bluuebunny/crossref_metadata_2025 huggingface dataset:
Ortaokul Öğrencilerinin Artırılmış Gerçeklik Uygulamalarının Eğitimde Kullanımına Yönelik Tutumları: Siirt İli Örneği
Authors: RAMAZANOĞLU Mehmet , SOLAK Mehmet Şahin
Published: July 2020

Bu çalışmanın amacı, ortaokul öğrencilerinin artırılmış gerçeklik uygulamalarının eğitimde kullanımına yönelik tutumlarını incelenmesidir. Çalışmada karma model yöntemlerinden eşzamanlı üçgenleme tasarım kullanılmıştır. Çalışma katılımcılarını, 2018-2019 eğitim-öğretim yılında Siirt ilinde bulunan bir ortaokulun 6. sınıfında öğrenim gören 44 öğrenci oluşturmaktadır. Çalışma gurubunun seçiminde uygun örnekleme yöntemi kullanılmıştır. Nicel bölümde çalışmaya katılanların artırılmış gerçeklik uygulamalarına karşı tutumlarının belirlenmesi için “Artırılmış Gerçeklik Uygulamaları Tutum Ölçeği” kullanılmıştır. Nitel bölümde ise yarı yapılandırılmış görüşme formu kullanılmıştır. Verilerin analizi için SPSS 21 programı ve betimsel analiz yöntemi prosedürleri uygulanmıştır. Elde edilen verilerin sonucunda artırılmış gerçeklik uygulamalarının eğitimde kullanımına yönelik ortaokul öğrencilerinin tutum düzeylerini olumlu yönde etkilediğini ve görüşlerinin olumlu olduğu bulunmuştur. Çalışmada öğrencilerinin artırılmış gerçeklik uygulamalarının eğitimde kullanımına yönelik kullanma kaygılarının azaldığını ve kullanma isteklerinin arttığı sonucuna varılmıştır. Öğrencilerin artırılmış gerçeklik uygulamalarının eğitimde kullanımına yönelik kullanma memnuniyetlerinin arttığı, ancak istatiksel olarak anlama bulunmamıştır. Çalışmada hem erkek öğrencilerin hem de kadın öğrencilerin artırılmış gerçeklik uygulamalarının eğitimde kullanıma ilişkin tutum düzeylerinin aynı seviyede olduğu görülmüştür.
Short Run Macroeconomic Factors Affecting Car Sales in Proton
Authors: Mohd Zain Zahariah , Abd Rahim Lina Nadia , Mohamed Thaheer Ahmad Shazeer , Samsudin Amira Natasha
Published: July 2020

Malaysia had committed to be an automotive-producing country through the establishment of Proton in the year 1983. Since then, Proton has been quite a significant contributor to the Malaysian economy. People are influenced to purchase cars due to a number of factors; and these factors are studied in this research. This paper aims to identify the relationship between the macroeconomic indicators and the sales volume of cars in Malaysia. In achieving the objective, the study used secondary data gathered from Internet search, journals, and government agencies, which were then analyzed using descriptive statistic, correlation analysis, and multiple regression statistic. The result of the study shows that inflation and unemployment contribute significantly to the volume of car sales for Proton. On the other hand, gross domestic product (GDP) and interest rate do not have significant impact on the sales volume. These findings will provide Proton with valuable insights about which factors are the most influential, so they could strategize accordingly.
Influencing Factors in Dietary Supplement Consumption among University Students
Authors: Abdul Aziz Nor Intan Shamimi , Mohamed Shafii Nurul Fazira , Azizam Nor Azmaniza , Dzulkiply Mohd Redhuan
Published: July 2020

In recent years, there has been an increasing interest in consuming dietary supplements which believed to promote a healthy lifestyle among generations. However, lack of knowledge and peer pressure can be the problems despite its long success. Thus, the aim of this study is twofold; i) to assess the sociodemographic information among the students on taking dietary supplements and ii) to examine the influencing factors that lead to dietary supplements consumption among undergraduate students in Selangor, Malaysia. Findings explained through equal distribution of survey between faculties, a majority of female students (72.5%) participated in this study compared to male students (27.5%) with both genders are in a good health condition (60.6%) and having normal BMI reading (65.3%). All the factors such as the perception of knowledge (r = 0.387), lifestyle behaviour (r = 0.541) and efficacy of the supplements (r = 0.548) indicate a moderate positive relationship towards dietary consumption in their daily life, respectively. More health educational talks need to be conducted in future to increase knowledge among university students. Future recommendations are drawn through the suggestion of reassessing other factors that lead to the DS consumption through qualitative method analysis.
The Effects of Perceived Usefulness and Perceived Ease of Use on Acceptance towards Office Assistance Application among Employers to Disabled Employees
Authors: Hafit Nor Intan Adha , Othman Nor Azairiah Fatimah , Rusdi Syezreen Dalina , Mahpar Nurul Salizawatee , Mat Sharie Mohd Fariq Izmeer
Published: July 2020

