bluuebunny/crossref_metadata_2025 huggingface dataset:
Genetic Variability of Yield and Some Agronomical Traits of Promising Wheat Genotypes by R Project “Metan Package”
Authors: Al-Issawi Mohammed , Al-Fahdawi Omar Ismail , Al-Fahdawy Mohammed Ismail Khalaf , Mahmood Jalal Naji , Mansoor Maryam Luay , Salim Ali , Hashem Lamia Faaq , Khalid Marwan Magid , Khatlan Haitham Mokhles Saad
Published: July 2024

Plant breeders have to employ strategies and techniques to produce new improved wheat cultivars to increase productivity to meet the needs of the growing population. Therefore, they have to develop a new cultivar for adaptation to a new environment and new management practices. One of the most important criteria plant breeders should focus on is the exploitation of genotype × environment interaction (GEI). Thus, this study aimed to assess the variability of 24 wheat genotypes growing in different seasons by using the R software “Metan Package”. Moreover, the study estimates the stability parameters and finally highlights the winning genotypes across seasons. Field experiments were conducted across three consecutive seasons specifically 2019/2020, 2020/2021 and 2021/2022 and at different locations. The assessment was done on traits such as plant height [cm], flag leaf area [cm2], chlorophyll index [SPAD], spike number [spike/m2], fertility ratio [%], grain number [grain/spike], grain weight [g], and yield [kg/ha]. Results indicated different performances of wheat genotypes in certain environments as well as across the three environments included in this study. Winner genotypes such as G-20, G-10, G-30, G-4, and IRAQ were selected according to their stability and high grain yield potential. It can be concluded that the use of the Multi-Environment Trail Analysis-METAN package is powerful for detecting promising wheat genotypes with high and stable yields across different environments and under various climate change conditions. Furthermore, it can be recommended that wheat performance needs to be assessed across very wide geographical locations.
Effectiveness of the Complex Microbial Formulation for Disease Protection and Productivity Enhancement of Plants
Authors: Tytova Liudmyla , Sergiienko Valentyna , Pylypiuk Yevhen , Iutynska Galyna
Published: July 2024

Usage of the potential of beneficial soil microorganisms is one of the most promising areas for crop production enhancement. Of special interest are innovative multifunctional complex bioformulations based on associations of bacteria with phytoprotective and growth-stimulating properties. The study aimed to investigate the effectiveness of the new complex microbial preparation Ecophosphoryn. It was created based on associative growth-stimulating phosphate-mobilizing and nitrogen-fixing bacteria Bacillus, Azotobacter and Agrobacterium genera. Ecophosphoryn was used to treat the seeds of corn (Zea mays L.), white-headed cabbage (Brassica oleracea var. capitata L.), spray tomato (Solanum lycopersicum L.) and cabbage (Brassica oleracea var. capitata L.) during the growing season in laboratory, vegetation and field research. The protective effect of Ecophosphoryn against аlternaria of tomatoes averaged 76%. Against fusarium wilt of white cabbage on an artificial infectious background, the effectiveness of Ecophosphoryn was at the level of 78 ‒ 83%, and against alternaria head blight in the field on a natural infectious background – at the level of 45 ‒ 53%. The damage of corn by powdery mildew during the growing season decreased by 33%. The obtained results proved that various methods of using bioformulation contributed to increasing the resistance of plants against phytopathogenic micromycetes. The yield of white cabbage grew by 12%, tomatoes – by 14.9%, and corn ‒ by 26.6%. In most cases, the protective effect of the biological preparation and crop yields were not less effective than those of chemicals. In all field experiments, the use of Ecophosphoryn resulted in an increase in healthy fruit harvest compared to the control. The obtained data expand knowledge about the capabilities of biological formulations for ecologically oriented phytosanitary optimization of agrocenoses.
Anti-tumor and anti-oxidant effects of Ganoderma lucidum extracts on oral squamous cell carcinoma and skin squamous cell carcinoma in vitro
Authors: Haleem Azhar M , Taha Mohammed M , Ayoub Afaf A
Published: July 2024

Ganoderma lucidum has had great importance in healthcare in the Chinese for many decades. Polysaccharides and triterpenoids are one of the most important components of G. lucidum. Biological evidence indicates that this mushroom can be a promising treatment in many cancer cases and reduce the toxic effect of chemotherapy and radiotherapy if taken synchronously. This study highlights preparing an extract with therapeutic effects capable of removing free radicals and protecting cell membranes from hyperoxidation effects. The antitumor effect was evaluated on two types of cancer cell lines in vitro, Human Oral Squamous Cell Carcinoma (HOSCC) and Human Skin Squamous Cell Carcinoma (HSSCC), at different concentrations 0.0-1600 µg/mL. Antioxidant by DPPH assay was assessed at concentrations from 0.0-500 µg/mL, in addition to their effects on cytogenetic indicators such as mitotic index (MI), blastogenic index (BI) and total chromosomal aberration (TCAs) for three types of extracts (ethanol extract, water extract and acidified water extract). The results recorded an increase in the antioxidant activity of the three extracts, and that the acidified water extract had the highest effect, reaching a killing rate of 78.53% for the acidified water extract on the HOSCC cell line. Chromosomal stability indicates that the three extracts enhanced the cytogenetics parameters and supported chromosomal stability by increasing both mitotic index (MI) and blastogenic index (BI), while reducing chromosomal aberrations.
The Multiple-Locus Variable Number Tandem Repeat Analysis (MLVA) of Staphylococuss aureus clinical isolates recovered from the Provincial Specialist Hospital in Lublin, Poland
Authors: Bogut Agnieszka , Grzegorczyk Agnieszka , Kuszneruk Dominik
Published: July 2024

