bluuebunny/crossref_metadata_2025 huggingface dataset:
INVESTIGATION OF THE INFLUENCE OF THE SUBSTITUTE IN THE THIRD POSITION ON THE ELECTRONIC STRUCTURE OF 1,3-THIAZOLO[2,3-c][1,2,4]TRIAZOLE
Authors: Fizer O.I. , Fizer M.M. , Kryvoviaz A.O. , Slivka M.V.
Published: April 2022

Condensed 1,2,4-triazole derivatives exhibit a wide range of biological activity. In particular, triazolam, alprazolam and estazolam, which contain [1,2,4]triazolo[4,3-a][1,4]benzodiazepine system, are used as tranquilizers. Brotizolam is another tranquilizer, a derivative of thieno[3,2-f][1,2,4]triazolo [4,3-a][1,4]diazepine. The oral hypoglycemic drug sitagliptin contains the [1,2,4]triazolo[4,3-a]pyrazine system. In addition, pesticides such as flumetsulam, metosulam, cloransulam, diclosulam, florasulam, are derivatives of [1,2,4]triazolo[1,5-a]pyrimidine, [1,2,4]triazolo[1,5-c]pyrimidine and [1,2,4]triazolo[4,3-a]pyrimidine. Also, the search for anticancer drugs is based on the nucleus of 1,2,4-triazole. The popularity of the use of 1,2,4-triazole derivatives is primarily due to the high pharmacological action and relatively low toxicity of these compounds.
The calculations were performed in the software package ORCA 4.2.1, by the method of density functional theory using the B3LYP/def2-TZVP method. After optimizing the geometry, to confirm the finding of the true local minimum, we calculated the matrix of the second derived energy from the coordinates of the atoms - in all cases, no imaginary frequencies were detected, indicating the finding of the true minimum. The magnetic characteristics of the compounds were calculated by the GIAO method. Using the method of density functional theory, the geometric and electronic structures of five compounds of the [1,3]thiazolo[2,3-c][1,2,4]triazole class were simulated, namely: unsubstituted [1,3]thiazolo[2,3-c][1,2,4]triazole, 3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole, 3-ethyl-[1,3]thiazolo[2,3-c][1,2,4]triazole, 3-butyl-[1,3]thiazolo[2,3-c][1,2,4]triazole, 3-hexyl-[1,3]thiazolo[2,3-c][1,2,4]triazole. It is established that the length of the alkyl substituent in the third position has almost no effect on the shape and localization of the frontal molecular orbitals. In all cases, the isosurfaces are localized on the condensed system [1,3]thiazolo[2,3-c][1,2,4]triazole. The length of the alkyl substituent in the third position affects the ionization energy and electron affinity of [1,3]thiazolo[2,3-c][1,2,4]triazoles. Moreover, both the ionization energy and the electron affinity decrease with increasing alkyl chain length. The change in aromaticity with the change in the length of the alkyl substituent in the third position of the [1,3]thiazolo[2,3-c][1,2,4]triazole system is irregular, but the change is insignificant. It is established that both triazole and thiazole cycles are more aromatic than benzene, and the aromaticity of the triazole cycle is greater than thiazole.
Keywords: 1,2,4-triazole; 1,3-thiazole, thiazolo[2,3-c][1,2,4]triazole, frontal molecular orbitals; aromaticity.
TELLURO-INDUCED CYCLIZATION OF 2-ALLYLTHIOQUINOLINECARBALDEHYDE
Authors: Sabo T. , Kut D. , Kut M. , Onysko M. , Lendel V.
Published: April 2022

It is known that thiazolopyrimidines with an exocyclic aryl tellurium moiety exhibit antimalarial activity against the deadliest strain of Plasmodium falciparum. For expanding the number of potentially biologically active compounds with an exocyclic aryl tellurium moiety, a study of tellurium-induced heterocyclization of 2-allylthioquinoline-3-carbaldehyde with p-methoxyphenylteltur trichloride was performed. The selection of this synton is motivated by the fact that quinoline derivatives are used as drugs in the treatment of malaria.
The starting compound 2-allylthioquinoline-3-carbaldehyde contains several nucleophilic centers for passing tellurium-induced cyclization, namely the multiple bond of the allyl moiety and the endocyclic nitrogen atom of quinoline. Thus cyclization reaction can lead to the formation of both addition and cyclization products. The reaction of the allyl thioether with p-methoxyphenyltelluriumtrichloride was performed in glacial acetic acid and under stirring the reagents at room temperature for 8 hours. It was found that the tellurium-induced cyclization of 2-allylthioquinoline-3-carbaldehyde with p-methoxyphenyltellurium trichloride leads to the formation of angular thiazoloquinoline with an exocyclic aryltellurium fragment ― 1-(dichloro(4-methoxyphenyl)-tellanyl)methyl)-4-formyl-1,2-dihydrothiazolo[3,2-a]quinolin-10-ium chloride. Based on the spectral data, it is proved that the reaction produces a complex of 1-(dichloro(4-methoxyphenyl)-tellanyl)methyl)-4-formyl-1,2-dihydrothiazolo[3,2-a]quinolin-10-ium chloride with p-methoxyphenyltellturium trichloride with composition 1: 1. It should be noted that the formation and composition of this complex does not depend on the ratio of starting reagents.
In order to evaluate the biological activity of 1-(dichloro(4-methoxyphenyl)-tellanyl)methyl)-4-formyl-1,2-dihydrothiazolo[3,2-a]quinolin-10-ium chloride, the theoretical bioscreening was performed using online resource Way2Drug. Analysis of the obtained bioactivity data showed the potential antioxidant, antibacterial and antiviral activity of exotellurofunctionalized thiazolo[3,2-a]quinoline-10-ium.
Keywords: 2-allylthioquinoline-3-carbaldehyde; p-methoxyphenyltellurium trichloride; electrophilic heterocyclization; annulation, thiazolo[3,2-a]quinolinium chloride.
Library Reservation System Using Face detection
Authors: Nik Mustapa Nik Ruslawati , Rosli Nur Athikah Fatehah
Published: April 2022