Employment among people with disabilities remains debatable. This paper investigates employers' points of view towards accepting technological assistance for employees with disabilities at the workplace. Specifically, this paper examines the effects of perceived usefulness and perceived ease of use on acceptance towards Office Assistance Application among employers to disabled employees. Acceptance towards any technology has been broadly tested using Davis' Technology Acceptance Model (TAM). To prove if that is the case or not for Office Assistance Applications within the context of employers to employees with disabilities, this research was undertaken to affirm the past research. Data was collected via online questionnaires from 35 employers to Micro Enterprises organization. 6 of surveyed employers were current employers to disabled workers, 18 employers affirmed interest to employ PWDs in the future with 9 employers asserted no interest to hire disabled workers. Data was analysed using Partial Least Square Structural Equation Modelling (PLS-SEM). The result showed two hypotheses were supported evidencing positive and significant relationship between perceived ease of use and perceived usefulness, and relationship between perceived usefulness and technology acceptance. Findings are useful for employers to improve functions of their disabled workers at the workplace along with increasing employment prospects for people with disabilities.
Determinants of Internationalization of SMEs using Partial Least Square
Authors: Mohd Zain Zahariah , Sani Azurin , Mohamed Thaheer Ahmad Shazeer
Published: July 2020

Internationalization provides various strategic benefits to the SMEs. It might increase the firm’s sales and revenue and be able to sustain in the economy for a longer period. However, the lack of information may become a challenge to the business, thus it is not easy to carry out the internationalization successfully due to limited resources and capabilities. On the other hand, influential factors on SMEs internalization have been discussed in developed countries, yet some developing countries are still struggling for empirical evidence. Some SMEs are facing difficulties in entering the global market as they have zero or less information on it while some of them successfully entered the market and can compete internationally. This indicates that every SMEs has the opportunity to internationalize their goods or services with proper understanding and better information about the global market. Prior studies have been carried out on factors influencing internationalization of SMEs however this study has been done specifically on internationalization of the SMEs in Malaysia. The determinants of internationalization investigated are internal factors, external factors, and networking, using partial least square method. The outcome of this study indicated that external factors, internal factors, and networking do not have any significant relationship with SMEs decision to internationalize.
Influence Cross Membership and Qualifications of The Shari’ah Supervisory Board’s Towards The Shari’ah Compliance related SSB Information
Authors: Fakhruddin Iwan , Jusoh Mohd. Abdullah , Mat Noerwani Norlia
Published: July 2020

The purpose of this paper to analyze the influence of Shari’ah Supervisory Board Cross Memberships and Shari’ah Supervisory Board Qualification toward Shari’ah compliance related SSB information. In addition, this paper also explains the variable firm size as a control variable. The use of control variables so that the influence of SSB on compliance does not depend on other variables. This study reviews the Shari’ah compliance related SSB information as stated in the Accounting and Auditing Organization for Islamic Financial Institutions (AAOIFI) standard, primarily compliance level with AAOIFI standards No 1 and No 5 related to Shari’ah Supervisory Board (SSB). This paper finds that’s the coefficient estimates variable of SSB Cross membership is positive significant at the 10% level. The coefficient estimates on SSB Qualification is negative significant at the 5% level. Furthermore, we also find that the bank size as a control variable has a significant positive effect at 1% level.
El centro de transferencia de cargas – sur (CTC - SUR)
Authors: Goicoechea Eugenia
Published: July 2020

En el presente artículo se analizan las medidas de ordenamiento territorial para el transporte de cargas que el gobierno local viene implementando en los últimos años, particularmente en el sur de la Ciudad de Buenos Aires. Se centra la atención en la experiencia del Centro de Transferencia Logística (CTC) - Sur, como primera iniciativa por concentrar a las empresas del sector en un predio común, estratégicamente localizado en cercanías a las principales vías de comunicación con el puerto y conectado al área metropolitana de Buenos Aires. Medida que, por su parte, se haya en articulación con otras intervenciones y políticas de re-funcionalización y renovación urbana en la zona. En este marco, se describen las etapas de diseño, gestión e implementación de este proyecto urbano, reflexionando especialmente sobre el rol que asume el gobierno local, su articulación con el sector privado y el sentido del desarrollo urbano propuesto.
Factores asociados a la condición física relacionada con la salud en escolares de la ciudad de Dosquebradas Risaralda
Authors: Patiño Palma Brayan Esneider
Published: July 2020

Introducción. La actividad física es un factor de primera magnitud que influye en la salud y la condición física en los adultos; por otra parte, es un determinante del riesgo de mortalidad cardiovascular cuando no se practica de forma regular, además del aumento de la incidencia de obesidad en edades tempranas en países desarrollados, como consecuencia de factores contextuales como currículos escolares, reglas de los padres relativas a la seguridad, limitaciones del ambiente físico, entre otros.  Objetivo. Describir la condición física relacionada con la salud y sus factores asociados en escolares de la ciudad de Dosquebradas, Risaralda, Colombia.  Materiales y Métodos. Estudio de tipo descriptivo transversal, en el cual se calculó una muestra de 339 participantes, matriculados en instituciones educativas públicas y privadas de nivel básico y medio, entre la edad de 12 y 18 años. Se aplica la versión extendida de la batería ALPHA-fitness para evaluar la condición física y una entrevista semiestructurada con la cual se indagó sobre los determinantes sociales de la salud de interés para el estudio. Resultados. El 60% de los escolares evaluados presentaron condición física no saludable en tres de los cuatro componentes que evalúa la batería ALPHA Fitness. Se encuentra significancia estadística (P < 0,05) con el componente muscular y motor, destacando que entre menor sea el nivel educativo del padre en los escolares, estos, tienen entre 1 y 3 veces más posibilidades de tener un nivel no saludable. Conclusiones. Se evidencia una alta prevalencia de condición física no saludable además de como el nivel educativo del padre se relaciona estadísticamente con la condición física evaluada en los escolares de la ciudad de Dosquebradas.
Babesia bovis: Actualidad del desarrollo de una vacuna
Authors: Cuy Chaparro Laura Esperanza , Ricaurte Contreras Laura Alejandra , Camargo Mancipe Anny Jineth , Moreno Pérez Darwin Andrés
Published: July 2020

