bluuebunny/crossref_metadata_2025 huggingface dataset:
Artificial intelligence: risks and perspectives of culture
Authors:   Saratov State University, Saratov, Russia, Zamchalova I. Yu.
Published: October 2023

The article presents an analysis of the concept of “artificial intelligence” (AI) in its relationship with socio-cultural prerequisites. Having arisen at a certain stage in the development of technological culture, AI breaks out into the sphere of independent existence, representing both a progressive form and a threat to human existence. Threats to cultural identity arise, interethnic and intercultural ties are weakened; a person is deprived of cultural and historical memory, is torn off from national roots and traditions. AI covers a significant landscape of human skills, being implemented in management, investment activities, and programming. It is an intermediary in social interaction, is present in science, translation, fine arts, theorem proving, recognizes speech and images. However, artificial intelligence does not invade the sphere of emotions, empathy, understanding of art and culture; it is an exclusively human sphere, which is deformed in the context of globalization. The relevance of the study is due to the search for harmonious links between the “superreality” and man, his creative thinking and freedom of self-realization. The novelty lies in the emphasis on changes in the methodology of scientific research: natural science, humanitarian and engineering knowledge, merging, form a new sphere of knowledge. In it, ethical and cultural principles are assumed to be fundamental. The factors of culture transformation at the stage of the information society are identified: ideas about the threats of AI in the public mind; the emergence of “roboethics” norms, security strategies from the field of artificial intelligence; the transformation of society into a communicative one. The purpose of the study: to consider the complex of consequences of the introduction of AI into the space of human existence, to identify the threats and risks arising from its possible total spread. Using the axiological approach, semiotic analysis, a change in the sign-symbolic system, and then the meanings and values of culture, was revealed. The author comes to the conclusion that artificial intelligence is a reality that is visible and understandable to mankind. It is able to mimic human cognitive abilities. Facilitating and improving human life, this phenomenon can become a tool for manipulating people’s consciousness. It is shown that the philosophical and anthropological approach makes it possible to comprehend the problem of artificial intelligence included in the field of a holistic view of the relationship between the spiritual essence of man and the world. It is concluded that AI should be controlled by the joint efforts of the scientific community. The quantitative growth of communications does not lead to a close emotional connection, there is a depersonalization of contacts, a passion for self-presentation. The problem of personal identity remains open, the solution of which we see in the appeal to traditional value orientations based on the spiritual content of culture.
INNOVATIVE DESIGN OF RURAL AREAS IN THE CONTEXT OF THE IMPLEMENTATION OF THE NATIONAL PROJECT «TOURISM AND HOSPITALITY INDUSTRY»
Authors:   Vologda State University, Vologda, Russia, Orlova V. S.
Published: October 2023

The purpose of the study is to develop a project approach to the development of rural tourist areas based on innovations. The main methods: a systematic approach to research and a project approach to the development of tourist areas, economic and statistical methods, sociological survey, expert assessment, data visualization and other methods of analysis and synthesis. The study was carried out on the materials of the rural settlement Zarechnoye of the Veliky Ustyug municipal district of the Vologda region. Results: the socio-economic situation of the settlement was determined, a sociological survey of the population and an assessment of the tourist potential of the territory according to such criteria as: the image of the tourist center, the development of tourist infrastructure, transport accessibility and environmental favorability of the territory, comfort and safety of the tourist; the competitive advantages of the settlement as a promising tourist territory were revealed, including environmental favorability and a high level of natural potential, cultural heritage, traditions and folk crafts, as well as the close location of the center of the district – Veliky Ustyug, which attracts a significant tourist flow. A project approach to the development of rural tourist areas has been developed; the design of the tourist territory was carried out on the example of the rural settlement of Zarechnoye; a pool of projects has been formed, including innovative tourism projects. Scientific novelty: the originality of the approach developed by the author to the development of rural tourist areas is determined by the possibility of their integrated development through strategic planning and innovative design of tourist and recreational zones with the maximum implementation of their natural resources and cultural and historical heritage. The specialization of the recreational area involves a combination of outdoor activities with other types of tourist activities, including cultural and educational, ecological, hunting and fishing, event tourism. Practical significance: the proposed approach can be applied by regional and local authorities and administrations in order to develop territories based on innovations. Conclusion: The study allows us to argue that in modern conditions, the development of tourism in the provincial regions will be facilitated by a project approach. The design of tourist areas based on innovations will solve the problems of activating domestic tourism and its infrastructure support, determined by the national project «Tourism and Hospitality Industry».
Algılanan Hizmet Kalitesi ile Davranışsal Niyetler Arasında Müşteri Memnuniyetinin Aracı Etkisi: Medikal Turistler Üzerine Bir Araştırma
Authors: DİKİCİ Mehmet Selim , AKKILIÇ M.emin
Published: October 2023