Today, Covid-19 has completely changed our way of life. The new generation has made people stay at home, instead of going on vacation. The users are not allowed in a close place, especially in a building or room. The library that used to be packed with people reading books, studying, and using the computer is now becoming empty. The room in the library has been limited only to a certain number of people to prevent any dangerous situation regarding the Covid-19 virus to spread. The room needs to be reserved beforehand for the user to use. This situation has become a problem for users as the user’s desired room may be occupied by other users. Thus, Reservation System using face recognition for the library was developed to overcome this situation. In this paper, the researcher will use the Haar Cascade Algorithm to scan the face and MySQL as a database to detect the room and time slot for a reservation. Phyton language and Visual Studio Code were used to develop the system. The limitation of this project is that the face registration took a long time for some users because of the lightning that makes it the system hard to recognize the face. The recommendations for future work are to use a high technology camera to scan the face and construct an admin page because the system does not have an admin page.
Two new species of Cavernocepheus (Acari, Oribatida, Otocepheidae) from Malawi
Authors: Ermilov Sergey G. , Starý Josef
Published: April 2022

The oribatid mite genus Cavernocepheus (Oribatida, Otocepheidae) is recorded for the first time in Malawi. Two new species of the subgenus Cavernocepheus (Paracavernocepheus) — C. (P.) hlavaci n. sp. and C. (P.) mulanjensis n. sp. — are described from forest litter. Morphological comparison between known species of Cavernocepheus (Paracavernocepheus) and their distribution are presented.
Kidney cell DNA damage caused by combined exposure to volatile anaesthetics and 1 Gy or 2 Gy radiotherapy dose in vivo
Authors: Benković Vesna , Oršolić Nada , Knežević Anica Horvat , Borojević Nikola , Brozović Gordana , Milić Mirta
Published: April 2022

Patient immobilisation with volatile anaesthetics (VA) during radiotherapy is sometimes unavoidable. Although it is known that both VAs and ionising radiation can have nephrotoxic effects, there are no studies of their combined effects on DNA damage. The aim of this in vivo study was to address this gap by investigating whether 48 groups of healthy Swiss albino mice (totalling 240) would differ in kidney cell DNA damage response (alkaline comet assay) to isoflurane, sevoflurane, or halothane anaesthesia and exposure to 1 Gy or 2 Gy of ionising radiation. We took kidney cortex samples after 0, 2, 6, and 24 h of exposure and measured comet parameters: tail length and tail intensity. To quantify the efficiency of the cells to repair and re-join DNA strand breaks, we also calculated cellular DNA repair index. Exposure to either VA alone increased DNA damage, which was similar between sevoflurane and isoflurane, and the highest with halothane. In combined exposure (VA and irradiation with 1 Gy) DNA damage remained at similar levels for all time points or was even lower than damage caused by radiation alone. Halothane again demonstrated the highest damage. In combined exposure with irradiation of 2 Gy sevoflurane significantly elevated tail intensity over the first three time points, which decreased and was even lower on hour 24 than in samples exposed to the corresponding radiation dose alone. This study confirmed that volatile anaesthetics are capable of damaging DNA, while combined VA and 1 Gy or 2 Gy treatment did not have a synergistic damaging effect on DNA. Further studies on the mechanisms of action are needed to determine the extent of damage in kidney cells after longer periods of observation and how efficiently the cells can recover from exposure to single and multiple doses of volatile anaesthetics and radiotherapy.
Radiological impact of an active quarry in the Papuk Nature Park, Croatia
Authors: Petrinec Branko , Rašeta Davor , Babić Dinko
Published: April 2022

Papuk Nature Park, unlike most similar parks and preserves in the world, contains active quarries. Quarries dig stone from the ground, creating dust and exposing deeper, potentially more radioactive layers. Since the forest trails in the Park lead right up to the quarries, we believed it was important to determine the radiological impact of the quarries on the Park environment. We measured ambient dose rate equivalent H*(10) and sampled moss at 26 Park locations along two of four quarries, along the road between them, and near Lake Orahovac, a very popular tourist destination close to the quarries. Moss is a standard bioindicator of exposure to heavy metals, including radionuclides. Using-gamma ray spectrometry we determined the activity concentration of 137Cs and of representative naturally occurring radionuclides – 238U, 226Ra, 210Pb, 232Th, and 40K – in sampled moss. H*(10) at selected locations was similar to the background H*(10) measured continuously all over Croatia. The ranges of measured activity concentrations of 137Cs and naturally occurring radionuclides in moss did not differ significantly from other parts of Croatia and nearby countries.
In vitro antifungal effect of phenylboronic and boric acid on Alternaria alternata
Authors: Martinko Katarina , Ivanković Siniša , Đermić Edyta , Đermić Damir
Published: April 2022