Understanding the epidemiology and evolution of Staphylococcus aureus (SA) is crucial for implementing effective infection prevention and control measures. In this study, a short-term (4-month) and local molecular epidemiology of SA in the nosocomial setting was investigated using multiple-locus variable number tandem repeat (VNTR) analysis (MLVA). The study included 31 clinical SA isolates. The analysis was based on two complimentary panels encompassing 14 VNTR loci wherein a first-line assay comprised a subset of 10 loci (Panel 1), followed by a second subset of four loci (Panel 2). Thirty MLVA profiles were generated. Small amplicons were obtained for three out of the four loci included in Panel 2 for more than half of the isolates, making the calculation of the number of repeats impossible. Therefore, phylogenetic clustering was based on the analysis of basic loci included in Panel 1 (which identified two major genetic clusters). Cluster I included 26 (84%) isolates, among which 14 were classified into five sub-clusters (cutoff value ≥65%). Only one pair of the isolates shared an identical MLVA pattern. Our study indicates the usefulness of a MLVA tool comprised of a primary subset of 10 loci to track the possibility of SA intra-hospital transmission. We report a high genetic diversity of the isolates and suggest a limited degree of intra- and inter-ward SA transmission. Further genetic studies are necessary to investigate the nature of the small alleles yielded in Panel, as their subset can provide even higher resolution of the assay.
Effect of heat treatment on the secondary metabolites composition of Curcuma longa L. rhizome
Authors: Zagorska Justyna , Jaworowska Agnieszka
Published: July 2024

Turmeric (Curcuma longa L.) is a widely known plant that is commonly used as a spice. It is also a valuable raw material that is increasingly used in the pharmaceutical industry and, notably, in dietary supplement recipes. For a long time, the healing properties of turmeric have been used in folk medicine in many regions of the world, mainly to treat various types of diseases. When developing recipes and preparing preparations with medicinal properties, the turmeric rhizome is subjected to various types of thermal treatment. These processes cause qualitative and quantitative changes in the composition of the secondary metabolites present in the turmeric rhizome. Due to its great popularity and widespread use as a raw material with health-promoting properties, turmeric undeniably deserves an in-depth analysis in order to optimize the treatment process and minimize its negative impact on active compounds. The presented review summarizes the current state of knowledge on the impact of thermal treatment of the turmeric rhizome on the composition of its biologically active compounds. The data provided in this review indicate that the content of active compounds in turmeric rhizomes is strictly correlated not only with the used type of processing, but it also strongly depends on the selection of key parameters. Therefore, it is difficult to clearly indicate the type of processing that would be the most beneficial for the composition of its active compounds.
Carbon Emission Reduction Effects of Heterogeneous Environmental Regulation: Evidence from the Firm Level
Authors: Zhao Yi
Published: July 2024

The paper investigates the capacity of environmental regulatory policies to effectuate carbon emission reduction (CER) at the enterprise micro-level. It delves into the intrinsic correlation between these policies through theoretical analysis and empirical assessments, scrutinising the varied effects of heterogeneous environmental regulations (ERs) such as sewage charges and environmental protection subsidies. Findings reveal that diverse ERs can bolster CER, with sewage charging ERs manifesting a more conspicuous emission reduction effect. Rigorous robustness tests validate these initial conclusions. Moreover, distinct ERs exhibit temporal lags in their impact on CER; sewage charging ERs display a diminishing trend in emission reduction efficacy, while environmental subsidies ERs exhibit dynamic superposition traits. Importantly, incentives for green innovation and enhancements in total factor productivity emerge as pivotal mechanisms by which diverse ERs propel CER within enterprises.
The development of Southeast Asia’s digital economy: current status, development motivation and challenges
Authors: Yu Miao
Published: July 2024

Subject and purpose of work

This paper aims to contribute to the understanding of the digital economy in Southeast Asia (SEA). It evaluates SEA’s digital economy industry from various perspectives, analysing the reasons for its rapid development as a non-core innovation area of the digital economy.

Material and methods

A comprehensive literature review and descriptive methodology were used to produce this paper. The methods used included defining the evaluation criteria of the digital economy and summarising and sorting out the development of SEA’s digital economy.

Results

With respect to theory, this paper analyses the current status of SEA’s digital economy, which helps deepen our understanding of the new trends in SEA’s economic development. As regards practicalities, it provides suggestions for how SEA countries can further improve the development model of the digital economy.

Conclusions

The paper assesses SEA’s digital economy and identifies the driving factors that enable the region to rapidly develop digital economy industries. The first set of factors are national-level policies, a unified market, population structure, and mobile penetration rate. The second set of factors are regional, as SEA can benefit from digital economic spillover from countries such as China and the United States. The third set of factors is global. The transfer of the global industrial chain has also facilitated the development of the digital economy in the region. This paper hypothesises that national-level factors are decisive, enabling a non-core innovation area such as SEA to develop rapidly, while regional-level and global-level factors are auxiliary.
Three moss novelties in the flora of North Macedonia
Authors: Papp Beáta , Pantović Jovana P. , Szurdoki Erzsébet , Sabovljević Marko S.
Published: July 2024

Three moss species are recorded for the first time in the Republic of North Macedonia. These are Brachytheciastrum dieckei, Kiaeria starkei and Orthotrichum schimperi. Details on records are given including distribution, georeferences and ecology.
Successional development of shrub-woody vegetation on natural river banks along certain watercourses in the Julian Alps and their foothills (western Slovenia and northeastern Italy)
Authors: Dakskobler Igor
Published: July 2024