Bu çalışmanın amacı, algılanan hizmet kalitesi ile davranışsal niyetler arasındaki ilişkide müşteri memnuniyetinin aracı etkisinin olup olmadığını tespit etmektir. Araştırma için gerek duyulan veriler, İstanbul iline medikal turizm kapsamında gelen turistler arasından, kolayda örnekleme yöntemi ile seçilen 432 kişiye yüz yüze anket uygulanarak elde edilmiştir. Araştırmada, verilerin analizi SPSS 20.0 Process Makro Uygulaması ve AMOS 24.0 paket programları ile yapılmıştır. Bu bağlamda, örnekleme ilişkin betimleyici istatistikler, doğrulayıcı faktör analizi, güvenilirlik ve geçerlilik analizleri gerçekleştirilmiştir. Son olarak, araştırma hipotezleri test edilerek bulgular değerlendirilmiştir. Araştırma sonucunda, algılanan hizmet kalitesinin tüm boyutları ile davranışsal niyetler arasındaki ilişkide müşteri memnuniyetinin aracı etkisinin olduğu tespit edilmiştir. Bu noktadan hareketle, medikal turistlerin algıladıkları hizmet kalitesinin yüksek olmasının müşteri memnuniyetinin artmasına neden olacağı ve buna paralel olarak memnun olan müşterilerin yeniden satın alma veya başkalarına önerme gibi davranışsal niyetlere yöneleceği yorumunda bulunulabilir.
Anahtar Kelimeler: Medikal turizm, hizmet kalitesi, müşteri memnuniyeti, davranışsal niyetler.
SCREENING OF BACTERIAL STRAINS IN RELATION TO THE LABORATORY POPULATION OF THE LARGE WAX MOTH GALLERIA MELLONELLA L. AND THE NATURAL POPULATION OF THE APPLE MOTH CYDIA POMONELLA L.
Authors:   Federal Research Center of Biological Plant Protection, Krasnodar , Gyrnets E.Yu. , Asaturova A.M.
Published: October 2023

Studies have been conducted to assess the insecticidal activity of bacterial strains from the of the bioresource collection of the Federal Research Center of Biological Plant Protection “State Collection of Entomoacariphages and Microorganisms”. The experiments were carried out under laboratory conditions in relation to a laboratory test object of the large wax moth Galleria mellonella L. and an economically significant phytophagus — the natural population of the apple fruit moth Cydia pomonella L.
USING FLOW CYTOMETRY TO ASSESS THE VIABILITY OF E. COLI CELLS DURING FERMENTATION
Authors:   Pharm-Holding, CJSC (Geropharm R&D Center), Saint Petersburg, Zenkova A.K. , Aquino A.D. , Bochkareva M.D. , Kornakov I.A. , Grechko D.A. , Popova A.S. , Voronkova K.A. , Khasanshina Z.R. ,   Almazov National Medical Research Centre, Saint Petersburg
Published: October 2023

The development of efficient cultivation condition is crucial for industrial production of recombinant proteins of therapeutic importance. The key response in optimizing culture conditions is to reduce the proportion of lyced cells and ALD cells. In this work, a flow cytometry method was developed to evaluate the E. coli cell cycle in real time during cultivation in bioreactors.
ARTIFICIAL VESICLES OBTAINED FROM T CELLS BY VARIOUS INDUCTION METHODS
Authors:   Institute of Fundamental Medicine and Biology, Kazan Federal University, Zmievskaya E.A. , Mukhametshin S.A. , Siraeva E.T. , Kutyreva M.P. , Khannanov A.A. , Bulatov E.R. ,   Alexander Butlerov Institute of Chemistry, Kazan Federal University
Published: October 2023

Cellular therapy is a promising branch of biomedicine. Problems with the effectiveness and safety of these therapy can be solved by using extracellular vesicles (EV) as a cell-free modality. One of the main obstacles for technology is low yield. In a study, we tested cytochalasin B as a chemical inducer and ultrasound as a physical inducer of artificial vesicles (AVs) from primary T cells and the SupT1 cell line.
Multicultural Classrooms in European Higher Education: Findings from Interviews with International Students and Teaching Staff
Authors: BAKAY Mehmet Emin
Published: October 2023

The research, prepared for the Multicultural Classrooms: Inclusive Learning and Teaching in Higher Education Erasmus+ project, endeavours to assess the current state of multicultural classrooms in Europe through interviews conducted with lecturers and students at partner universities (Türkiye, Belgium, Romania, Bulgaria, Czech Republic, and Spain).

The research evaluates instructional systems designed to equip faculty members with the competence to manage heterogeneous and culturally diverse classroom environments. Additionally, the report seeks to identify avenues for embedding multiculturalism within European higher education. The methodological approach involves a literature review on multicultural classrooms, and the report accentuates the need to extend discussions on multicultural classrooms to the higher education context. The report presents findings from interviews with international students and teaching staff, summarising emergent themes derived from content analysis. These findings aim to enhance comprehension of multicultural classrooms in Europe and inform strategies to promote diversity and multiculturalism in European higher education institutions.

The report underscores shared themes and fundamental aspects of higher education internationalisation within multicultural classrooms. The importance of language proficiency in English as a determinant of successful internationalisation is consistently recognised. Cultural diversity is celebrated as a valued ethos across all countries, with exposure to diverse cultures and perspectives deemed intrinsic to studying abroad. Institutional support for international students is highlighted, emphasising the need for robust orientation programs and support mechanisms.

Challenges tied to cultural differences and language barriers are acknowledged universally, underscoring the significance of fostering cultural sensitivity and intercultural communication skills. Inclusive academic environments for international students are prioritised, where lecturers strive to establish settings fostering open dialogues and intercultural competence. The report emphasises the significance of training and professional development for lecturers in multicultural classrooms, including recommendations for observation periods abroad and exchange programs to promote inclusive practices.