Introducción. Babesia bovis es el principal agente causal de la babesiosis bovina, una importante enfermedad veterinaria transmitida por garrapatas a nivel mundial. Las estrategias convencionales para controlar esta parasitosis han presentado múltiples limitaciones por lo que el desarrollo de una vacuna basada en antígenos representa una estrategia apropiada para la prevención y el tratamiento. Objetivo. Describir los aspectos relevantes del ciclo de vida del parásito B. bovis, la epidemiología, diagnóstico y la aplicación de diferentes estrategias usadas para controlar esta parasitosis. Además, se discuten potenciales puntos de intervención para desarrollar una vacuna contra este parásito. Metodología. Se realizó una búsqueda en las bases de datos usando los términos: “Babesia bovis AND lyfe cycle”, “B. bovis vaccine and Vaccine candidates”, entre otras. Los estudios con mayor pertinencia publicados hasta la actualidad se revisaron completamente. Resultados: Los detalles de la biología de parásito B. bovis y el proceso molecular usado para ocasionar la enfermedad en el hospedador son poco conocidos, lo que explica que el desarrollado de estrategias para el control de esta parasitosis no hayan sido del todo eficientes. Por lo tanto, se requiere diseñar nuevas medidas, por ejemplo, desarrollar vacunas de nueva generación basadas en un enfoque funcional que permitan mejorar las condiciones de sanidad animal. Conclusiones. Comprender el complejo ciclo de vida de B. bovis permitirá estudiar las interacciones huésped-parásito-garrapata e identificar moléculas implicadas en la adhesión/invasión celular para evaluar su utilidad como componente de una vacuna que controle esta parasitosis.
Revisión de estudios pre-clínicos de candidatos a vacuna contra la malaria causada por Plasmodium falciparum
Authors: Camargo Mancipe Anny Jineth , Diaz Arévalo Diana , Salamanca David Ricardo , Chaparro Laura Esperanza Cuy , Mancipe Diego Fernando Camargo
Published: July 2020

Introducción. La malaria es una enfermedad que causa aproximadamente 400.000 muertes al año, especialmente en niños menores de 5 años; la búsqueda de una vacuna eficaz y segura sigue siendo un reto para los investigadores, sin embargo, antes de iniciar los estudios de fase clínica, los ensayos preclínicos en modelo animal deben brindar resultados de seguridad e inmunogenicidad que lleven a respuestas eficaces de protección. Objetivo. Revisar las principales características de la respuesta inmunológica y eficacia en estudios pre-clínicos de candidatos a vacuna contra la malaria por Plasmodium falciparum. Métodos. Revisión descriptiva de los principales estudios preclínicos de candidatos a vacuna contra la malaria, basados en subunidades, parásitos atenuados y vacunas multi-estadio, multi-epitope, que se han realizado para evaluar inmunogenicidad  y eficacia en modelo animal. Esta revisión se llevó a cabo a partir de la búsqueda de literatura en bases de datos electrónicas especializadas en investigación científica. Se encontraron 118 documentos, de los cuales se seleccionaron 91 y se excluyeron 17 por no cumplir con los criterios de inclusión, para un total de 74 referencias analizadas. Resultados. Muchos candidatos a vacuna contra la malaria causada por Plasmodium falciparum han reportado resultados prometedores contra cepas homologas, sin embargo, ante el reto con cepas heterólogas la eficacia disminuye, por otra parte, la respuesta inmune y protectiva duradera continúa siendo un objetivo clave, convirtiéndose en una prioridad. Conclusiones. Los estudios preclínicos en modelo animal son necesarios antes de avanzar a fases clínicas, la evaluación de inmunogenicidad y eficacia es un aspecto esencial para la evaluación de candidatos a vacuna.
FATTY ACIDS AND PHYSIOLOGICAL RESPONSES OF CORN LEAVES EXPOSED TO HEAVY METALS
Authors: KISA Dursun , Öztürk Lokman , Sağlam Necdettin , Kayir Ömer , Elmastaş Mahfuz
Published: July 2020

Heavy metals affect biochemical pathway by changing the fatty acid composition in plant cells. The high concentration of heavy metals impresses biochemical pathway and changes fatty acid compositions of plant cells. Fatty acids participate in various biological processes and have the functional role in regulating membrane functions in plants. In the present study, heavy metal content was analyzed with ICP-MS, fatty acid composition was investigated with GC and physiological parameters were determined with spectrophotometrically in the leaves of tomato subjected to increasing doses of heavy metals. In this study, the treatment of heavy metals on the growth medium changed the fatty acid contents of corn. The application of Cu significantly increased the level of palmitic acid and oleic acid. The treatment of Pb raised the content of oleic acid, whereas it significantly decreased the content of α-linolenic acid and erucic acid at 20 and 50 mg kg–1, respectively. The addition of Cd significantly increased the level of oleic acid and linoleic acid; however, it significantly decreased the content of α-linolenic acid and erucic acid. Cu and Pb significantly raised the proline content. The application of Cu and Cd showed similar effect on hydrogen peroxide and the higher doses of them increased the content of H2O2. The level of lipid peroxidation significantly increased in response to all applied concentration of Cu. The results obtained in this study show that the aapplication of heavy metals changed the content of fatty acids, particularly that of oleic acid significantly increased in response to them. The levels of proline and lipid peroxidation generally increased together with oleic acid and palmitic acid in the leaves in reply to copper.
EFFECTS OF INTERCROPPING SYSTEM AND NITROGEN FERTILIZATION ON LAND EQUIVALENT RATIO, YIELD AND MINERAL CONTENT OF BROCCOLI
Authors: Yildirim Ertan , Cil Büsra , Ekinci Melek , Turan Metin , Dursun Atilla , Gunes Adem , Kul Raziye , Kitir Nurgul
Published: July 2020