We conducted a phytosociological survey of pioneer shrub and shrub-wood (brushwood) communities on river banks at the contact of gravel bars and rockfall, slope debris or colluvium in the spring area of the Nadiža River, in the gorge of the Soča River between Srpenica and Kobarid (Log Čezsoški and Magozd), in the Tolminka valley, and in certain other locations in the hills of western Slovenia. We identified a successional sequence of two grey willow and hop hornbeam communities, which we classify into the associations Salicetum eleagno-appendiculatae (Salicion eleagno-daphnoidis) and Peucedano verticillari-Ostryetum carpinifoliae (Fraxino orni-Ostryion). Both are indicators of natural river banks that have not been artificially stabilized. We expanded the knowledge of hop hornbeam communities in the pre-Alpine–northern-Dinaric part of Slovenia with a description of a new association Scopolio carniolicae-Ostryetum carpinifoliae. Its sites are characterised by slightly moist soil, and its stands by a higher proportion of species of the alliance Tilio-Acerion.
NEW PATTERNS OF EUROPEANISATION: DIGITALIZING ROMANIA'S EDUCATIONAL SYSTEM DURING COVID-19 CRISIS
Authors: CARADAICĂ Mihail , CUCUTĂ Radu , NEGRESCU Victor , UNGUREANU Radu
Published: July 2024

As a result of the major pressure exerted by the COVID-19 pandemic and its management on students and teachers, the EU member states and institutions face the necessity to accelerate the digitalization of education. The EU interventions in this field open the debate on whether digital education will be another subject of Europeanisation as the supranational institutions are acquiring more competences, and whether a new European policy approach was generated by the pandemic. Therefore, the paper investigates whether the COVID crisis represents a major shift in the Europeanisation of digital education in the EU. We will thus try to assess this transformation by analysing the impact of the crisis on digital education, showcasing Romania and the manner in which the national government designed its public policies against the background of the EU positions, recommendations and measures.
Uso del test de termorresistencia para evaluar la viabilidad del semen congelado de los toros del Banco Nacional de Semen
Authors: Farroñan-Chapoñan K.J. , Colter-Apaza B.D.P. , Gallegos-Cardenas A.D.P. , Trillo-Zarate F.C. , Del Carpio-Ramos P.A.
Published: July 2024

Se evaluó el semen de toros Holstein y Brown Swiss con el objetivo de determinar la viabilidad mediante la motilidad espermática en función del tiempo post descongelado utilizando el test de termorresistencia (TT). Se emplearon cuatro sementales (2/raza) para evaluar: motilidad espermática progresiva (MP), rápida (MR), lenta (ML) y circular (MC) en diferentes tiempos post descongelado; también se determinó el porcentaje de espermatozoides vivos. Para MP se encontró diferencias significativas (p<0.05) entre razas (Holstein>Brown Swiss) y entre momentos post descongelado, a partir de los 30 minutos la motilidad desciende (P<0.05) conforme se incrementa el tiempo desde el descongelado; comportamiento similar se vio para MR. La ML mostró diferencia entre razas (p<0.05), pero desapareció en tiempo post descongelado (p>0.05). La MC fue diferente entre razas, Holstein superó a Brown Swiss (P<0.05), y hubo diferencias entre tiempos post descongelación (p<0.05) con una tendencia a disminuir conforme transcurrió el tiempo. Mayor proporción de espermatozoides inmóviles hubo en Brown Swiss (p<0.05), incrementándose conforme transcurrió el tiempo post descongelado (p<0.05). En conclusión, el TT permitió determinar que el semen de toros Holstein tuvieron mejores características de motilidad, las que tienden a empeorar conforme transcurre el tiempo post descongelado de las pajuelas.
Implementasi Forward Chaining pada Sistem Pakar Kerusakan Mesin Fotocopy
Authors: Kurniawan Ferdian Miko , Christanto Febrian Wahyu , Ahmad Firdaus Eryan , Rohayati Tuti
Published: July 2024

Metode Forward Chaining dipergunakan untuk pengembangan sistem pakar agar dapat mendiagnosis kerusakan mesin fotocopy. Sistem ini bertujuan untuk membantu teknisi atau pengguna non-teknis dalam mengidentifikasi dan memperbaiki masalah yang terjadi pada mesin fotocopy. Sistem mengumpulkan informasi tentang gejala atau tanda-tanda yang terkait dengan kerusakan pada mesin fotocopy. Informasi ini kemudian digunakan untuk memeriksa aturan-aturan yang ada dalam basis pengetahuan. Sistem secara berurutan memeriksa aturan-aturan ini dan mencocokkan kondisi-kondisi dengan gejala-gejala yang diamati pada mesin fotocopy. Oleh karena itu, penelitian ini memiliki tujuan agar dapat mengimlementasikan metode forward chaining pada sistem pakar kerusakan mesin fotocopy Canon IRA 4251/6275 berbasis website sebagai solusi untuk membantu teknisi supaya tidak perlu datang ketempat pelanggan untuk perbaikan mesin fotocopy, karena pelanggan bisa memperbaiki kerusakan pada mesin fotocopynya sesuai arahan dari aplikasi sistem pakar tersebut yang berguna untuk mengurangi pengeluaran biaya sebesar 70% yang dikeluarkan untuk memanggil teknisi fotocopy hasil tersebut diperoleh dari jawaban kuesioner pengguna bahwa aplikasi ini sangat membantu.Metode yang digunakan yaitu pengumpulan data melalui wawancara serta observasi. Sehingga metode pengembangan ini mempergunakan metode prototype. Aplikasi sistem pakar ini memakai framework codeigniter serta menggunakan database MySQL. Aplikasi implementasi forward chaining di sistem pakar kerusakan mesin fotocopy Canon IRA 4251/6275 berbasis website tersebut diharapkan bisa membantu mensolusikan pelanggan terkait kerusakan yang ada pada mesin fotocopy dan mengurangi biaya pelanggan untuk servis mesin fotocopy.
Pembuatan Sistem Penjualan Spare Part Mobil Berbasis Web Pada Usaha “Asen”
Authors: Setiawan Steven , Dewayani Ery
Published: July 2024