Based on an exhaustive analysis of national reports, the international report culminates in a compilation of recommended training courses crucial for enhancing the effectiveness of multicultural classrooms. Collectively, these findings underline a shared commitment to inclusive and supportive environments for international students across the featured countries. The insights gleaned hold value in shaping higher education internationalisation within and beyond Europe, acknowledging the significance of global interconnectedness and diversity in contemporary education.
Organização de fluxo de desospitalização para a criança com necessidades especiais: estudo de validação
Authors: Toscan Vanessa Rossetto , Toso Beatriz Rosana Gonçalves Oliveira , Rodrigues Rosa Maria , Marcheti Maria Angélica
Published: October 2023

Objetivo: Realizar validação de conteúdo e constructo de protocolo de organização de fluxo de cuidado domiciliar à criança com necessidades especiais de saúde. Métodos: Pesquisa metodológica para validação de instrumento de organização de fluxo, por comitê constituído de oito juízes, utilizando-se a técnica Delphi. Os dados foram coletados por formulário on-line em 2020. Foi feita análise estatística do índice de validade de conteúdo, do coeficiente Kappa e da confiabilidade pelo alfa de Cronbach. Resultados: Na primeira avaliação do instrumento, 24 (77%) dos 31 itens obtiveram 80% de concordância. Após ajustes indicados pelos juízes, na segunda rodada, oito dos 11 itens com concordância baixa anterior apresentaram índice de validade de conteúdo de 100% e três de 83,3%. O alfa de Cronbach foi 0,789, sendo considerado substancial, e o coeficiente Kappa foi 83,64%, sendo classificado como excelente.Conclusão: O protocolo foi considerado validado e pode ser utilizado para uniformização da transição das crianças com necessidades especiais de saúde para a atenção domiciliar.
Edible Microparticles: A Revolutionary Solution to Global Vitamin A Deficiency
Authors: Tang Wen , Jaklenec Ana , MacDonald Sydney
Published: October 2023

Vitamin A deficiency impacts millions globally. Directly adding it to foods is problematic due to its sensitivity to light and heat. We've created an edible microparticle ensuring safe vitamin A delivery. These microparticles are stable and offer high absorption rates, presenting a groundbreaking solution to combat vitamin A deficiency and degradation globally.
Pression anthropique et dynamique de l’occupation du sol autour du corridor n°1 du complexe écologique Pô-Nazinga-Sissili au Burkina Faso
Authors: Sama André , Ramdé Zonata , Ouédraogo Pingdewendé Carine , Sikuzani Yannick Useni , Salomon Waselin , Dipama Jean-Marie , Bogaert Jan
Published: October 2023

Au Burkina Faso, au sein du complexe écologique Pô-Nazinga-Sissili, dénommé PONASI dans le centre-sud du pays, la croissance démographique rapide entraine des changements de l’occupation du sol généralement non planifiés, mais fréquents. La présente étude apprécie la dynamique paysagère autour du corridor n°1 du complexe écologique PONASI à partir du traitement des images Landsat de 1996, 2006, 2016 et 2020, complété par les outils d’analyse de l’écologie du paysage. Les résultats révèlent qu’en 24 ans (de 1996 à 2020), les superficies des pâturages, des forêts galeries et des jachères ont régressé respectivement de 50 %, de 40 % et de 98 % à travers les processus de fragmentation et de suppression. Inversement, les champs se sont étendus dans le paysage, leur surface étant multiplié par 11, conséquence d’une création et d’une agrégation des tâches. La dynamique paysagère est ainsi matérialisée par le remplacement des pâturages, matrice du paysage jusqu’en 2006, par les champs qui ont constitué la nouvelle matrice du paysage à partir de 2016. Par conséquent, l’anthropisation du paysage induite par le développement agricole est illustrée par le niveau de perturbation du paysage qui est passé de 0,30 à 1,83, conséquence d’une absence des mesures d’accompagnement des plans d’aménagement du territoire dans un contexte de croissance démographique rapide. Nos observations impliquent le besoin de développement d'une politique de gestion participative des ressources naturelles en tenant compte du contexte socio-économique de la zone d’étude.
Analisis Daya Dukung Lingkungan Lahan Pertanian Tanaman Pangan Kabupaten Kubu Raya, Provinsi Kalimantan Barat
Authors: Irsan Robby , Fitrianingsih Yulisa
Published: October 2023

Analisis daya dukung lahan pertanian tanaman pangan sangat penting dilakukan untuk mengetahui sejauh mana kemampuan lahan pertanian dalam mendukung pemenuhan kebutuhan pangan penduduk di suatu daerah. Penelitian ini dilakukan untuk mengetahui nilai daya dukung lahan pertanian pangan di Kabupaten Kubu Raya dan berguna dalam perencanaan pembangunan serta memberikan gambaran mengenai hubungan antara penduduk, penggunaan lahan, dan lingkungan. Mengetahui daya dukung  dari suatu lahan berfungsi untuk memberikan gambaran berbagai kemungkinan yang dapat terjadi atau memperkirakan tingkat kebutuhan penduduk yang disesuaikan dengan kondisi lahan yang ada. Penelitian ini dilakukan untuk mengetahui nilai daya dukung lahan pertanian pangan di wilayah Kabupaten Kubu Raya sehingga nantinya bermanfaat dalam penyelesaian masalah rendahnya daya dukung lahan pertanian tanaman pangan. Untuk menentukan daya dukung lahan pertanian tanaman pangan perlu mempertimbangkan beberapa parameter seperti jumlah penduduk, luas lahan panen, dan hasil panen atau hasil produksi lahan pertanian per hektar per tahun. Data sekunder didapatkan dari dinas terkait seperti luas panen tanaman per kapita, luas lahan untuk swasembada pangan, daya dukung lahan, proyeksi jumlah penduduk, kebutuhan pangan beras per kapita, produksi lahan rata-rata per hektar. Hasil Penelitian ini berupa tingkat daya dukung lahan, jumlah penduduk optimal dan proyeksi kebutuhan lahan pertanian.
Identifikasi Penerapan K3 (Keselamatan dan Kesehatan Kerja) Pada Area Gudang Handak di PT. Hansindo Mineral Persada Kecamatan Sungai Pinyuh Kabupaten Mempawah Kalimantan Barat.
Authors: Zulkifli Zulkifli , Mukhtar Wahdaniah , Aprillia Ricka
Published: October 2023