To determine effects of intercropping broccoli with onion and their correspondence to different nitrogen concentrations on growth, yield and nutrient contents, field studies were conducted for two years. In intercropping plots, onion sets were planted between broccoli rows. Broccoli and onion plants were also grown as monocrops. Nitrogen was applied at three different rates (160, 200 and 240 kg ha–1) in both mono and intercrop plots of broccoli. The overall efficiency of intercropping was evaluated by employing land equivalent ratios (LERs). Cropping systems significantly did not affect chlorophyll reading value, yield and other parameters observed. However, nitrogen application rate had significant effect on these parameters. The highest values of these parameters were generally observed in 240 kg ha–1 nitrogen application. Macro and microelement content of broccoli leaves was affected neither by cropping systems nor by nitrogen fertilization except for N, Mn, Zn and NO3. Intercropping increased plant height but decreased the plant diameter of onion. There wasn’t significant decrease in plant weight of intercropped onion at 240 kg ha–1 nitrogen treatment when compared to monocropping. Broccoli intercropped with onion at 240 kg ha–1 nitrogen had the highest LER values, showing that intercropping practice could be more productive than monocropping especially in case of 240 kg ha–1 nitrogen application.
Ranking of Bioresources for Biogas Production
Authors: Bumbiere Ketija , Gancone Agita , Pubule Jelena , Kirsanovs Vladimirs , Vasarevicius Saulius , Blumberga Dagnija
Published: July 2020

Production of biogas using bioresources of agricultural origin plays an important role in Europe’s energy transition to sustainability and to a climate-neutral economy. The usage of some substrates like maize has been increasingly denounced in the last years and there is currently an active discussion about future subsidies to biogas producers depending on the substrate used. The aim of this study is to compare and rank different substrates for biogas production considering their economic feasibility, substrate efficiency and environmental aspects. During the research, eight substrates were evaluated: cattle manure, pig manure, poultry manure, straw, wood, maize silage, waste, and sewage sludge. In order to reach the research goal, multi-criteria analysis using TOPSIS methodology was applied to objectively determine which of the substrates considered would be the most suitable for biogas production in Latvia. The results obtained showed that pig manure is the most suitable raw material for biogas production in Latvia, while poultry manure was ranked second, with little difference in value from pig manure.
An Initial Value Problem Involving Caputo-Hadamard Fractional Derivative: The Extremal Solutions and Stabilization
Authors: Donal O'Regan , Hoa Ngo Van
Published: July 2020

In this paper, the existence of extremal solutions of Caputo-Hadamard-type fractional differential equations (CHFDEs) with order $\alpha \in (1,2)$ is established by employing the method of lower and upper solutions. Moreover, sufficient condition that ensures the stability of a class of CHFDE is also provided. Some examples are given to illustrate our main results. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium provided the original work is properly cited.
Зонирование Ростовской области по количественной представленности семейств краснокнижных растений
Authors: СТАРУН Т.Н. , НИКУЛИН И.А. , ВОСКОБОЙНИКОВА И.В.
Published: July 2020

Целью данного исследования является анализ распределения видов и семейств краснокнижных растений по территории Ростовской области. В ходе работы было установлено, что местообитания данных растений распределены в пределах области неравномерно.

В результате исследований проведено выделение местообитаний видов и семейств растений, включенных в Красную книгу Ростовской области по административным районам. Установлено, что встречаемость краснокнижных видов из семейств Iridaceae, Hyacinthaceae, Paeoniaceae – наибольшая, местообитания данных растений зафиксированы во всех пяти зонах Ростовской области. Минимальной встречаемостью обладают виды, из 15 семейств: Melanthiaceae, Primulaceae, Balsaminaceae, Polygalaceae, Cyperaceae, Cleomaceae, Rutaceae, Araceae, Limoniaceae, Zannichelliaceae, Nitrariaceae, Droseraceae, Menyanthaceae, Dipsacaceae, Frankeniaceae. Их представители имеют местообитания только в одной из пяти зон.

Предложено объединение районов Ростовской области по представительству семейств краснокнижных растений с выделением зон. Шкала зонирования выглядит следующим образом: 1 зона - очень большое количество семейств - 21 и более; 2 зона большое количество – от 10 до 20 семейств; 3 зона среднее – от 6 до 9 семейств; 4 зона - малое количество – от 3 до 5; 5 зона - очень малое – 2 и менее семейств. Составлена карта зонирования районов Ростовской области по представительству семейств краснокнижных растений.

The purpose of this study is to analyze the distribution of species and families of red book plants in the Rostov region. In the course of the work it was found that the habitats of these plants are distributed unevenly within the region.

As a result of researches allocation of habitats of the species and families of plants included in the Red book of the Rostov region on administrative areas is carried out. It was found that the occurrence of red book species from the families of Iridaceae, Hyacinthaceae, Paeoniaceae – the largest, habitats of these plants are recorded in all five zones of the Rostov region. The species of 15 families have minimal occurrence: Melanthiaceae, Primulaceae, Balsaminaceae, Polygalaceae, Cyperaceae, Cleomaceae, Rutaceae, Araceae, Limoniaceae, Zannichelliaceae, Nitrariaceae, Droseraceae, Menyanthaceae, Dipsaceae, Frankeniaceae. Their representatives have habitats in only one of the five zones.