The ascomycete fungus Alternaria alternata causes early blight, one of economically the most important tomato diseases. Due to frequent use of fungicides, A. alternata has developed resistance with negative economic and environmental consequences. Research of new ways to control fungal pathogens has turned its eye to environmentally friendly chemicals with low toxicity such as boronic acids. The aim of our study was therefore to test the antifungal effects of phenylboronic and boric acid in vitro on A. alternata. We isolated the pathogen from a symptomatic tomato plant and determined the minimum inhibitory concentration of phenylboronic and boric acid on A. alternata mycelial growth using the poisoned food technique. The antifungal effect was tested on a wide range of phenylboronic and boric acid concentrations (from 0.04 % to 0.3 %) applied separately to agar with mycelial disc of the pathogen. After five days of incubation, phenylboronic acid at low concentration (0.05 %) completely inhibited mycelial growth. Boric acid, in turn, did not significantly slow down mycelial growth but did reduce sporulation and confirmed its fungistatic effect. Our findings point to the potential use of phenylboronic acid to control phytopathogenic fungi. This is, to our knowledge, the first report on its antifungal effect on an agriculturally important pathogen in vitro. Moreover, since A. alternata is also a human pathogen, these results may have clinical ramifications.
Inflammatory factors driving atherosclerotic plaque progression new insights
Authors: Song Boce , Bie Yulong , Feng Haoxin , Xie Beili , Liu Mingwang , Zhao Fuhai
Published: April 2022

Coronary atherosclerosis is a chronic inflammatory disease that can lead to varying degrees of blood flow obstruction and a common pathophysiological basis of cardiovascular disease. Inflammatory factors run through the whole process of atherosclerotic lesions. Macrophages, T cells, and neutrophils play important roles in the process of atherosclerotic inflammation. Considering the evolutionary characteristics, atherosclerosis can be divided into different stages as early atherosclerotic plaque, plaque formation stage, and plaque rupture stage. In this paper, the changes in inflammatory cells at different stages of lesions and their related mechanisms are discussed, which can provide new insights from a clinical to bench perspective for atherosclerosis me chanism.
CIE 249:2022 Visual Aspects of Time-Modulated Lighting Systems
Authors:   CIE TC 1-83
Published: April 2022

The fast rate at which solid-state light sources can change their luminous output is one of the main drivers behind the revolution in the lighting industry and applications of lighting. The fast rate of the intensity change means that a modulation of the luminous output, both intended and unintended, is directly linked to the modulation of the driving current. In turn, the light modulation can give rise to distortions in the perception of the environment.-\n--\n-While in some very specific entertainment applications a distorted perception due to light modulation is desired, for most everyday applications and activities the distortion is detrimental and undesired. These changes in the perception of the environment are called ?temporal light artefacts? (TLAs) and can have a large influence on the experience of the illumination quality. Moreover, studies indicate that exposure to light exhibiting visible and measurable temporal modulation can lead to a decrease in performance, increased fatigue as well as acute health problems like migraine episodes. The potential negative effect of TLAs has prompted lighting manufacturers, lighting application specialists, universities and governments to look for ways to measure the effect and come to a better understanding of the temporal quality aspects of lighting systems. In this context, the CIE established Technical Committee (TC) 1-83 Visual Aspects of Time-Modulated Lighting Systems .-\n--\n-In 2016, the CIE published the first output of TC 1-83, Technical Note (TN) 006:2016 ?Visual Aspects of Time-Modulated Lighting Systems ? Definitions and Measurement Models?. This Technical Report builds on this previously published TN. In the first part of the document, the definitions for the perceptual effects that modulated light can produce are given. In the second part, an overview of the relevant literature is given as well as an overview of the parameters that influence the visibility of the different TLAs. The next part gives a description of two methods, one in the frequency domain and one in the time domain, which can be used to quantify visibility of TLAs. Three different implementations of these methods into specific visibility measures are given as an example. After that, practical guidelines are outlined on how to test light sources. Finally, recommendations are provided on the use of the definitions and quantification methods, together with directions for future work. Keywords: Solid-state light sources, Physiological optics, Vision, Visual Aspects, Light modulation, Time-Modulated Lighting, TML, Measurable temporal modulation, Temporal light artefact, TLA, Visibility of TLA, Illumination quality, Temporal quality aspects
BATAS ATAS RAINBOW CONNECTION NUMBER PADA GRAF BUCKMINSTERFULLERENE
Authors: Anggalia Fitri - , YULIANTI LYRA , WELYYANTI DES
Published: April 2022

Misalkan G adalah suatu graf terhubung tak trivial. Suatu pewarnaan c :E(G) â†’ {1, 2, ..., k}, k âˆˆ N pada graf G adalah suatu pewarnaan sisi di G sedemikiansehingga setiap sisi bertetangga boleh berwarna sama. Misalkan u, v âˆˆ V (G) dan Padalah suatu lintasan dari u ke v. Suatu lintasan P dikatakan rainbow path jika tidakterdapat dua sisi di P berwarna sama. Graf G disebut rainbow connected dengan pewarnaan c jika untuk setiap u, v âˆˆ V (G) terdapat rainbow path dari u ke v. Jika terdapat k warna di G maka c adalah rainbow k-coloring. Rainbow connection number dari graf terhubung dinotasikan dengan rc(G), didefinisikan sebagai banyaknya warna minimal yang diperlukan untuk membuat graf G bersifat rainbow connected. Dalam makalah ini akan ditentukan batas atas Rainbow Connection Number pada Graf Buckminsterfullerene.Kata Kunci: Graf Buckminsterfullerene, Rainbow connection number
AKURASI DAN EFISIENSI SOLUSI PERSAMAAN DIFERENSIAL BIASA DENGAN MASALAH NILAI BATAS PADA JULIA DAN OCTAVE
Authors: KOMANG KUTHA ARDHANA NGAKAN , NURDIATI SRI , KHOIRUN NAJIB MOHAMAD , AHMAD MUKRIM SYAHID
Published: April 2022