PT. Hansindo Mineral Persada merupakan industri yang bergerak di bidang penambangan batu granit di Desa Peniraman Kabupaten Mempawah. Terdapat beberapa  masalah terkait K3 pada area gudang handak yaitu para pekerja tidak menggunakan APD yang sudah disiapkan perusahaan saat memasukan dan mengeluarkan bahan peledak, jalan menuju gudang handak terlalu terjal lebih dari 12%, pohon disekitar gudang handak terlalu tinggi ± 20 meter, dan tidak adanya Standard Operasional Prosedure (SOP) K3 gudang handak. Penelitian ini bertujuan untuk menganalisis penerapan keselamatan dan kesehatan kerja guna mengetahui bahaya dan risiko pada area gudang handak menggunakan metode observasi dan wawancara kepada para pekerja. Identifikasi bahaya dan risiko menggunakan tabel HIRA, kemudian dianalisis dengan metode analisis semi kuantitatif untuk mengetahui tingkat risiko yang terjadi pada area gudang handak. Hasil penelitian menunjukan bahwa terdapat 9 sumber bahaya pada area gudang handak yang mungkin dapat terjadi sewaktu-waktu. Sehingga dapat diketahui tingkat risiko dari 9 sumber bahaya adalah substantial (13%), priority 3 (54%), dan acceptable (33%). Sedangkan untuk rekomendasi pengendalian dari peneliti yakni eliminasi (1), substitusi (1), rekayasa teknis (2), administrasi (6) dan alat pelindung diri (6). PT. Hansindo Mineral Persada is a industry engaged in granite mining in peniraman village, Mempawah regency.There are several problems related to OHS in the explosives warehouse area, namely workers do not use personal protective equipment that has been prepared by the company when entering and removing explosives, the road to the explosives warehouse is too steep more than 12%, the trees around the explosives warehouse are too high ± 20 metres, and there is no Stadard Operating Procedure (SOP) OHS of the explosives warehouse. This study aims to analyse the application of occupational safety and health to determine the hazard and risk in the explosives warehouse area using observation methods and interview with workers. Hazard and risk identification using the HIRA table, then analysed with a semi-quantitative analysis method to determine the level of risk that occurs in the explosives warehouse area. The result showed that there are 9 sources of danger in the explosives warehouse area that may occur at any time. So it can be known than the risk level of 9 sources of danger is substantial (13%), priority 3 (54%), and acceptable (33%). As for control recommendations from researchers, namely elimination (1), substitution (1), technical engineering (2), administration (6) and personal protective equipment (6).
Strategi Penurunan Non Revenue Water (NRW) melalui Analisis Neraca Air dan Indikator Kinerja NRW pada Jaringan Distribusi SPAM Cabang Karawang
Authors: Zafira Athaya Dhiya , Nurhayati Ervin , Novianus R.P Gabriel
Published: October 2023

Perumdam Tirta Tarum as a BUMD with healthy performance and has FCR (Full Cost Recovery), but the NRW (Non Revenue Water) score is still quite high at 32.16%. The Karawang branch is the largest contributor to the volume of water loss, around 33% of the total water loss in 19 Branches/IKK units in other service areas. This study uses water balance analysis methods and NRW performance indicators to formulate recommendations for NRW reduction programs. Annual water loss during the period April 2022 to March 2023 was 23.96% with a loss volume of 2,343,756m3/12 months. The percentage of physical water loss is 18.49% and non-physical water loss is 5.47%. When converted to cost values, the annual loss of non-physical water is Rp.2,610,791,315.- and the annual loss of physical water is Rp.8,640,197,936.-. Physical loss is classified as category C performance (severe leakage) and the overall ATR performance indicator is classified as category C (poor ATR condition). Recommendations or strategies for handling NRW efficiently at study locations can be formulated after understanding the causes of NRW and the most influencing component factors.
Cover
Authors: Engineering Environmental
Published: October 2023

Cover Edisi Oktober 2023
Multi-eGO: model improvements towards the study of complex self-assembly processes
Authors: Bacic Toplek Fran , Scalone Emanuele , Stegani Bruno , Paissoni Cristina , Capelli Riccardo , Camilloni Carlo
Published: October 2023