Perkembangan teknologi di jaman sekarang yang cukup pesat dan akses yang cukup mudah mengakibatkan peningkatan penggunaan teknologi oleh masyarakat. Penggunaan teknologi dapat memudahkan masyarakat untuk mencari informasi baik informasi secara lokal maupun internasional. Perkembangan teknologi juga berpengaruh di bidang bisnis yang penggunaanya dapat membantu bisnis dalam meningkatkan jumlah calon pembeli yang melirik bisnis tersebut dan keuntungan bisnis tersebut. Usaha "Asen" merupakan sebuah usaha spare part mobil yang didirikan oleh seorang freelance yang bernama Tomy Setiawan Tjua yang telah terjun ke dunia spare part mobil sejak 20 tahun yang lalu. Sistem penjualan di dalam usaha ini masih menggunakan metode manual dimana para calon pembeli diharuskan untuk menghubungi pemilik usaha terlebih dahulu untuk melakukan transaksi. Pembuatan sistem penjualan berbasis website untuk usaha "Asen" adalah untuk memudahkan pemilik usaha untuk menjual spare part mobil dan juga untuk memudahkan pembeli dalam melakukan pembelian spare part mobil. Pembuatan sistem penjualan berbasis website ini menggunakan Laravel sebagai platform website berbasis PHP, lalu MySQL sebagai tempat penyimpanan data, dan aplikasi Visual Studio Code sebagai tempat penulisan kode sistem.
Development of Quizlet Platform-Based Learning Media for Middle School Students' Understanding of Arabic Vocabulary
Authors: Larenzi Annisa Hanin , Basyar Syarifudin , Ghazi Fachrul , Khedr Tamer Sa’ad Ibrahim
Published: July 2024

Quizlet platform-based learning media is an interactive learning media that can be used in the Arabic language learning process, especially vocabulary. This research is based on the problems students encounter when learning Arabic, especially vocabulary. Students have difficulty learning Arabic because they consider Arabic to be a difficult subject and the lack of learning media used by teachers means that students lack enthusiasm in the learning process. This research is research and development research (R&D), namely research activities that begin with research and end with development. This research uses a mixed methods approach and the Hannafin and Peck development model, which consists of three phases: the first phase is need assessment, the second phase is design, and the third phase is development and implementation. This research aims to determine the feasibility of learning media based on the researcher' developed Quizlet platform. The data in this research are in the form of observations, interviews, questionnaires, and documentation. The subjects of this research are students in class 8F of the Insan Mulia Islamic Boarding School in Pringsewu Lampung. The following are the research steps carried out by the researcher: 1. The first phase is needs analysis, the researcher carries out direct observations and personal interviews with Arabic teachers. 2. The second phase, namely design, the researcher designed an Arabic language learning media design based on the Quizlet platform. 3. The third phase, namely development and implementation, researcher developed learning media based on the Quizlet platform and validate it by experts. Researcher conducted product feasibility tests. Several validators validated these: two were learning material experts, two were learning media experts, and one was an educational practitioner expert. Researcher obtained research results with validation results by experts with very good grades, including: 91% by material experts, 94% by learning media experts, and 90% by education practitioner experts. Therefore, Arabic language learning media based on the Quizlet platform developed by researchers is suitable for use in Arabic language learning, especially vocabulary.
Differential expression of serum CXCL9 and CXCL10 levels in vitiligo patients and their correlation with disease severity and stability: A cross-sectional study
Authors: Aulakh Shayna , Goel Seema , Kaur Loveleen , Gulati Samridhi , Kaur Maninder , Chopra Dimple , Sarangal Rishu , Batra Jayati
Published: July 2024

Background

Vitiligo is an acquired disorder of pigmentation with an elusive pathogenesis, though various theories have been proposed. The presence of peri-lesional autoreactive CD8+ T cell infiltrate suggests the involvement of abnormal immune responses and autoimmunity in vitiligo. Recent studies have identified the IFN-γ-CXCL9/CXCL-10 axis as a key component of the autoimmune response that perpetuates disease activity in vitiligo.

Objectives

The primary objective was to estimate serum CXCL9 and CXCL10 levels in vitiligo patients compared to age- and sex-matched controls. Additionally, the study aimed to find correlations between CXCL9 and CXCL10 levels and disease severity and stability. Secondary objectives included comparing levels in segmental/nonsegmental vitiligo and stable/progressive vitiligo and assessing the impact of age and gender.

Methods

A hospital-based cross-sectional study included 60 vitiligo patients and 30 age- and sex-matched controls. Serum levels of CXCL9 and CXCL10 were assessed using Enzyme-linked immunosorbent assay (ELISA). Cases were clinically evaluated for the type of vitiligo (segmental or non-segmental), disease severity (VASI score), and disease stability (VIDA score). Statistical analysis included t-tests, chi-square tests, and correlation coefficients. P value less than 0.5 was taken as significant.