The Association of districts of the Rostov region on representation of families of red book plants with allocation of zones is offered. Zoning scale is as follows: 1 zone - a very large number of families - 21 or more; 2 zone a large number – from 10 to 20 families; 3 zone average – from 6 to 9 families; 4 zone - a small number – from 3 to 5; 5 zone - very small – 2 or less families. A map of zoning areas of the Rostov region on the representation of families of red book plants.
Crystal structure and non-hydrostatic stress-induced phase transition of urotropine under high pressure
Authors: Gunka Piotr , Olejniczak Anna , Fanetti Samuele , Bini Roberto , Collings Ines E. , Svitlyk Volodymyr , Dziubek Kamil F.
Published: July 2020

High-pressure behavior of hexamthyleneteramine (urotropine) was studied in situ using angle-dispersive single-crystal synchrotron X-ray diffraction (XRD) and Fourier transform infrared absorption (FTIR) spectroscopy. Experiments were conducted in various pressure transmitting media (helium and neon for XRD, nitrogen and KBr for FTIR experiments) to study the effect of deviatoric stress on phase transformations. Contrary to As4O6 arsenolite, a material of similar cage-like molecular structure, no pressure-induced helium penetration into the crystal structure was observed. Instead, two pressure-induced structural changes are observed. The first one is suggested by the following occurrences: (i) gradual quenching of the magnitudes of atomic displacement parameters, (ii) diminishing libration contribution to the experimental C−N bond length, (iii) discontinuity in calculated IR-active vibrational modes and (iv) asymptotically vanishing discrepancy between the experimental and DFT‑calculated unit cell volume. All these features reach a plateau at ~4 GPa and can be attributed to a damping of molecular librations and atomic thermal motion, pointing to the existence of a second-order isostructural phase transition. The second transformation, with an onset at ~12.5 GPa is a first-order phase transition to a tetragonal structure, characterized by sluggish kinetics and considerable hysteresis upon decompression. However, it occurs only in non-hydrostatic conditions, induced by a deviatoric stress in the sample. This behavior finds analogies in similar cubic crystals built of highly symmetric cage-like molecules and may be considered a common feature of such systems. Last but not least, it is worth noting successful Hirshfeld atom refinements, carried out for the incomplete high-pressure diffraction data up to 14 GPa, yielded more realistic C−H bond lengths than the independent atom model.
Basis Set Extrapolations for Density Functional Theory
Authors: Kraus Peter
Published: July 2020

Improving results of correlated wavefunction theory calculations by extrapolating from successive basis sets is nowadays a common practice. However, such approaches are uncommon in density functional theory, especially due its faster convergence towards the basis set limit. In this work I present approaches for basis set extrapolation in density functional theory that enable users to obtain results of 4-zeta quality from 3- and 2-zeta calculations, i.e. at a fraction of the computational cost. The extrapolation techniques work well with modern density functionals and common basis sets.
Non-Covalent Interactions Atlas Benchmark Data Sets 2: Hydrogen Bonding in an Extended Chemical Space
Authors: Řezáč Jan
Published: July 2020

The Non-Covalent Interactions Atlas (www.nciatlas.org) aims to provide a new generation of benchmark data sets for non-covalent interactions. The HB300SPX data set presented here extends the coverage of hydrogen bonds to phosphorus, sulfur and halogens up to iodine. It is again complemented by a set of dissociation curves, HB300SPX×10. The new data make it possible to analyze the transferability of the parametrization of e.g. dispersion corrections for DFT from simple organic molecules to a broader chemical space. The HB300SPX×10 has also been used for the extension of the parametrization of hydrogen-bonding corrections in the semiempirical PM6-D3H4X and DFTB3-D3H5 methods to additional elements.
Homochirality Is Originated from Handedness of Helices
Authors: Liu Shubin
Published: July 2020

Homochirality is a common feature of amino acids and carbohydrates, whose origin is still unknown. For example, 19 of 20 natural amino acids are L-chiral but deoxyribose sugars in DNA are always D-chiral. Meanwhile, right-handed helices are ubiquitous in nature. Are these two phenomena intrinsically correlated? Here, we propose that homochirality of amino acids and nucleotide sugars is originated from the handedness of helices. We show that right-handed 310-helix and alpha-helix favor the L-chiral form for amino acids, but for deoxyribose sugars right-handed helices prefer the D-chiral form instead. Our analyses unveil that there exist strong cooperativity effects dominated by electrostatic interactions. This work not only resolves the mystery of homochirality by providing a unified explanation for the origin of homochirality in proteins and DNA using helical secondary structures as the root cause, but also ratifies the Principle of Chirality Hierarchy, where chirality of a higher hierarchy dictates that of lower ones. Possible applications of the present work to asymmetric synthesis and macromolecular assembly are discussed.
Nanospray Desorption Electrospray Ionization (nano-DESI) Mass Spectrometry Imaging of Drift Time-Separated Ions
Authors: Unsihuay Daisy , yin ruichuan , Sanchez Daniela Mesa , Li Yingju , Sun Xiaofei , Dey Sudhansu , Laskin Julia
Published: July 2020

