: September 2023

Carok is a social reality for the Madurese whose existence is still recognized today. The essence of Carok is more closely related to Madurese cultural values, where Carok is based on the fact that the Madurese have experienced the so-called "Malo", this feeling is caused by the Madurese feeling that their self-esteem is being harassed so as to defend the abused self-esteem then the Madurese do Carok. Law enforcement on Carok can not only be done with a positivistic approach with the nature of rigidity and see that Carok is a black and white subject matter as set forth in the Criminal Code (Criminal Code), if Carok is solved only through criminal law mechanism then no wonder then when the Carok-Carok takes place, the way through the penal law can never touch the nature of Carok, why the Madurese do Carok, and what Carok means and the defense of self-esteem for the Madurese. This research is a normative legal research, the data source used in this study is in the form of secondary data, namely books, journals, legislation, documents and other writings relating to the problem being studied. This study aims to find the law in concreto that is an attempt to find out whether the law that is suitable to be implemented in reality is carried out or obeyed by the community in relation to the settlement of Carok, the data processing method is to use qualitative methods and data analysis is deductive. Based on the results of the study, it is known that the Carok settlement model is based on the way of judging Madurese is different from the settlement model provided by the law of the country where the way of judging Madurese is a cultural approach so that Carok as a problem that comes from culture can be resolved and muted, then the presence of criminal law as the last effort (ultimum remedium) is deemed necessary after it is first settled based on how to enact the Madurese.
Photoacoustic and Optical spectral transformations in Solid Lipid Nanoparticles labelled with increasing concentrations of Photoacoustic NIR BODIPY
Authors: Linger Clément , Maccini Giulia , Clavier Gilles , Méallet Rachel , Tsapis Nicolas , Gateau Jérôme
Published: September 2023

Solid lipid nanoparticles labelled with a photoacoustic BODIPY dye exhibit complex but continuous transformation for both optical and photoacoustic spectra as the BODIPY content increases. Gaussian decomposition of the spectra reveals the interplay between three optical absorption bands and unveils a band-dependent and concentration-dependant photoacoustic generation efficiency above 1.
Low viscosity, high concentration pyridinium anolytes for organic non-aqueous redox flow batteries
Authors: Samaroo Sharmila , Pattillo Annabelle , Servinski Dominik , Kruper William , Carter Davarius , Guarr Thomas , Hickey David
Published: September 2023

The ability to tune various physicochemical and electrochemical properties of redox-active organic molecules (ROMs) independently from one-another has been a long-standing goal of researchers attempting to design active materials for redox flow batteries (RFBs). While 2 increasing ROM solubility is essential for improving energy densities, power densities, and lowering costs of RFBs, the use of elevated ROM concentrations in an RFB often causes solution properties – such as viscosity and conductivity – to vary in unpredictable and impactful ways. At elevated concentration, strong electrostatic interactions between ROMs, solvent, and supporting electrolyte often result in high viscosity and low solution conductivity, both of which are deleterious to practical RFB operation. Recently, it has been demonstrated that a class of 2,6-dimethylpyridinium-derived ROMs can achieve a broad range of solubilities in acetonitrile by fine-tuning unique intermolecular CH-pi interactions, which disrupt electrostatic solute-solute interactions. Here, we evaluate the electrochemical characteristics for a library of 23 N-substituted 4-aryl-2,6-dimethylpyridinium ROMs and measure solution viscosities and conductivities at variable concentrations for three representative species in acetonitrile. We show that this class of 2,6-dimethylpyridinium ROMs demonstrate low reduction potentials and rapid diffusion coefficients at low concentrations, and we find that representative pyridinium ROMs exhibit low dynamic viscosities (~1 cP), and high conductivities (25.0 - 32.8 mS cm-1) at elevated concentrations in acetonitrile. Our results suggest that trends in solution viscosity may be a consequence of distinct intermolecular interactions prevalent among pyridinium molecules and these desirable qualities further establish pyridiniums as a promising anolyte for emerging grid-scale energy storage technologies.
Enhancing Molecular Energy Predictions with Physically Constrained Modifications to the Neural Network Potential
Authors: Fu Weiqiang , Mo Yujie , Xiao Yi , Liu Chang , Zhou Feng , Wang Yang , Zhou Jielong , Zhang Yingsheng
Published: September 2023