Salah satu program yang andal untuk menyelesaikan masalah nilai batas secara numerik adalah MATLAB. Namun, program tersebut bersifat komersial, sehingga tidak semua pengguna dapat menggunakannya. Adapun program lain yang bersifat open sourceÂ adalah Octave, yang sering digunakan karena kemiripannya dengan MATLAB. Selain itu, ada pula Julia, yang diklaim dinamis dan cepat. Keduanya menyediakan rutin untuk menyelesaikan masalah nilai batas menggunakan metode kolokasi. Oleh karena itu, penelitian ini bertujuan untuk menguji dan membandingkan akurasi serta efisiensi dari rutin pencarian solusi masalah nilai batas pada Octave dan Julia. Hasil yang diperoleh menunjukkan bahwa pencarian solusi masalah nilai batas pada Julia jauh lebih akurat dan efisien dibandingkan Octave berdasarkan beberapa kasus yang diberikan. Julia menyelesaikan masalah nilai batas dengan waktu komputasi rata-rata 2500 kali lebih cepat dibandingkan Octave. Dari sisi akurasi, Julia memiliki relatif error rata-rata 100000 kali lebih kecil dibandingkan Octave.
Rap, poesía y escuela: resonancias para un texto-cuerpo
Authors: Duarte Carlos
Published: April 2022

Escurridiza a los dispositivos pedagógicos por su estatuto de complejo objeto estético, la poesía en la escuela se vuelve desafío a la hora de diseñar modos de ser abordada. El siguiente artículo recupera perspectivas alrededor de lo poético que determinan prácticas, cuando son llevadas al aula, para diseñar una propuesta didáctica que articule alianzas, divergencias y posibles relaciones entre la poesía, la lectura, la escritura, el uso de la voz y del cuerpo a partir de la aproximación al rap como manifestación poética, buscando abrir un campo de interrogantes con posibilidades de efectuación en un aula de literatura.
Más allá de like y followers. La poesía en el aula de educación secundaria
Authors: Rosal Nadales María
Published: April 2022

El presente trabajo aborda el auge de publicaciones de poesía en Inter-net y su éxito entre los lectores jóvenes. Realiza una revisión de las condiciones del campo literario en la segunda década del siglo XXI, así como de las controversias en torno a la calidad literaria de las obras ori-ginadas en las redes. Plantea una reflexión sobre las interrelaciones entre el canon establecido en el currículum de Educación Secundaria y las lecturas que los adoles-centes comparten en las redes sociales al margen del canon. Propone estrategias de intervención didáctica para avanzar en la adquisición de las competencias lectora y literaria. En ellas integra los aspectos mul-timodales y lúdicos de Internet en favor de la motivación, para profundizar en el co-nocimiento y disfrute de la poesía de cali-dad y la tradición literaria, en un contexto educativo en el que cobra importancia la escritura creativa de textos poéticos.
De las redes al aula. La enseñanza del inglés a través de la poesía juvenil en educación secundaria
Authors: Llamas Martínez Isabel
Published: April 2022

En este artículo, partiendo de una base teórica a propósito de la realidad de las aulas de enseñanza de inglés en Educación Secundaria, presentamos algunas propuestas de trabajo para utilizar la poesía juvenil fruto de las redes sociales como herramienta didáctica que propicie el interés en el aprendizaje de una segunda lengua (el inglés) desde una metodología activa en la que los alumnos se sientan protagonistas reales de su propio aprendizaje.En concreto, nuestra propuesta se centra en actividades a raíz de textos de autores millennial como Rupi Kaur, Robert Montgomery o Samantha Jayne, tres referentes de esta nueva y polémica generación de autores en lengua inglesa, que usa las redes sociales como instrumento de proyección y difusión de su obra con gran éxito y proyección mediática
Factors influencing the practice of artificial termination of pregnancy
Authors: Skobelina Natalia Anatolyevna , Shelest Marina Viktorovna
Published: April 2022

In the article, abortion is presented as one of the indicators of the demographic transition, characterized by a low birth rate and mortality, a change in marital and family behavior, and the transformation of the composition of the population of modern Russian society. The practice of abortion is in the center of our attention and is considered in interaction with other social phenomena.The purpose of the study is to determine the factors influencing the practice of abortion in the current demographic situation. As the methodology of this research, the authors of the article use the analysis of the scientific literature of domestic scientists, the results of their own sociological research and the results of sociological research of VTSIOM.The authors identify socio-cultural, institutional, psychological factors that influence the practice of abortion. At the individual level, a woman's attitude to "unexpected pregnancy" plays an important role, the availability of opportunities for termination of pregnancy (formal and informal rules and regulations, legislative acts, public approval or condemnation), the perception of abortion as a social problem, forms of behavior of individuals participating in the practice of artificial termination of pregnancy. The novelty of the study is presented as an analysis of the factors that influenced the practice of abortion and the results of the author's sociological research. The analysis of scientific literature has shown that the traditions that have developed in a particular society, the level of development of the health and education system, as well as the specific situation in which a woman who decides to have an abortion finds herself are of great importance. The results of sociological research, official statistics show that formal and informal norms and rules, the development of pharmacology, the emergence of new methods of contraception, changes in basic institutions have an impact on the practice of abortion in the context of demographic transition.
Features of self-design in the virtual world
Authors: Korkiya Eka Demurievna , Mamedov Agamali Kulamovich
Published: April 2022