Results

Serum CXCL9 and CXCL10, both, were significantly raised in vitiligo patients as compared to controls (p-value = 0.001* & 0.001* respectively) and correlated positively with both VASI score (p-value = 0.001* & 0.001* respectively) and with VIDA score (p-value = 0.032* & 0.001* respectively). Serum CXCL10 showed significant elevation in progressive vitiligo, and CXCL9 exhibited a non-significant trend. No significant difference was observed between segmental and non-segmental vitiligo. Both chemokines positively correlated with disease severity and stability, while age and gender did not significantly impact chemokine levels.

Limitations

Small sample size of control population. The voluntary sampling technique led to an unequal number of patients in progressive and stable vitiligo groups, as well as in segmental and non-segmental groups. The current study did not include blister fluid analysis and the effect of therapy on the chemokine levels.

Conclusion

The expression of chemokines CXCL9 and CXCL10 is markedly increased and correlates positively with disease severity and instability, underscoring their mechanistic role in vitiligo pathogenesis. The values were also higher in the progressive group than in the stable group, inferring their conceivable potential as serum biomarkers.

*represents statistically significant results
Manajemen Pengelolaan UMKM Budidaya Ikan Lele Untuk Meningkatkan Pendapatan Masyarakat dalam Perspektif Maqasid syariah (Studi Pada Budidaya Ikan Lele di Dusun Banyulegi, Pasuruan)
Authors: Ulfatul Khoiriyah  , Masruchin  , Fitri Nur Latifah
Published: July 2024

Manajemen perekonomian masyarakat Dusun Banyulegi mayoritas menggantungkan penghasilannya melalui budidaya ikan lele. Budidaya ikan lele sangat menjanjikan karena profit yang diperoleh dapat meningkatkan pendapatan. Masyarakat yang semula berada pada taraf dengan ekonomi menengah ke bawah dapat meningkatkan pendapatannya. Sektor usaha mikro kecil dan menengah (UMKM) memiliki peran penting dalam mendorong pertumbuhan perekonomian. Metode penelitian yang digunakan adalah kualitatif. Teknik pengumpulan data menggunakan observasi, wawancara, dokumentasi dan kuesioner. Penelitian ini menggunakan dua jenis data yaitu data primer dan data sekunder. Data primer yang di peroleh melalui wawancara dan kuesioner kepada pendiri budidaya lele serta masyarakat yang mempunyai usaha budidaya ikan lele. Adapun data sekunder yang dipilah secara relevan sesuai dengan pembahasan peneliti. Analisis data menggunakan reduksi data, penyajian data dan penarikan kesimpulan. Jika dilihat dari proses budidaya serta hasilnya dengan dikaitkan implementasi maqasid syariah yang telah sesuai dengan syarat implementasinya. Secara garis besar budidaya ikan lele adalah sebuah praktek usaha yang sebenarnya terakomodir dalam lingkup syariah secara tidak tertulis. Hasil pembahasan dengan manajemen perekonomian yang bagus maka profit yang dihasilkan melalui budidaya ikan lele telah meningkatkan pendapatan masyarakat yang sekaligus memberi efek berantai terhadap perekonomian dari segi hifdzu din, hifdzu nafs, hifdzu ‘aql, hifdzu nasl dan hifdzu maal.
MLTB: Enhancing Transferability and Extensibility of Density Functional Tight Binding Theory with Multi-body Interaction Corrections
Authors: Burrill Daniel , Liu Chang , Taylor Michael , Cawkwell Marc , Lubbers Nicholas , Perez Danny , Batista Enrique , Yang Ping
Published: July 2024

We present a hybrid semi-empirical density functional tight binding (DFTB) models with a machine learning neural network potential as a correction to the repulsion term. This hybrid model, termed MLTB, employs the standard self-consistent charge (SCC) DFTB formalism as the baseline, enhanced by the HIP-NN potentials as an effective many-body correction for the short range pairwise repulsive interactions. The MLTB model demonstrates significantly improved transferability and extensibility compared to standalone the SCC-DFTB and HIP-NN models. This work provides a practical computational framework for developing reliable SCC-DFTB models with additional many-body corrections that more closely approach the DFT-level accuracy. We illus- trate this method with the development of an accurate model for the thorium-oxygen system, applied to the study of its nanocluster structures, (ThO2)n.
Enzyme enhancement through computational stability design targeting NMR-determined catalytic hotspots
Authors: Gutierrez-Rus Luis I. , Vos Eva , Pantoja-Uceda David , Hoffka Gyula , Gutierrez-Cardenas Jose , Ortega-Muñoz Mariano , Risso Valeria A. , Angeles Jimenez Maria , Kamerlin Shina Caroline Lynn , Sanchez Ruiz Jose M.
Published: July 2024