Exclusively prioritizing the precision of energy prediction frequently proves inadequate in satisfying multifaceted requirements. A heightened focus is warranted on assessing the rationality of potential energy curves predicted by machine learning-based force fields (MLFF), alongside evaluating the pragmatic utility of these MLFF. This study introduces SWANI, an optimized Neural Network Potential (NNP) stemming from the ANI framework. Through the incorporation of supplementary physical constraints, SWANI aligns more cohesively with chemical expectations, yielding rational potential energy profiles. It also exhibits superior predictive precision compared to the ANI model. Additionally, a comprehensive comparison is conducted between SWANI and a prominent Graph Neural Network (GNN)-based model. The findings indicate that SWANI outperforms the latter, particularly for molecules exceeding the dimensions of the training set. This outcome underscores SWANI's exceptional capacity for generalization and its proficiency in handling larger molecular systems.
Modular Preparation of Cationic Bipyridines and Azaarenes via C–H Activation
Authors: King Ryan , Yang Jenny
Published: September 2023

Bipyridines are ubiquitous in organic and inorganic chemistry because of their redox and photochemical properties and their utility as ligands to transition metals. Cationic substituents on bipyridines and azaarenes are valuable as powerful electron-withdrawing functionalities that also enhance solubility in polar solvents, but there are no general methods for direct functionalization. A versatile method for the preparation of trimethylammonium- and triarylphosphonium-substituted bipyridines and azaheterocycles is disclosed. This methodology showcases a C–H activation of pyridine N-oxides that enables a highly modular and scalable synthesis of a diverse array of cationically charged azaarenes. The addition of trimethylammonium functionalities on bipyridine derivatives resulted in more anodic reduction potentials (up to 700 mV) and increased electrochemical reversibility compared to the neutral unfunctionalized bipyridine. Additonally, metallation of 4-triphenylphosphinated biquinoline to make the corresponding Re(CO)3Cl complex resulted in reduction potentials 400 mV more anodic than the neutral derivative.
Assessment of Halogen Off-Center Point-Charge Models Using Explicit Solvent Simulations
Authors: Fortuna Andreia , Costa Paulo J.
Published: September 2023

Compounds containing halogens can form halogen bonds (XBs) with biological targets such as proteins and membranes due to their anisotropic electrostatic potential. To accurately describe this anisotropy, off-center point-charge (EP) models are commonly used in force field methods allowing the description of XBs at the molecular mechanics and molecular dynamics level. Various EP implementations have been documented in the literature and despite being efficient in reproducing protein-ligand geometries and sampling of XBs, it is unclear how well these EP models predict experimental properties such as hydration free energies (\dGhyd{}), which are often used to validate force field performance. In this work, we report the first assessment of three EP models using alchemical free energy calculations to predict \dGhyd{} values. We show that describing the halogen anisotropy using some EP models can lead to a slight improvement in the prediction of the \dGhyd{} when compared with the models without EP, especially for the chlorinated compounds, however, this improvement is not related to the establishment of XBs but is most likely due to the improvement of the sampling of hydrogen bonds (HBs). We also highlight the importance of the choice of the EP model, especially for the iodinated molecules since a slight tendency to improve the prediction is observed for compounds with a larger $\sigma$--hole but significantly worse results were obtained for compounds that are weaker XB donors.
Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters
Authors: Strieth-Kalthoff Felix , Hao Han , Rathore Vandana , Derasp Joshua , Gaudin Théophile , Angello Nicholas H. , Seifrid Martin , Trushina Ekaterina , Guy Mason , Liu Junliang , Tang Xun , Mamada Masashi , Wang Wesley , Tsagaantsooj Tuul , Lavigne Cyrille , Pollice Robert , Wu Tony C. , Hotta Kazuhiro , Bodo Leticia , Li Shangyu , Haddadnia Mohammad , Wolos Agnieszka , Roszak Rafal , Ser Cher-Tian , Bozal-Ginesta Carlota , Hickman Riley J. , Vestfrid Jenya , Aguilar-Gránda Andrés , Klimareva Elena L. , Sigerson Ralph C. , Hou Wenduan , Gahler Daniel , Lach Slawomir , Warzybok Adrian , Borodin Oleg , Rohrbach Simon , Sanchez-Lengeling Benjamin , Adachi Chihaya , Grzybowski Bartosz A. , Cronin Leroy , Hein Jason E. , Burke Martin D. , Aspuru-Guzik Alán
Published: September 2023

Contemporary materials discovery requires intricate sequences of synthesis, formulation and characterization that often span multiple locations with specialized expertise or instrumentation. To accelerate these workflows, we present a cloud-based strategy that enables delocalized and asynchronous design–make–test–analyze cycles. We showcase this approach through the exploration of molecular gain materials for organic solid-state lasers as a frontier application in molecular optoelectronics. Distributed robotic synthesis and in-line property characterization, orchestrated by a cloud-based AI experiment planner, resulted in the discovery of 21 new state-of-the-art materials. Automated gram-scale synthesis ultimately allowed for the verification of best-in-class stimulated emission in a thin-film device. Demonstrating the asynchronous integration of five laboratories across the globe, this workflow provides a blueprint for delocalizing – and democratizing – scientific discovery.