Simultaneous spatial localization and structural characterization of molecules in complex biological samples currently represents an analytical challenge for mass spectrometry imaging (MSI) techniques. In this study, we describe a novel experimental platform, which substantially expands the capabilities and enhances the depth of chemical information obtained in high spatial resolution MSI experiments performed using nanospray desorption electrospray ionization (nano-DESI). Specifically, we designed and constructed a portable nano-DESI MSI platform and coupled it with a drift tube ion mobility spectrometer-mass spectrometer (IM-MS). Separation of biomolecules observed in MSI experiments based on their drift times provides unique molecular descriptors necessary for their identification by comparison with databases. Furthermore, it enables isomer-specific imaging, which is particularly important for unraveling the complexity of biological systems. Imaging of day 4 pregnant mouse uterine sections using the newly developed nano-DESI-IM-MSI system demonstrates rapid isobaric and isomeric separation and reduced chemical noise in MSI experiments. A direct comparison of the performance of the new nano-DESI-MSI platform operated in the MS mode with the more established nano-DESI-Orbitrap platform indicates a comparable performance of these two systems. A spatial resolution of better than ~16 µm and similar molecular coverage was obtained using both platforms. The structural information provided by the ion mobility separation expands the molecular specificity of high-resolution MSI necessary for the detailed understanding of biological systems.
Radiation Reduction of Carbon Dioxide: A New Chemical Industry?
Authors: Livingston Peter
Published: July 2020

A novel approach to use waste radiation from spent fuel rods to reduce carbon dioxide to produce various feedstock chemicals for the chemical industry.The basic radiochemistry has been known for at least four decades. The novel element is how this all can be accomplished safely using spent-fuel assembly radiation. The latter is carbon footprint-free and the product materials are also very pure. There is no residual contamination requiring expensive 'clean-up' unlike chemical industry feedstocks produced by the petrochemical industry.
The Photoswitch Dataset: A Molecular Machine Learning Benchmark for the Advancement of Synthetic Chemistry
Authors: Thawani Aditya Raymond , Griffiths Ryan-Rhys , Jamasb Arian , Bourached Anthony , Jones Penelope , McCorkindale William , Aldrick Alexander , Lee Alpha
Published: July 2020

The space of synthesizable molecules is greater than $10^{60}$, meaning only a vanishingly small fraction of these molecules have ever been realized in the lab. In order to prioritize which regions of this space to explore next, synthetic chemists need access to accurate molecular property predictions. While great advances in molecular machine learning have been made, there is a dearth of benchmarks featuring properties that are useful for the synthetic chemist. Focussing directly on the needs of the synthetic chemist, we introduce the Photoswitch Dataset, a new benchmark for molecular machine learning where improvements in model performance can be immediately observed in the throughput of promising molecules synthesized in the lab. Photoswitches are a versatile class of molecule for medical and renewable energy applications where a molecule's efficacy is governed by its electronic transition wavelengths. We demonstrate superior performance in predicting these wavelengths compared to both time-dependent density functional theory (TD-DFT), the incumbent first principles quantum mechanical approach, as well as a panel of human experts. Our baseline models are currently being deployed in the lab as part of the decision process for candidate synthesis. It is our hope that this benchmark can drive real discoveries in photoswitch chemistry and that future benchmarks can be introduced to pivot learning algorithm development to benefit more expansive areas of synthetic chemistry.
Bright AIE Nanoparticles for Two-Photon Imaging and Localized Compound Therapy of Cancers.pdf
Authors: Li Ying , Tang Rongbing , Liu Xiaoyan , Gong Junyi , Zhao Zujin , Sheng Zonghai , Zhang Jiangjiang , Li Xuanyu , Niu Guangle , Tsz Kin Kwok Ryan , Zheng Wenfu , Jiang Xingyu , Tang Ben Zhong
Published: July 2020

Photodynamic therapy (PDT) is a non-invasive therapeutic strategy for cancer treatment but it always suffers from low reactive oxygen species (ROS) efficiency generated from traditional organic dyes owing to weak absorption in the optical transparent window of biological tissues and fluorescence quenching at a concentrated solution or in nanoparticles. Herein, we present cationic lipid-encapsulated aggregation-induced emission (AIE) nanoparticles (NPs) that have a high quantum yield (23%) and a maximum two-photon absorption (TPA) cross-section of 560 GM irradiated by near infrared light (800 nm). The AIE NPs can serve as imaging agents for spatiotemporal imaging of tumor tissues with a penetration depth up to 505 µm on mice melanoma model. Noteworthy, the AIE NPs can efficiently generate singlet oxygen (1O2) and highly toxic hydroxyl radicals (·OH) upon 800 nm-light irradiation for photodynamic tumor ablation. In addition, the AIE NPs can be effectively cleared from the mouse body after the imaging and therapy. This study provides a new strategy to develop theranostic agent for cancer image-guided PDT with high brightness, superior photostability and high biosafety
Applying the quasi-steady-state approximation to the autocatalytic zymogen activation: A novel general methodology for scaling analysis
Authors: Eilertsen Justin , Tyczynska Malgorzata , Schnell Santiago
Published: July 2020