Structure-based models have been instrumental in simulating protein folding and suggesting hypotheses about the mechanisms involved. Nowadays, at least for fast folding proteins, folding can be simulated in explicit solvent using classical molecular dynamics. However, other self-assembly processes, such as protein aggregation, are still far from being accessible. Recently, we proposed that a hybrid multi-state structure-based model, multi-eGO, could help to bridge the gap towards the simulation of out-of-equilibrium, concentration-dependent self-assembly processes. Here, we further improve the model and show how multi-eGO can effectively and accurately learn the conformational ensemble of the Amyloid β42 intrinsically disordered peptide, reproduce the well-established folding mechanism of the B1 immunoglobulin-binding domain of streptococcal protein G, and reproduce the aggregation as a function of the concentration of the Transthyretin 105-115 amyloidogenic peptide. We envision that by learning from the dynamics of a few minima, multi-eGO can become a platform for simulating processes inaccessible to other simulation techniques.
Vibrational transitions of H2Cl+: potential energy surface and anharmonic computations
Authors: Afansounoudji Kokou M. Robert , Issa Rabiou , Sodoga Komi , Lauvergnat David
Published: October 2023

A new three-dimensional potential energy surface of the electronic ground state of the chloronium ion, H2Cl+, based on the explicitly correlated coupled cluster method with a triple zeta basis set adapted to this method has been expanded in an analytical representation. This potential energy surface is later incorporated into our home-made Fortran code to compute variationally the vibrational levels, zero-point ground average structural parameters and the rotational constants of the chloronium ion and several isotopologues. Our results show a good agreement with experimental data and that our results will help to detect H2Cl+ isotopologues in the interstellar medium.
Divergence between local structure, dynamics and nucleation outcome in heterogeneous nucleation of close-packed crystals
Authors: Domingues Tiago , Hussain Sarwar , Haji-Akbari Amir
Published: October 2023

Heterogeneous crystal nucleation is the dominant mechanism of crystallization in most systems, yet its underlying physics remains an enigma. While emergent interfacial crystalline order precedes heterogeneous nucleation, its importance in the nucleation mechanism is unclear. Here, we use molecular dynamics simulations and path sampling techniques to demonstrate that crystalline order in its traditional sense is not predictive of the outcome of heterogeneous nucleation of close-packed crystals. Consequently, structure-based collective variables (CVs) that reliably describe homogeneous nucleation can be poor descriptors of heterogeneous nucleation. This divergence between structure and nucleation outcome is accompanied by an intriguing dynamical anomaly wherein low- coordinated crystalline particles outpace their liquid-like counterparts. Both these anomalies are morphologically associated with low-coordinated crystalline particles participating in bridges connecting crystalline domains. We also demonstrate that reliance on ineffective CVs yields a flawed comprehension of the nucleation mechanism by overestimating the face-centered cubic (FCC) content of crystalline nuclei in the systems and surfaces considered here. We use committor analysis, high-throughput screening, and machine learning to devise CV optimization strategies, and present suitable structural heuristics within the metastable fluid for CV pre-screening. Employing such optimized CVs is pivotal in properly characterizing the mechanism of heterogeneous nucleation in a wide variety of systems, including inorganic, metallic and colloidal systems.
To flame-seal or not to the NMR tubes: The role of liquid-vapor equilibria on the accuracy of variable temperature experiments.
Authors: Morrelli Derek , Maitra santanu , Krishnan Krish
Published: October 2023

In NMR experiments, it is crucial to control the temperature of the sample, especially when measuring kinetic parameters. Usually, it takes two to five minutes for the temperature of the sample inside the NMR probe to stabilize at a fixed value set for the experiment. However, in some cases, the NMR sample tubes are flame-sealed, such as when working with volatile solvents, atmosphere-sensitive samples, or calibration samples for long-term use. When these samples are placed inside the NMR probe, the spectrometer controls the lower portion (liquid phase) of the NMR sample tube with a gas flow at a fixed temperature, while the upper portion (vapor) is at ambient temperature. This probe design creates a unique temperature gradient across the sample, leading to vapor pressure build-up, particularly inside a sealed NMR tube. By analyzing the temperature-dependent line shape changes of a chemical exchange process, we report that under standard experimental conditions, the sample temperature can take up to two to three hours (instead of minutes) to stabilize. The time scale of the liquid-vapor equilibrium process is much slower, with a half-life exceeding 35 minutes, in contrast to the two-minute duration required to obtain each spectrum. As a result, each spectrum represents the time-averaged status of the double bond rotation observable from the liquid phase of the sample. This phenomenon is exclusively due to the liquid-vapor equilibrium process of the flame-sealed NMR tube and is not observable otherwise.
Computer Aided Recipe Design: Optimization of Polydisperse Chemical Mixtures using Molecular Descriptors
Authors: Massolle Anja , Schneider Jakob , Meyer Jan , Loschen Christoph
Published: October 2023

A workflow has been developed allowing for the computer aided design and optimization of reactive systems using the concept of molecular descriptor-based similarity. Unlike single-molecule models most often used in polymer informatics, an important feature of this approach is to allow for a more realistic description of reaction mixtures by accounting for polydispersity and individual chain topology. Starting from a specific set of ingredients, i.e., a chemical recipe or formulation, simulations based on Gillespie’s kinetic Monte Carlo scheme are used to generate oligo- and polymeric reaction mixtures. By using the distance / similarity in molecular and topological descriptor space as a metric, the initial recipe is then modified iteratively using a Bayesian optimizer. Target of the optimization procedure is either another chemical recipe with different ingredients or alternatively, a set of desirable descriptors and properties. A key step of the process is the transformation of the graph representing individual polymer species as obtained by the kinetic simulation into atomistic species described as SMILES strings, which enables the computation of a rich set of additional descriptors. This rather general mapping is achieved exploiting similarities between the BNGL and the SMILES notation. The workflow is demonstrated on common polyether and polyester oligomeric systems as typically used in polymer industry, but is generally applicable to other polymer chemistries.
Supported Erythrocyte Membranes on Piezoelectric Sensors for Studying the Interactions with Nanoparticles
Authors: Islam Tanaz , Chesnokov Olga N. , Oleinikov Andrew V. , Yi Peng
Published: October 2023