Modern scientific discourse contains two significantly different views on the identity that develops in virtuality. The first is based on the assertion that the virtual identity has its own autonomy and independence from the real identity. At the same time, self-construction or self-presentation in the virtual world compensates for the lack of empathy and attention of the individual to himself in real life. The most common way to increase attention to yourself is to create original author's content (text and visual). The digital nature of modern communication provides an original opportunity to model one's own limited or unlimited virtual space, switch its "modes" or regulate its availability for other users. This virtual space is used by a person not only for communication, entertainment, satisfaction of any cultural and spiritual needs, but also, first of all, for his own self-presentation, which is an integral part of the identity construction process. Identity in the virtual world becomes quite controversial in its content: on the one hand, the authors have fixed the space of virtual social networks as a special living space of their own (private space), on the other hand, the practices of constructing identity themselves due to the public nature of opinion-oriented self-presentation " Another”, become part of the open flow of information, which leads to the blurring of the spheres of public and private.
Three-component stereoselective enzymatic synthesis of amino diols and amino-polyols
Authors: Ford Grayson J. , Flitsch Sabine L. , Bradshaw Allen Ruth T. , Baldwin Christopher R. , Marshall James R. , Mattey Ashley P. , Turner Nicholas J. , Clapés Pere
Published: April 2022

Amino polyols represent attractive chemical building blocks but can be challenging to synthesize because of the high density of asymmetric functionalities and the need for extensive protection group strategies. Here we present a three-component strategy for the stereoselective enzymatic synthesis of amino diols and amino polyols using a diverse set of prochiral aldehydes, hydroxy ketones and amines as starting materials. We were able to combine biocatalytic aldol reactions, using variants of D-fructose-6-phosphate aldolase (FSA), with reductive aminations catalyzed by IRED-259, identified from a metagenomic library. A two-step process, without the need for intermediate isolation, was developed to avoid cross-reactivity of the carbonyl components. Stereoselective formation of the (R),(R),(R) enantiomers of amino polyols was observed and confirmed by x-ray crystallography.
A Bond-Energy/Bond-Order and Populations Relationship
Authors: Zulueta Barbaro , Tulyani Sonia , Westmoreland Philip , Frisch Michael , Petersson E. James , Petersson George , Keith John
Published: April 2022

We report an analytical Bond Energy from Bond Orders and Populations (BEBOP) model that provides intramolecular bond energy decompositions for chemical insight into the thermochemistry of molecules. The implementation reported here employs a minimum basis set Mulliken population analysis on well-conditioned Hartree-Fock orbitals to decompose total electronic energies into physically interpretable contributions. The model's parameterization scheme is based on atom-specific parameters for hybridization and atom pair-specific parameters for short-range repulsion and extended Huckel-type bond energy term fitted to reproduce CBS-QB3 thermochemistry data. The current implementation is suitable for molecules involving H, Li, Be, B, C, N, O, and F atoms, and it can be used to analyze intramolecular bond energies of molecular structures at optimized stationary points found from other computational methods. This first-generation model brings the computational cost of a Hartree-Fock calculation using a large triple-zeta basis set, and its atomization energies are comparable to those from widely used hybrid Kohn-Sham density functional theory (DFT, as benchmarked to 109 species from the G2/97 test set and an additional 83 reference species). This model should be useful for the community by interpreting overall \textit{ab initio} molecular energies in terms of physically insightful bond energy contributions, e.g. bond dissociation energies, resonance energies, molecular strain energies, and qualitative energetic contributions to the activation barrier in chemical reaction mechanisms. This work reports a critical benchmarking of this method as well as discussions of its strengths and weaknesses compared to hybrid DFT (i.e., B3LYP, M062X, PBE0, and APF methods), and other cost-effective approximate Hamiltonian semi-empirical quantum methods (i.e., AM1, PM6, PM7, and DFTB3).
The Instruction and Assessment of Multicultural Dispositions in Teacher and Counselor Education
Authors: Thompson Franklin
Published: April 2022

The purpose of this study was to examine teacher dispositions within an undergraduate and graduate education course aimed at helping students gain a better appreciation for lifelong multicultural education. Education majors (N=202) from a Midwestern metropolitan university were asked to rate the viability of 13 dispositions as a training and instructional tool. Curriculum based on the underlying principles of the dispositions served as the treatment plan. Significant pretest (M=7.92, SD=0.77) to post-test (M=8.45, SD=0.56) change in mean scores was shown for the combined data set (t(204)=-10.32, p<.0005) with a large effect size (d=.80). Dispositional growth was evident despite a limited impact of selected demographic variables. Results of this institutional review board approved study demonstrate that multicultural dispositions applied within an intentionally inviting learning environment can be used to assess changes in student perceptions over the span of a semester or across a program of professional preparation. This will help college students better assess whether or not teaching and counseling career paths are correct ones for them to pursue.
Inviting Autonomy: Common Roots and Beliefs of Self-determination Theory and Invitational Education Theory
Authors: Moss Jennifer D.
Published: April 2022