Enzymes are the quintessential green catalysts, but realizing their full potential for biotechnology typically requires improvement of their biomolecular properties. Catalysis enhancement, however, is often accompanied by impaired stability. Here, we show how the interplay between activity and stability in enzyme optimization can be efficiently addressed by coupling two recently proposed methodologies for guiding directed evolution. We first identify catalytic hotspots from chemical shift perturbations induced by transition-state-analogue binding and then use computational/phylogenetic design (FuncLib) to predict stabilizing combinations of mutations at sets of such hotspots. We test this approach on a previously designed de novo Kemp eliminase, which is already highly optimized in terms of both activity and stability. Despite this, using our current approach, we were able to obtain 50-fold modulation in catalysis, with most variants displaying substantially increased denaturation temperatures and purification yields. Notably, our most efficient engineered variant (kcat 1700 s-1, kcat/KM 4.3·10^5 M-1s-1) is the most proficient proton-abstraction Kemp eliminase designed to date, with a catalytic efficiency on a par with naturally occurring enzymes. Molecular simulations pinpoint the origin of this catalytic enhancement as being due to the progressive elimination of a catalytically inefficient substrate conformation that is present in the original design. A large modulation in catalysis linked to substrate conformational selection illustrates the potential of our approach for the engineering of enzyme regio- and stereo-selectivity. Overall, our work showcases the power of dynamically guided enzyme engineering as a design principle for obtaining novel biocatalysts with tailored physicochemical properties, towards even anthropogenic reactions.
Insights from techno-economic analysis can guide the design of low-temperature CO₂ electrolyzers towards industrial scaleup
Authors: da Cunha Shashwati , Resasco Joaquin
Published: July 2024

The field of CO₂ reduction has identified several challenges that must be overcome to realize its immense potential to simultaneously close the carbon cycle, replace fossil-based chemical feedstocks, and store renewable electricity. However, frequently cited research targets were set without quantitatively predicting their impact on the economic viability of CO₂ reduction. Using a physics-informed techno-economic assessment, we offer guidance on the most pressing research priorities for CO₂ reduction based on state-of-the-art electrolyzer performance. We find that the levelized product cost is dominated by the cost of electricity used to drive electrolysis, and the capital cost of the process mostly arises from separations, especially of unreacted CO₂ to be recycled. At a cell resistance as low as 1 Ω·cm² and retail electricity prices, operating at a total current density >475 mA/cm² drives up electricity demands and increases the cost of producing CO. High current density operation is therefore undesirable unless low cell voltages can be maintained. Although wholesale wind and solar electricity are cheaper than retail electricity, their capacity factors are too low for economical process operation. Adding energy storage to increase the capacity factor of solar electricity triples the capital cost from $34.4 million to $112.6 million for a plant making 50 tCO/day. Improving single-pass conversion is not a priority because it leads to selectivity loss in contemporary membrane electrode assemblies, giving an optimum conversion at <15%. To overcome this limitation, we identify the opportunity to modify reactor design to improve CO₂ availability to the catalyst. Decoupling selectivity and single-pass conversion by moving away from a plug flow reactor design, without adding cell voltage, would reduce the base case levelized cost of $1.22/kgCO to $0.97/kgCO and save 36% on capital cost. Finally, we conclude that resolving the “carbonate crossover problem” in neutral electrolytes is not a priority for improving the levelized cost of product.
Seeing Double: Experimental Insights into the Formation, Reactivity, and Crosstalk of Thionitrite (SNO–) and Perthionitrite (SSNO–)
Authors: Davis Amanda , Pluth Michael
Published: July 2024

Hydrogen sulfide (H2S) and nitric oxide (NO) are important gaseous biological signaling molecules that are involved in complex cellular pathways. A number of physiological processes require both H2S and NO, which has led to the proposal that different H2S/NO• crosstalk species, including thionitrite (SNO–) and perthionitrite (SSNO–), are responsible for this observed codependence. Despite the importance of these S/N hybrid species, the reported properties and characterization, as well as the fundamental pathways of formation and subsequent reactivity, remain poorly understood. Herein we report new experimental insights into the fundamental reaction chemistry of pathways to form SNO– and SSNO–, including mechanisms for proton-mediated interconversion. In addition, we demonstrate new modes of reactivity with other sulfur-containing potential crosstalk species, including carbonyl sulfide (COS).
Controlling Solvent Effects on in situ Pd Nanoparticle Synthesis Allows ß-Selective Heck Reactions of Unprotected Cinnamylamines
Authors: Shrestha Kendra K. , Farinde Olutayo N. , Gohmann Abigail M. , Kondapalli Radha , Satheesh Vanaparthi , Maxwell Justin M. , Landge Vinod G. , Gottshall Allison V. , Hunt G. Brant , Young Michael C.
Published: July 2024

The control of regioselectivity for insertion reactions of allylamines is almost exclusively biased towards γ-functionalization for internal alkenes. Until recently these reactions also required protecting groups to prevent amine oxidation and other side reactions. To expand the synthetic toolbox to access unique new allylamine structures, we’ve found that by using the free amine, we have discovered a general method to synthesize complex allylamines through β-arylation with superior β-selectivity compared to traditional directing/protecting group-modified allylamine substrates which give preferentially γ-arylation or poor selectivity, demonstrating the orthogonality of free amine-directed methods. A comprehensive examina-tion of both the catalyst structure and role of the amine group is presented, with the proposed selectivity deriving from the amount of surface charge of the in situ-formed catalyst.
FEATURES OF THE SOCIO-POLITICAL SITUATION IN ISLAMIC COUNTRIES AFTER GAINING INDEPENDENCE (informational and religious studies aspects)
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Shagyrbay Almasbek , Moldakhmet Bidas
Published: July 2024