Applications of nanoparticles (NPs) in nanodrugs, food additives, and cosmetics can result in the presence of nanomaterials in human circulatory system and their attachment to red blood cells (RBCs), which may lead to cytotoxic effects. To investigate the interactions of NPs with RBC membranes (RBCm), supported erythrocyte membranes (SRBCm) were developed on the piezoelectric sensors in a quartz crystal microbalance with dissipation (QCM-D) at 25 °C. A well dispersed RBCm suspension at 1 mM NaCl and 0.2 mM NaHCO3 was obtained from whole blood, and comprised of colloidal membrane fragments with the average hydrodynamic diameter and zeta potential as 390 nm and -0.53 mV, respectively, at pH 7.0. The thin and rigid SRBCm was formed mainly through the deposition of RBCm fragments on the poly-L-lysine modified crystal sensor, leading to the average frequency shift of -26.2 Hz and the low ratio of dissipation to frequency shift (7.2 × 10-8 Hz-1). The complete coverage of SRBCm was indicated by the plateau of frequency shift in the stage of SRBCm formation and no deposition of negatively charged 106 nm polystyrene nanoparticles (PSNPs) on the SRBCm. Atomic force microscopy and immunofluorescence microscopy images showed that RBCm aggregates with the average size of 420 nm and erythrocyte membrane proteins existed on SRBCm, respectively. The methods of determining attachment efficiencies of model positively charged NPs (i.e., hematite NPs or HemNPs) and model negatively charged NPs (i.e., PSNPs) on SRBCm were demonstrated in 1 mM NaCl solution at pH 5.1 and pH 7.0, respectively. HemNPs exhibited a favorable deposition with an attachment efficiency of 0.99 while PSNPs did not show any attachment propensity toward SRBCm.
Molecular Exchange in Lipid Nanoparticles via Time-Resolved Small Angle Neutron Scattering
Authors: Hilburg Shayna , Sokolova Anna , Cagnes Marina , Pozzo Lilo D.
Published: October 2023

The nano-scale dynamics of lipid nanoparticles (LNPs) for drug delivery play a large role in their function. Limited molecular motion is important for avoiding degradation prior to entering cells. Intracellularly, enhanced molecular motion is then vital for effective endosomal escape. We experimentally quantify such nano-scale dynamics through time-resolved small-angle neutron scattering (TR-SANS). This technique, previously leveraged only for simpler self-assembled systems, provides unprecedented insight to molecular behavior of LNPs. We find using TR-SANS in combination with traditional SANS and small-angle x-ray scattering (SAXS) that as pH drops below the pKa of the ionizable lipid, internal structure becomes more disordered and molecular exchange of cholesterol between LNPs occurs at a much faster rate. The results give insight into the behavior enabling delivery and provide a quantifiable metric by which to compare formulations. Successful analysis of this multi-component system also expands the opportunities for using TR-SANS to characterize other complex biomaterials.
Analytic Gradients for PR-MP2 (Scheme I)
Authors: Nishimoto Yoshio
Published: October 2023

Analytic gradients for the partially renormalized second-order Moller-Plesset perturbation theory (Scheme I) are derived using the Lagrangian method. This is just a technical document and is not intended for publication.
Examining Online Comments of Employee Through The Concept of External Whistleblowing: A Study on Restaurants
Authors: ÇETİNEL Makbule Hürmet , MAZAN İlknur , ÇATIR Ozan
Published: October 2023

The concept of whistleblowing is very important in revealing all illegal behaviors and negative actions in businesses. Those who disclose these events are called whistleblowers. Whistleblowing has become an increasingly important concept in recent years. The aim of this study is to determine the negative behaviors experienced in restaurant businesses, and to determine the attitudes and behaviors of employees and managers against these negative actions. In this context, this study used employee platform websites to examine employee feedback. The US-based company has had a platform where users can write reviews of companies and job opportunities since 2008. Employees can express their views and feedback about the organization on this platform. 1.250 restaurant reviews in English with searchable comments have been uploaded to the platform. These restaurants have been evaluated for unethical acts such as low pay and overtime, illegal negligence and policies, psychological violence, harassment and discrimination, workplace safety, mismanagement and theft. According to the results obtained, those working in restaurants are exposed to these whistleblowing categories. Employees mostly complain about poor management and lack of support from managers and therefore use external disclosure channels.
Examining Group Differences in Mathematics Achievement: Explanatory Item Response Model Application
Authors: KIZILKAYA Zeynep Zelal
Published: October 2023