Often, educational and psychological theories stand independently of one another, focusing on particular, discreet components of learning or motivation. However, there are many similarities between invitational educational theory, which examines motivation and education, and self-determination theory, a theory of motivation and personality. Both theories, when applied to educational settings, value respectful relationships between teachers and students. They encourage practitioners to incorporate choice into their plans and recognize the importance of a person’s perception to that person’s related behavior. Invitational education theory and selfdetermination theory were developed separately by different researchers. However, the two theories emerged during the early 1970s, at a time when educators and psychologists were rejecting behaviorism and, instead, beginning to value a humancentered approach. This paper aims to introduce invitational education and selfdetermination theory, describe their origins from a similar place and time via humanistic psychology, and highlight key similarities in their beliefs with the ultimate goal of enhancing knowledge in order to continue to improve classrooms world-wide.
Don't Fight, Mediate
Authors: Davis Grace M.
Published: April 2022

Peer mediation offers a way for students to settle disagreements without violence and without involving the traditional system of school discipline (Davis & Porter, 1985). Simply put, peer mediation offers another way for students to handle the inevitable conflicts of daily school life. Students trained as mediators help other students resolve disputes in a collaborative, win-win form of conflict resolution. In this way, students play a vital role in reducing violent behaviors and creating "safe schools." In this article, I present one high school mediation program that has been implemented and evaluated. First, a brief background about peer mediation is necessary.
Factors Affecting Premarital Sexual Behavior in Adolescents in South Sumatra
Authors: Purnama Sari Indah , Nasution Sri Lilestina , Lailatul Alfiah
Published: April 2022

Adolescence is one of the stages of the individual growth and development cycle in the age range of 10-24 years and is not yet bound by marital status. One of the risky sexual behaviors that most teenagers do is dating. Dating in adolescence is part of the socialization process, learning intimacy and providing opportunities to create meaningful and unique relationships with the opposite sex, as well as being a context for sexual experimentation and exploration. This study’s aim was to determine various factors associated with premarital sexual behavior at risk in adolescents. This study uses secondary data with a cross sectional design from the 2018 Survei Kinerja dan Akuntabilitas Program Kependudukan, Keluarga Berencana dan Pembangunan Keluarga (SKAP) with a total of 637 adolescents aged 15-24 years and unmarried were selected as a weighted samples. Data was collected through interviews using structured questionnaires, and data analysis was carried out using univariate, bivariate using Chi Square’s test, and multivariate using logistic regression tests. The proportion of risky premarital sexual behavior in adolescents in South Sumatra was 62,4%. Adolescents with higher knowledge about reproductive health had 2.7 times of risk of premarital sexual behavior than else after being controlled by knowledge of family planning, socioeconomic and residence (95% CI: 1.8 – 3.9). This study concludes that knowledge is one of the factors that influence premarital sexual behavior but is not a direct factor. Therefore, the advice that can be given is to involve various parties comprehensively in providing knowledge in a sustainable manner.
CORN DISTILLERS' DRIED GRAINS WITH SOLUBLES ON PERFORMANCE AND GASTROINTESTINAL CHARACTERISTICS OF BROILERS
Authors: Valentim Jean Kaique , Lima Heder José D 'Ávila , Bittencourt Tatiana Marques , Moraleco Debora Duarte , Lopes Yury Gonçalves , Antunes Hellen Cristina Ferreira , Matos e Silva Nayara Emanoelle , Tossué Fernandes Jesuino Muquissai
Published: April 2022

This study has as an objective to determine the effect of different inclusion levels of dried distillery grain with soluble (DDGS) on meat chicken diet to its performance, carcass yield and cuts and gastrointestinal tract biometry. A mixed lot of 700 one-day-old chickens from COOB 500 linage was used, distributed in a completely randomized design with 5 treatments, 7 repetitions and 20 broilers per experimental unit, were 10 was male and 10 female. The studied levels of DDGS were 4; 8; 12 and 16% of inclusion on experimental rations, plus the control treatment (0%). At the 1st and the 42nd days of life, the broilers were weighted, as the remains of ration to obtain variables of performance. For performance it was evaluated weight gain (WG) (g/bird/day), ration consumption (RC) (g/bird/day), feed conversion (FC), medium weight (MW), productive efficiency index (PEI), and viability (V). At 42 days of age 2 broilers from each lot was selected, weighted and identified with medium weight from the experimental unit for slaughtering and evaluation of cuts yield, carcass and gastrointestinal biometry. The evaluated parameters were submitted to variance analyses with 5% of probability using the statistical program SAS. Effects of inclusion of DDGS were estimated through variable analyses via linear regression models and the contrasts by the Dunnett test with 5% of probability. For the variables WG, FC, MW and PEI on the period of 1-42 days of production, it was obtained values of better performance on the level of 7,28%; 10,60%; 12;10% e 12;92% respectively. There was a reduction of carcass weight, of breast and fat of the broilers when using 12 and 16% of DDGCS. Therefore, it has indicated the inclusion of until 11, 02% and 7, 44% on the diet so there is no loss on carcass yield and breast weight, respectively.
Ultrassonografia Doppler de corpos lúteos em éguas com ovulação induzida
Authors: Maia Victor Netto , Batista André Mariano , Cunha Neto Sylvio , Silva Diogo Manoel Farias , Wischral Aurea
Published: April 2022