The process of establishing Muslim states has been a subject of exploration and research, considering various accusations and efforts to transform Muslim ideas and institutions. In the context of the study topic, a number of domestic and foreign orientalists, regional scientists, historians have studied historical and political factors, in this article it is planned to analyze the religious aspects of the topic by considering information and religious aspects. The study provides a comprehensive study of theoretical materials, as well as professional opinions and thoughts of public figures, religious scientists in this region. As a result of the article, the study examined the participation and role of religious movements and parties in Arab society (Hamas, Hezbollah, the Muslim Brotherhood, etc.) in the system of public administration, taking into account social and religious factors in the process of gaining sovereignty of the Middle East countries. It is clear that the relations between the main directions in Islam, sunnis and shiites, contributed to the non-preservation of religious identity in the Middle East, and it was found that Muslim thinkers and public figures were looking for ideas for a common dialogue between the two directions. To date, in order to conduct a productive study of the main factors of conflicts in the region, it is obvious that a number of final data in the article indicate understanding the importance of the subject matter in order to comprehend its significance. The article, which provides practical assistance in the work of specialists studying the religious situation in this region, has practical significance, contains information about Understanding the significance of religious elements and their place in society is crucial for gaining insight into this topic of declaration of independence of such states as Lebanon, Iran, Syria, Egypt.
THE BELIEF SYSTEM OF THE DEOBAND SCHOOL AND ITS POSITION TOWARDS SALAFISM
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Akimkhanov Askar , Abdilkhakim Burkhanadin , Zhanenuly Adil
Published: July 2024

The Deoband school, which emerged in India, has become one of the topical issues recently. Groups are emerging in Kazakhstan who believe that Deobandism is correct and adhere to it. Spread of this ideology in our country was mainly due to the people who studied at the centers of this ideology, which are mainly Pakistan. Muslims in countries such as Pakistan, India and Afghanistan often follow Abu Hanifa school, Maturidi creed and are conservative in religious issues. In turn, the Kazakh people throughout the history combined religion and traditions. Therefore, the spread of Deobandi religious concepts in the Kazakh land creates certain misunderstandings. This is probably due to the fact that the religious views of the Deobandis are contrary to the Kazakh worldview. Research is needed to determine how and why these contradictions are emerging. Despite the relevance of the problem, there are almost no research on this topic in our country. The skeleton of any religious ideology is a matter of faith, therefore for this article as a research topic has been chosen Deobandi’s faith. The purpose of the article is to determine what belief system the Deoband school adhere to and how they relate to Salafism. The article contains a brief history of Deobandism, its belief system and the views of Deoband scholars on the prominent scholars of Salafism like Sheikh Ibn Taymiyyah. Also, the influence of Maturidi and Ash’ari belief systems on the Deobandis and generally their views on Wahhabism are analyzed.
SPACE AND TIME AS REPRESENTATIONS OF MYTHO-RELIGIOUS CONSCIOUSNESS
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Shumatova Meruert , Shumatov Eldar
Published: July 2024

After the collapse of the USSR, the worldview guidelines of a person in the post-Soviet era lost their values. Man was forced to rethink his ideological guidelines and spiritual values. What a person believed in has become worthless. Man again faced the question of establishing new ideological guidelines and spiritual values. Thus, the questions became actual – what is sacred and sacred in human existence, where are their sources. Where is the guarantee that after a certain time they will not depreciate? Consequently, issues of myth making are still relevant today. In this article, the authors have set themselves the following goal – to analyze the influence of mythological and religious worldview universals on the existence of modern man. Depending on this, a person determines his role and place in the world. The influence of these universals not only determine a person’s place in the world, but also give a visual picture of the world, that is, its time and space of existence. The scientific and practical significance of this study is due to the fact that post-Soviet people, having “freed themselves” from some ideals blindly, did not believe other false ideals. Without spiritual guidelines and worldviews, a person wanders in the labyrinths of freedom. An example of this is such negative phenomena of our time as terrorism and religious extremism.
THE THEORY, PRINCIPLES, AND STRATEGIES OF THE APPLICATION OF SITUATIONAL TEACHING METHOD IN CHINA HISTORY TEACHING
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Guoxin Wang
Published: July 2024

Situational Teaching Method is a teaching method in which teachers actively create a good learning environment and atmosphere, stimulate students ‘interest, help students build cognition, and promote students’ all around development. This paper uses the literature research method and the case analysis method to discuss the application of the situational teaching method in the classroom. The research shows that following the principles of scientificity, pertinence and subjectivity can improve the efficiency of the classroom. Using vivid language, life examples, asking questions and creating basic historical materials are important strategies to ensure the effectiveness of the classroom. Therefore, following the basic principles of situational teaching method is the key to improving classroom teaching.
Sistem Perpustakaan Menggunakan QR Code Berbasis Web Dengan Framework Codeigniter
Authors: Adhiwibowo Whisnumurti , Mahmud Ghozali
Published: July 2024

Perpustakaan SD Negeri Muktiharjo Lor merupakan lembaga pendidikan yang memiliki kumpulan bahan pustaka yang lengkap. Dari koleksi buku pelajaran maupun kumpulan buku-buku umum di sediakan kepada para pengunjung perpustakaan. Dalam proses kerjanya yaitu proses simpan pinjam bahan pustaka masih dilakukan secara manual tanpa memanfaatkan sebuah sistem informasi guna meningkatkan kinerja layanan para pustakawan atau pengelola. Kondisi tersebut menjadi dasar dalam merancang bangun sistem perpustakaan menggunakan QR Code Berbasis Web dengan Framework Codeigniter. Metode Waterfall digunakan dalam membuat pengembangan sistem, codeigniter digunakan dalam pembuatan framework, dan MySQL digunakan untuk menyimpanan database. Sistem yang dibangun di SD Negeri Muktiharjo Lor mampu dalam meningkatkan kinerja layanan perpustakaan baik dalam keefesien, keefektifan dan dapat mengurangi kesalahan-kesalahan dalam mengolah bahan pustaka karena menggunakan QR Code.