Students take many different exams throughout their educational lives. In these exams, various individual and item characteristics can affect the responses of individuals to the items. In this study, it was aimed to examine the effects of person and item predictors on the mathematics common exam results of 365 9th grade students with explanatory item response models. Gender and school type as person variables and cognitive domain, content domain and booklet type as item variables were added to the models due to their widespread inclusion in the literature. When the predicted item parameters were examined, it was seen that the smallest parameter values were obtained for all items with the Rasch model. When the model data fit values of four different models were examined, it was concluded that the latent regression and latent regression linear logistic test models showed better fit than the Rasch model. By adding person and item predictors to the model, the parameters obtained for each variable group were compared, and differences were observed between the groups for school type, cognitive domain, and content domain variables. It was concluded that the item parameters did not differ for the variables of gender and booklet type. It is thought that it would be beneficial to use these models more widely in studies to be conducted in the field of education and psychology, since they provide more detailed information about the reasons for the differences in the estimated parameters.
Intercultural Competence, A Necessity in 21st Century Classrooms: Are Teacher Educators in Tanzania Interculturally Competent?
Authors: Kavenuke Patrick Severine , Kihwele Grace Ezekiel
Published: October 2023

Recently, teacher educators have been required to possess strong academic credentials and intercultural competencies to teach successfully. The purpose of the present study is to investigate the extent to which teacher educators possess the skills of intercultural competence. Also, the study examines the factors that influence the intercultural competence of teacher educators. A sample of 300 teacher educators selected from two Tanzanian university colleges is used. The results indicate that teacher educators had higher mean scores in the dimensions of attitude, external outcomes, internal outcomes, and skills but significantly lower mean scores in the dimension of knowledge. Furthermore, factors such as living abroad, duration of staying abroad, level of education, academics’ teaching experience, and the faculty from where the academics come are significantly related to at least one dimension of intercultural competence. For instance, academics’ level of education is significantly related to the attitude, knowledge, and skills dimensions of intercultural competence. Therefore, the results have far-reaching implications for policy and future research.
A Coachella Valley Region Geographic Landing Page and Dynamic Dashboard
Authors:   , Broz Tim
Published: October 2023

When a town or city’s economy is fully reliant on tourism, times of economic downturn can greatly affect the city as a whole through loss of business revenue. The Coachella Valley area of southern California exemplifies this problem, as the nine cities within the area are reliant on tourism as their source of income. The recent Covid-19 pandemic only highlighted what the area has been noticing for years, that they cannot rely on tourism alone. One solution to this problem is to try and entice both businesses and remote workers to move out to the valley and diversify the local economy. This will be achieved by creating a web portal for the valley, featuring multiple dashboards and web maps for the region. These web GIS will display positive qualities of the various towns in the area, such as economic and demographic, and can be displayed to prospective businesses and workers.
AN INSIGHT INTO VETERINARY STUDENTS’ PERCEPTIONS ON THE USE OF 3D-PRINTED BONE BIOMODELS IN ANATOMY LEARNING
Authors: Koçyiğit * Alper , Ari Hasan Huseyin , Uslu Baris Atalay
Published: October 2023

Today, conventional teaching methods are losing their effectiveness at transferring knowledge and skills, prompting the presentation of alternative strategies that hold more promise. One of the innovative alternative education materials in veterinary anatomy education is the models produced on three-dimensional (3D) printers. The subject of this study is 4 different bone biomodels 3D modeled and printed with reference to cadaver-derived bones. In the study, a total of 298 students were asked to evaluate these biomodels in terms of their similarity to the reference bones. According to the survey, 75.5% of the students stated that their biomodel resembled the reference bones. In addition, 64.8% of these students stated that the use of biomodels can be efficient in learning the skeletal system. These outcomes showed that a sample from each of the 4 main bone types could be replicated on a 3D printer with an acceptable similarity ratio. Based on student opinions about these four different biomodels, we think that 3d printed biomodels deserve to be evaluated as an alternative in anatomy education.
VPOGLED V MNENJE ŠTUDENTOV VETERINE O UPORABI 3D-TISKANIH BIOLOŠKIH MODELOV KOSTI PRI UČENJU ANATOMIJE
Izvleček: Danes običajne metode poučevanja izgubljajo svojo učinkovitost pri prenosu znanja in spretnosti, zato bi bilo potrebno spodbujati alternativne, bolj obetavne strategije. Eno od inovativnih alternativnih učnih gradiv pri pouku veterinarske anatomije so modeli, izdelani na tridimenzionalnih (3D) tiskalnikih. Predmet te študije so štirje različni biološki modeli kosti, pripravljeni s 3D modeliranjem in tiskanjem, osnovani na kosteh, pridobljenih iz trupel. V študiji je bilo skupaj 298 študentov naprošenih, da ocenijo te biološke modele glede na njihovo podobnost s pravimi kostmi. 75,5 % študentov je navedlo, da je njihov biološki model podoben referenčnim kostem. Poleg tega je 64,8 % teh študentov izjavilo, da je uporaba bioloških modelov lahko učinkovita pri učenju skeletnega sistema. Ti rezultati so pokazali, da je mogoče vsakega od 4 glavnih tipov kosti kopirati na 3D-tiskalniku s sprejemljivim razmerjem podobnosti. Na podlagi mnenj študentov o teh štirih različnih bioloških modelih menimo, da bi 3D-tiskani biološki modeli lahko bili vrednoteni kot alternativni pripomoček pri izobraževalnem procesu anatomije.
Ključne besede: poučevanje anatomije v veterini; 3D tiskanje; biološki model kosti; perspektiva študentov
REVIVING THE ALPINE IBEX: ADDRESSING GENETIC AND HEALTH CONCERNS OF SLOVENIAN IBEX WITH BROADER IMPLICATIONS IN BIODIVERSITY
Authors: Horvat Simon
Published: October 2023