Neste trabalho objetivou-se avaliar o padrão de vascularização luteal em éguas com ovulação induzida com acetato de deslorelina e sua relação com concentrações séricas de progesterona. Foram utilizadas éguas (n=5), com ovulação natural (GC) e induzida com 750 µg de acetato de deslorelina (GT). Os corpos lúteos (CL) foram analisados nos dias 4, 8 e 12 após a ovulação, usando ultrassonografia com Doppler colorido. A concentração de progesterona foi analisada por enzimaimunoensaio (ELISA), nos mesmos dias das avaliações dos CLs. Não foram observadas diferenças significativas (P ? 0,05) entre os grupos (GC x GT), em relação ao percentual de vascularização dos CLs avaliados nos dias 4 e 8 pós-ovulação. Entretanto, foi observado menor (P < 0,05) padrão de vascularização dos CLs no dia 12, quando comparado aos dias 4 e 8, nas fêmeas do grupo tratado com deslorelina. As concentrações de progesterona obtidas nos grupos GC e GT não apresentaram diferenças significativas entre os grupos ou entre os dias 4, 8 e 12 após a ovulação (P > 0,05). Além disso, nenhuma correlação foi encontrada entre o padrão de vascularização e as concentrações de progesterona nos diferentes grupos (r = -0,067; P = 0,09). Conclui-se que a indução da ovulação com acetato de deslorelina não afetou os níveis de progesterona nos dias 4, 8 e 12 após a ovulação, porém promoveu redução no padrão de vascularização no dia 12 após a ovulação. Além disso, não houve correlação entre o padrão de vascularização luteal e a concentração de progesterona nas éguas avaliadas.
Blood lipid spectrum and elastic properties of arteries in patients with chronic pancreatitis in combination with arterial hypertension
Authors: Filippova A.Yu. , Löhr M. , Kryvoshei V.V.
Published: April 2022

110 patients aged 45-65 years with chronic pancreatitis were examined. The first group consisted of patients with a combined course of chronic pancreatitis with arterial hypertension; the second group - patients with chronic pancreatitis without concomitant hypertension. All patients were examined for total cholesterol, triglycerides, high-density lipoprotein cholesterol, low-density lipoprotein cholesterol, and very low-density lipoprotein cholesterol. Arterial stiffness was determined by the pulse wave velocity. It was found that patients of the 1st group had significantly higher levels of triglycerides (37.2%), low-density lipoprotein cholesterol (13%), total cholesterol (25%), atherogenic ratio (19.6%) and significantly lower levels of high-density lipoprotein cholesterol (15.4%). Correlations between age and the level of atherogenic ratio, low-density lipoprotein cholesterol were established – r=0.35; p<0.01; r=0.37; p<0.01, respectively. The duration of chronic pancreatitis positively correlated with the level of triglycerides, low-density lipoprotein cholesterol – r=0.43; p<0.01; r=0.34; p<0.01, respectively. The level of brachial artery augmentation index was significantly lower by 43% in patients with chronic pancreatitis in combination with arterial hypertension, while the aortic augmentation index was significantly higher by 37.6% (p<0.01). It was found that patients of the 1st group had a significantly higher pulse wave velocity in the carotid-femoral segment compared to the 2nd group – by 7.5% (p<0.01). Significant correlations have been established between the brachial artery augmentation index and age, total cholesterol, atherogenic ratio, high and low density lipoprotein cholesterol, triglycerides, cardiovascular risk level by the SCORE scale in patients with a combined course of chronic pancreatitis with arterial hypertension. Conclusions. Patients with the combination of chronic pancreatitis and hypertension had significantly higher levels of triglycerides, low-density lipoprotein cholesterol and total cholesterol. Changes in the elastic properties of arteries in patients with chronic pancreatitis with comorbid hypertension were characterized by an increase in the augmentation index and the pulse wave velocity in the carotid-femoral segment.
Novas tecnologias no ensino da Química: modelagem prática da tabela periódica em sala de aula
Authors: Carvalho Denis Ribeiro
Published: April 2022

A modelagem prática virtual é uma ferramenta atrativa e também de aperfeiçoamento de metodologias nas atividades desenvolvidas em sala de aula sob o tema Tabela Periódica, possibilitando ao aluno trabalhar com os componentes curriculares de Química de forma simplificada. O estudo de caso focalizou-se em trabalhar a periodicidade dos elementos e famílias, pois é um estudo essencial. Surge a proposta de que os próprios estudantes moldem uma ferramenta de estudo de acordo com a sua necessidade uma vez que Química é vista microscopicamente por muitas pessoas desde que estudamos o átomo, pois é difícil para alguém imaginar que o mesmo está na ponta do seu dedo e que pode ser até uma partícula de giz. O que tange os conhecimentos empíricos e os conhecimentos científicos, a modelagem prática é de suma importância para favorecer a relação entre o aluno e o professor em um processo de ensino-aprendizagem, tornando possível a criação de trabalhos com elevado grau de qualidade e significatividade. Tendo em vista a contribuição desse processo com as vivências em sala de aula, enquanto professores em formação, e para os alunos ao fazer referência a Modelagem Prática Virtual, destaca-se que o propósito é reinventar um trabalho que já existe, com o intuito de alterar sua figura sem perder suas propriedades básicas fundamentais e adequar para atender à necessidade desses alunos. A interdisciplinaridade no ensino é trabalhada de inúmeras formas principalmente nas disciplinas de Informática e Química, que quando aliadas possibilitam grandes construções e inovações.
Causas de condenação de órgãos e carcaças na inspeção de abate em frigoríficos da região fronteira noroeste do estado RS
Authors: Thomas Dione Joel , Kuzniewski Fábio Carlos , Bertoldo Vanderléia , Abentrth Klaic Paula Michele
Published: April 2022