A zymogen is an inactive precursor of an enzyme that needs to go through a chemical change to become an active enzyme. The general intermolecular mechanism for the autocatalytic activation of zymogens is governed by the single-enzyme, single-substrate catalyzed reaction following the Michaelis-Menten mechanism of enzyme action, where the substrate is the zymogen and the product is the same enzyme that is catalyzing the reaction. In this article we investigate the nonlinear chemical dynamics of the intermolecular autocatalytic zymogen activation reaction mechanism. In so doing, we develop a general strategy for obtaining dimensionless parameters that, when sufficiently small, legitimize the application of the quasi-steady-state approximation. Our methodology combines energy methods and exploits the phase-plane geometry of the mathematical model, and we obtain sufficient conditions that support the validity of the standard, reverse and total quasi-steady-state approximations for the intermolecular autocatalytic zymogen activation reaction mechanism. The utility of the procedure we develop is that it circumnavigates the direct need for a priori timescale estimation, scaling, and non-dimensionalization. At the same time, a novel result emerges from our analysis: the discovery of a dynamic transcritical bifurcation that exists in the singular limit of the model equations. Moreover, associated with the dynamic transcritical bifurcation is an imperfect term. We prove that when the imperfect term vanishes and the singular vector field is perturbed, there exists a canard that follows a repulsive slow invariant manifold over timescales of O(1). This is the first report of such a solution for the intermolecular and autocatalytic zymogen activation reaction. By extension, our results illustrate that canards also exist in the classic single enzyme, single-substrate reversible Michaelis-Menten reaction mechanism.
Comparison of efficacy of biogenic silver nanoparticles using ficus species
Authors: Vishal N Kushare  , Roshan K Pawar  , Sagar V Ghotekar  , Pritishchandra S Kabra
Published: July 2020

Current trends in the science and medicine is the advent of nano technology. This technology had been in application in the traditional systems of medicine like Ayurveda and Siddha. They adopt this techonology by preparing the nano particles of heavy metals like mercury, gold, silver etc. and use those formulations effectively in curing diseases. Out of the metals that are available to use in medicine, Silver stands as a important and safest yet potent metal that is made as nano particles. It is evident from history that silver is being used as nano particle. It prevents infections and kills microbes and helps store food like milk, wine and vinegar for longer periods. Apart from the electronic and technological application of the nano particles, the pharmaceutical and medical application of the same had been under development. This research will focus on the comparision of the ficus plants like; Ficus religiosa, Ficus benghalensis, Ficus microcarpa, Ficus hispida, Ficus trigona and Ficus citrifolia extracts on the synthesis of the silver nano particles and their antibacterial property.
Underlying antioxidant activity in the anticonvulsant potency of polyherbal tonic
Authors: Bhavani J  , Ravichandran S
Published: July 2020

Convulsions are the commonest of the symptoms that prevail in the most of the diseases that affect the human nervous system. Almost 1% of the world’s population now suffer from epilepsy as a long-term disease and had been on medication for an extended period of time. There are many investigations and theories advocating that the elevated enzyme activity in the brain and their inability to protect the brain from the free radical generation and normalization will lead to convulsions and seizures. There were investigations that the free radicals were counter acted by the protective enzymes in the brain there by preventing the convulsions. So with this assertion, the enzyme levels of the brain are an indicative for the estimation of the antioxidant extent and there by convulsant activity in the brain. In the current work, the prepared polyherbal tonic was investigated for the antioxidant activity by giving special emphasis to the antiepileptic activity of the herbs used in the tonic. The results proved that the prepared tonic was effective in normalizing the altered levels of enzymes and thereby proving that the antioxidant potency of the herbs helped in displayed the antiepileptic activity too. the tonic was effective at higher dose compared to low dose which shows a dose based antiepileptic activity.
Positive Aspects of COVID 19 Pandemic: A Blessing in Disguis
Authors: Anjankar Ashish P  , Anjankar Vaibhav P  , Anjankar Anil J  , Kanyal Lata
Published: July 2020

COVID 19 is undeniably one of the deadliest diseases that humanity has ever seen. It continues to affect the lives and livelihood of people appallingly across the world. Maximum discussions focus towards the apprehension of catching the infection, dwelling in homes, overpopulated nursing homes and shut down of all kinds. But, here let’s discuss the positive side of COVID 19 pandemic.As COVID 19 has spread its influence all over the world, affected countries have either announced lockdown or have implemented severe restrictions in their respective countries. Because of this, everyone dwells in their homes. Thus, exercising social distancing and functioning from home. All of the above is directed at restricting the transmission of coronavirus and expectantly ostracising the fatality from COVID 19. These transformations have also brought about some unanticipated emanations; some good things have come out of the pandemic as well. Positive effects of COVID 19 are seen on reduced road traffic, and road traffic accidents lowered levels of air pollution which has to lead to lowered heart attack rates and rejuvenating environment. Crime rates have fallen, and expenses are reduced in most places. Community action, communication amongst families, behaviour, sanitation, hygiene, online and distance education has positively impacted by COVID 19 pandemic. COVID 19 despite a bane for humans, can be thought of a boon for living beings. The habitats and elements have been purified with the stringent use of petrochemical products. To breathe fresh air and to consume purified water is a boon by itself. Now, it is time for humans to lead a caring life to every bounty bestowed on them by Nature. This thoughtful and considerate life will give hope for a healthy, stress-free life.
From funding liquidity to market liquidity: Evidence from the index options market
Authors: Zhang Cheng , Liu Chunbo , Zhou Zhiping
Published: July 2020

This study examines the relationship between funding liquidity and market liquidity using daily data on the S&P 500 index options. We find that options market liquidity is positively correlated with funding liquidity after controlling for market uncertainty. Further analysis reveals that the positive relationship between funding liquidity and market liquidity in the options market is mainly driven by short‐term and deep out‐of‐the‐money options. Our results remain robust after controlling for the confounding effects of the equity market and different data frequencies.
Otonom Kara ve Hava Araçları ile Akıllı Tarım: Hasat Optimizasyonu Üzerine Bir Uygulama
Authors: GÜZEY Alparslan , AKINCI Mehmet Mutlu , ALTAN Şenol
Published: July 2020