This issue’s cover illustration depicting the Alpine ibex against the backdrop of iconic Slovenia's Triglav mountain is inspired by the manuscript by Bužan et al. and serves as a poignant reminder of a lost legacy and biodiversity due to greed and overhunting. These magnificent creatures thrived entire European Alpine region before their extermination in the 19th century, with the only surviving wild population of Alpine ibex in the Gran Paradiso National Park (then a royal hunting reserve) in Italy. Reintroduction initiatives from this small population have since rebounded ibex to tens of thousands across the Alpine region. However, as the article on the Slovenian population of Alpine ibex by Bužan et al. in this issue clearly shows, while current numbers seem more promising, the genetic bottleneck they experienced from this near-extinction event has left lasting impacts on their genetic diversity.
REŠEVANJE ALPSKEGA KOZOROGA: GENETSKI IN ZDRAVSTVENI PROBLEMI SLOVENSKIH KOZOROGOV S ŠIRŠIMI POSLEDICAMI ZA BIODIVERZITETO
Ilustracija na naslovnici te številke, ki prikazuje alpskega kozoroga pred ikonično Triglavsko goro Slovenije, je navdihnjena po članku Bužan s sod., objavljenem v tej številki, in služi kot opomin izgubljeni dediščini in biodiverziteti zaradi pohlepa in prekomernega lova. Te veličastne živali so uspevale v celotni evropski Alpski regiji, preden so bile iztrebljene v 19. stoletju, z edino preživelo divjo populacijo v Narodnem parku Gran Paradiso (takrat kraljevi lovski rezervat) v Italiji. Ponovne naselitve iz te majhne populacije so od takrat od danes dvignile število kozorogov na deset tisoče v celotni Alpski regiji. Vendar, kot članek o slovenski populaciji alpskih kozorogov avtorice Bužan s sod. jasno kaže, čeprav se trenutna številka zdi obetavna, pa je genetsko ozko grlo, nastalo zaradi prekomernega lova, pustilo trajne posledice na njihovi genetski raznolikosti.
Determination of Ag in high-purity solutions of copper and nickel by high-resolution continuum-source electrothermal atomic absorption spectrometry (HR-CS-ETAAS)
Authors: Burylin M. Yu. , Kopeiko E. S. , Kostyuchenko E. S.
Published: October 2023

A need to control the silver content in high-purity copper and nickel samples is attributed to the deterioration of the technical characteristics of materials when the presence of such impurities exceeds the permissible levels. In this study, modes for the determination of Ag in copper and nickel by high-resolution electrothermal atomic absorption spectrometry with a continuum source at a content of 10–6 – 10–5 % have been developed. The optimal temperature regimes of the atomizer program and the amount of chemical modifier introduced were developed proceeding from the results of studying the regularities of atomic absorption measurements of silver in matrix solutions of Cu and Ni (with a concentration of 10 g/liter each). To construct calibration dependences, aqueous standard solutions of the analyte (determination in copper) and aqueous standard solutions of the analyte with the addition of nickel nitrate 10 mg/liter (determination in nickel) were used. The atomization temperature was chosen to be 1600°C. The dosing volume of the solutions in the graphite furnace was always 20 μl. When determining Ag in high-purity copper, different temperatures of the pyrolysis stage were used for measurements with dosing of standard analyte solutions (600°C) and for measurements with dosing of the analyzed copper solution (800°C). In the determination of silver in nickel solutions, the temperature of the pyrolysis stage was 800°C. The developed conditions for the determination of silver were tested in the analysis of high-purity samples of copper and nickel (standard solutions of Inorganic Ventures, USA with a concentration of 10 g/liter) using spiked tests. The maximum value of the relative error of determinations does not exceed 13%. The detection limits for silver were: 1.8 × 10–6 % in copper and 3.2 × 10–6 % in nickel.
Vladimir Viktorovich Moskvichev
Authors: Editotial Article
Published: October 2023

(to the 70th birthday)
RESEARCH ACTIVITIES OF STUDENTS IN THE CONTEXT OF DIGITAL TRANSFORMATION OF EDUCATION IN THE INTERESTS OF SUSTAINABLE DEVELOPMENT
Authors:   MGIMO University, Avramenko Andrei А. , Elizarova Darina N. ,   Rosatom Corporate Academy
Published: October 2023

The article offers a rationale for the relevant interpretation of the concepts of “sustainable development” and “education for sustainable development” in the context of the development of risk-oriented and practice-oriented approaches, which are reflected, first, in considering ESG-risks in investment activities and the appearance of a significant number of training programs for specialists with ESG-competences. The article presents a conceptual model of the education content for sustainable development in a higher education institution, which is based on the digital library on sustainable development of MGIMO University and considers the most relevant trends in the agenda of sustainable development: focus on the Sustainable Development Goals, climate risk prevention, low-carbon economic development, responsible financing, ESG-transformation. The article also presents results of content analysis of the key elements (in Russian and English) of the conceptual model of education for sustainable development in the most popular among students Internet resources of scientific literature: Google scholar, Science Direct, CyberLeninka, repository of preprints and articles on economics and finance IDEAS RePEc. As the results of the study show currently there is a significant base of information and analytical materials on sustainable development in the Internet. Each element of the proposed conceptual model is provided with a significant number of Internet sources in the form of scientific publications, which is one of the necessary conditions for students to study ways in achieving sustainable development and conduct research work herein