A inspeção sanitária de carnes é uma ação preventiva altamente relevante para a saúde pública, e compreende um conjunto de práticas que objetivam proteger a população por meio da redução de doenças transmitidas pelos alimentos. Este estudo teve por objetivo identificar as principais causas de condenação de carcaças e órgãos de bovinos e suínos em três abatedouros frigoríficos localizados em Santa Rosa e Santo Cristo. Para o levantamento das causas foram analisados os registros de ocorrências de condenações, geradas pelo Serviço de Inspeção Municipal (SIM) e Inspeção Estadual da Divisão de Inspeção de Produtos de Origem Animal (DIPOA), antigo CISPOA, referente aos meses de março a maio de 2018. A condenação total de carcaças ocorreu em 0,2% do total de bovinos abatidos e 1,1% do total de suínos. Entre os principais órgãos condenados estão o fígado e os rins, para bovinos, e rins e coração para os suínos. Para o abatedouro 1, os rins representaram 67,3% das condenações e o coração 21% para órgão de suínos, para o abatedouro 2, os rins representaram 32,3% e fígado 55,4% das condenações para órgãos bovinos, e, os rins 35,9% e língua 28,3% para órgãos de suínos. Já para o abatedouro 3, os rins representaram 47,6% e o fígado 45,5% das condenações de órgãos bovinos. Por fim, a condenação de órgãos e carcaças de suínos e bovinos destinados ao abate é de extrema importância para a saúde pública, pois grande parte das lesões observadas podem estar relacionadas a doenças zoonóticas.
Reflexões sobre a formação de professores: um relato a partir de práticas com estudantes em vulnerabilidade social
Authors: Chaves Taniamara Vizzotto , Ambrosini Bianca Bueno , Correa Soraya Pereira , Vargas Monica Santanna de , Zambrano João Metrione Costa , Santos Fabiana Pimentel dos , Pimentel Fernando Dias , Betin Sidmar da Silva
Published: April 2022

O presente artigo é resultado das reflexões realizadas no espaço de um projeto de extensão desenvolvido em parceria entre o Instituto Federal Farroupilha e uma escola pública de ensino fundamental localizada na cidade de São Borja, Rio Grande do Sul. O projeto surgiu por necessidade da escola tendo em vista a desmotivação dos alunos para com a aprendizagem escolar. Situações de vulnerabilidade social são comuns no meio escolar, sendo que, normalmente neste tipo de situação as famílias não participam da dinâmica escolar e nem da vida estudantil dos seus filhos. Com o propósito de desenvolver atividades que proporcionassem aos alunos momentos de aprendizagem, valorização, inclusão e reflexão criou-se uma equipe interdisciplinar composta por professores e acadêmicos. As atividades desenvolvidas permitiram traçar um perfil dos alunos envolvidos no projeto assim como desenvolver intervenções com foco na arte e na cultura. As informações socializadas neste artigo foram coletadas mediante as produções dos alunos, por meio de um questionário respondido por eles e através dos diários de campo das professoras coordenadoras do projeto. Evidenciou-se que não existem receitas prontas no processo de docência e que esse se faz na articulação entre a teoria e a prática desde que o professor esteja aberto a aprendizagem.
Pengaruh Open Banking berbasis Open API terhadap Eksistensi Perbankan
Authors: Muqorobin Masculine Muhammad , Anggraini Ayu , Rahmawati Ayu Dwi , Yohanes Diana , Ifkarina Faricha Dzakia
Published: April 2022

Open Banking is a system that provides financial institution network data to users through an API (application programming interface). Open API gives API providers the right or ability to provide consumer data access to API users with consumer consent. This study aims to determine the readiness of banks in Indonesia to implement Open Banking based on Open API. The method used is a qualitative phenomenological approach by collecting various data, analyzing, and describing the results of the analysis. The results of this study indicate that Indonesia can implement Open Banking based on the Open API by conducting an assessment of countries that have implemented it such as the UK, in order to encourage digital progress in the Banking industry so as to create connectivity between banks and Payment System Service Providers (PJSP) through open Banking.
Content Learning through Languaging: Translingual Practices in a Graduate-level Teacher Preparation EMI Course in South Korea
Authors: Kim Hyunjin Jinna , Lee Yong-Jik , Li Yue
Published: April 2022

A shift in the global teacher education landscape has led to an increase in the number of teacher candidates from all over the world seeking out degree-granting programs in non-Western, Asia-Pacific countries, including South Korea. While teacher education programs in Asia-Pacific countries are accepting more teacher candidates from abroad, few studies have examined teacher education practices and their effectiveness in this context and whether they prepare teachers to deal with the diversifying student population worldwide. While many higher education institutions in Asia-Pacific countries use English as a medium of instruction (EMI) in response to the increasing number of students from abroad, research contends that high-quality learning opportunities for these students are limited. This study explored alternative approaches to facilitating teacher candidates' acquisition of content knowledge and promoting fluid stances in languaging. The purpose of this study was to examine international teacher candidates' content learning and languaging experiences in a graduate-level multicultural education course that employed EMI and translingual practices. Data collection consisted of two questionnaires, and individual in-depth interviews in the 2021 fall semester (September to December). Study results report the impact of EMI and translingual practices on prospective teachers' content and language acquisition, as well as their evolving perceptions of bilingualism and multicultural education. Implications for research and teacher education practice are discussed.