Günümüzde tarım sektörü yeni şirketler ve yatırımcılarla bir yüksek teknoloji endüstrisi haline gelmektedir. Teknolojinin hızlı gelişmesi sadece çiftçilerin üretim yeteneklerini geliştirmeyip, robotik ve otomasyon teknolojisini de geliştirmektedir. Çiftçiler artık hasat toplamada otonom hava araçları ve robotlar kullanarak üretim verimlerini artırmaktadırlar. Bu çalışmada, birbirleriyle iletişim halinde otonom insansız hava ve kara araçlarına tarım arazisinde hedefleri daha önceden belirlenmiş elmaların zaman minimizasyonu ile hasat toplatılması amaçlanmıştır. Mevcut çalışılan problemin çok büyük olmasından dolayı süre optimizasyonu yapılması amacıyla ana problem küçük alt problemlere bölünerek çözülmüştür. Kara araçlarının duraklarının yerlerinin belirlenmesi ve bu yerlerin belirlenme işlemini çözümlemek için k-ortalama kümeleme yönteminden yararlanılmıştır. Hesaplamalar için ise Julia programlama dili kullanılmıştır. Çalışmada örnek olarak toplatılması düşünülen 500 elma için optimal durak sayısı 3 olarak bulunmuştur. Her bir durakta hava araçlarının elma toplama sürelerini optimize etmek için hazırlanan model ise Gurobi çözücüsü yardımıyla çözümlenip sonuçlara ulaşılmıştır. Çalışmanın sonucunda kara aracının her bir durakta ortalama bekleme süresi yaklaşık 439 sn olarak elde edilmiştir.
Today, the agricultural sector is becoming a high-tech industry with new companies and investors. Rapid development of technology not only improves farmers' production capabilities, but also improves robotics and automation technology. Farmers are now increasing their production efficiency by using autonomous aircraft and robots in harvesting. In this study, it is aimed to collect the harvest by the time minimization of the previously determined apples in the agricultural land in communication of autonomous unmanned aerial and ground vehicles. Due to the fact that the current problem is very large, the main problem is solved by dividing it into small sub-problems in order to make time optimization. K-means clustering method was used to determine the locations of the ground vehicles' stops and to analyze it. Julia programming language is used for calculations. In the study, the optimal number of stops for 500 apples was found to be 3. The model prepared to optimize the apple picking times of air vehicle at each stop was resolved with the help of the Gurobi solvent and the results were achieved. As a result of the study, the average waiting time of the ground vehicle at each stop was approximately 439 seconds.
ПРОГРЕССИВНЫЕ МЕТОДЫ ОБРАБОТКИ ДЕТАЛЕЙ АВИАЦИОННЫХ ДВИГАТЕЛЕЙ ИЗ КОМПОЗИЦИОННЫХ МАТЕРИАЛОВ НА АО «МОТОР СИЧ»
Authors: Boguslaev V. A. , Zhemanjuk P. D. , Mozgovoj V. F. , Balishok K. B. , Panasenko V. A.
Published: July 2020

Представлены технологические новации, разработанные и внедрённые в производство на АО «Мотор Сич» для обработки изделий из полимерных композиционных материалов. Представлен краткий анализ проблем механической обработки полимерных композиционных материалов. Показаны производственные решения некоторых проблем механической обработки полимерных композиционных материалов, разработанные на АО «Мотор Сич».
УкрНИИАТ ПРОДОЛЖАЕТ ДИНАМИЧНО РАБОТАТЬ В СЛОЖНОЙ СФЕРЕ НАУКОЁМКОГО КОНСАЛТИНГА
Authors: Krivov G. A.
Published: July 2020

Представлено (очередное) пятилетнее обобщение результатов деятельности АО «Украинский научно-исследовательский институт авиационной технологии» (УкрНИИАТ), посвященное юбилейной дате со дня основания. Традиционно рассматривается современное состояние украинской наукоёмкой индустрии в сравнении с прошедшими периодами времени и в контексте основных трендов развития мирового авиастроения.Деятельность УкрНИИАТ представляется наиболее значимыми проектами и результатами, которые в течение рассматриваемого пятилетнего периода в основном определили современный облик института в современной фазе его жизненного цикла.Даны укрупнённые прогнозы в отношении ожидаемых перспективных бизнес-процессов УкрНИИАТ в условиях позитивных трендов развития украинского самолетостроения.
АДАПТИВНА СИСТЕМИ КЕРУВАННЯ ВІДРИВНИМИ ТЕЧІЯМИ В СТУПЕНЯХ ОСЬОВИХ ВЕНТИЛЯТОРІВ
Authors: Kulyk M. S. , Kirchu F. I. , Bogdanov M. Yu. , Hunesh Hussein , Surovtsev O. Yu.
Published: July 2020

В роботі наведені результати досліджень способу підвищення аеродинамічної навантаженостіступенів осьових вентиляторів (ОВ) та розширення діапазону їх стійкої роботи, за рахунок застосу-вання адаптивної системи керування відривними течіями. Разом з тим, в роботі відображенні резуль-тати чисельних, параметричних досліджень ступеня ОВ та проведена оцінка зміни енергетичнихпараметрів ступеня вентилятора з адаптивною системою на зривному режимі роботи. В роботі наве-дені результати чисельного дослідження отримані шляхом комп’ютерного моделювання ступеня ось-ового вентилятора в комерційному програмному середовищі ANSYS.