The SD Negeri Muktiharjo Lor library is an educational institution that has a complete collection of library materials. From the collection of textbooks and a collection of general books provided to library visitors. In the work process, the process of saving and borrowing library materials is still done manually without using an information system to improve the service performance of librarians or managers. This condition is the basis for designing a library system using a Web-based QR Code with Codeigniter Framework. The Waterfall method is used in making system development, Codeigniter is used in making the framework, and MySQL is used for storing databases. The system built at SD Negeri Muktiharjo Lor can improve the performance of library services both in efficiency, effectiveness and can reduce errors in processing library materials because it uses QR Code.

Keywords:  QR Code; Muktiharjo Lor Elementary School; Library
Peran Media Sosial dan Pola Pengasuhan Orang Tua terhadap Perilaku Agresif Jalanan pada Remaja
Authors: Gunadi Andri , Sugiarti Rini , Erlangga Erwin
Published: July 2024

Kondisi perkembangan remaja yang berada di Indonesia sangat membutuhkan perhatian. Perihal ini dapat dirasakan mulai dari tahap remaja masa kini yang terkesan lebih bebas dan sering mengabaikan asas-asas moralitas yang maknanya ada di keseharian tindakan yang dilakukan. Dalam riset ini menyampaikan penjelasan berkaitan dengan ancaman sosial media beserta gaya asuh orangtua terhadap tindakan brutal jalanan remaja. Riset ini mempergunakan metode riset kualitatif beserta kepustakaan, didampingi oleh beberapa jurnal penelitian tentang perilaku remaja yang berhubungan dengan sosok sosial media, gaya asuh serta agresi jalanan. Akhir dari riset ini menampilkan jika media sosial serta gaya asuh orang tua memiliki dampak yang sangat akurat terhadap tindakan brutal jalanan remaja
PENGARUH PERSEPSI HARGA DAN KUALITAS PELAYANAN PADA KEPUASAN PELANGGAN DENGAN CITRA MEREK SEBAGAI VARIABEL INTERVENING
Authors: Darojah Rofiatu , Widjajanti Kesi , Kuswardani DC
Published: July 2024

Penelitian ini dilakukan di Agen Resmi Bus Patas AC/Executive PO. Ramayan, Semarang. Tujuan Penelitian ini adalah untuk mengetahui pengaruh persepsi harga, kualitas layanan terhadap kepuasan pelanggan dengan citra merek sebagai variabel intervening. Populasi dan sampel penelitian ini adalah penumpang Bus Patas AC/Executive PO. Ramayana. Jumlah responden sebagai sampel dalam penelitian ini sebanyak 100 responden. Analisis data berupa uji validitas, uji reliabilitas, uji normalitas, uji heterokedatisitas, uji multikorelas, uji linearitas, analisis regresi berganda, uji koefisien determinan, uji F, dan uji t. Hasil penelitian ini menunjukkan bahwa persepsi harga berpengaruh signifikan terhadap kepuasan pelanggan. Kualitas layanan berpengaruh signifikan terhadap kepuasan pelanggan. Variabel citra merek signifikan memediasi pengaruh variabel persepsi harga (X1) terhadap varaibel kepuasan pelanggan (Y2).

  

This research was conducted at the Patas AC/Executive PO Bus Authorized Agent. Ramayan, Semarang. The purpose of this study was to determine the effect of price perception, service quality on customer satisfaction with brand image as an intervening variable. The population and sample of this study were Patas AC/Executive PO Bus passengers. Ramayana. The number of respondents as a sample in this study were 100 respondents. Data analysis in the form of validity test, reliability test, normality test, heteroscedasticity test, multicorrelation test, linearity test, multiple regression analysis, determinant coefficient test, F test, and t test.   The results of this study indicate that price perception has a significant effect on customer satisfaction. Service quality has a significant effect on customer satisfaction. The brand image variable significantly mediates the effect of the price perception variable (X1) on the customer satisfaction variable (Y2)
PENGARUH BEBAN KERJA, KOMPETENSI DAN GAYA KEPEMIMPINAN TRANSFORMASIONAL TERHADAP KINERJA KARYAWAN
Authors: Rahma Anindita Sheila , Kuswardani DC. , Santoso Djoko
Published: July 2024

Tujuan dari penelitian ini adalah untuk mengetahui pengaruh beban kerja, kompetensi dan gaya kepemimpinan transformasional dengan motivasi sebagai variabel intervening terhadap kinerja karyawan Dinas Kependudukan dan Catatan Sipil Kota Semarang. Variabel independen dalam penelitian ini adalah beban kerja, kompetensi dan gaya kepemimpinan transformasional sedangkan varaibel dependennya adalah kinerja karyawan dengan variabel intervening motivasi. Jenis penelitian adalah penelitian kuantitatif dengan teknik pengambilan sempel metode sensus sebanyak 54 orang. Penelitian dilakukan dengan menggunakan kuesioner yang hasilnya diolah menggunakan SPSS 2.3. Hasil penelitian ini menunjukkan bahwa beban kerja, kompetensi, dan gaya kepemimpinan transformasional berpengaruh terhadap kinerja karyawan. Beban kerja dan gaya kepemimpinan transformasional berpengaruh terhadap motivasi namun kompetensi tidak berpengaruh terhadap motivasi. Sedangkan motivasi berpengaruh terhadap kinerja karyawan