bluuebunny/crossref_metadata_2025 huggingface dataset:
FORMATION OF A METHODOLOGICAL APPROACH TO ASSESSING THE LEVEL OF DEVELOPMENT OF THE REGIONAL FINANCIAL SERVICES MARKET
Authors:   Omsk Motor Transport College, Omsk, Russia, Batalina D. A.
Published: October 2023

The analysis of the approaches presented to date to assess the level of development of the financial services market allows us to conclude that there is no comprehensive representation of the phenomenon under study. The existing methods emphasize the assessment from the perspective of competitiveness, creditworthiness, economic development and social satisfaction, i.e. in the aspect of two elements – economy and society. However, due to the fact that at the moment special attention is paid to the concept of sustainable development, it is advisable to con¬sider the assessment of the level of development of the financial services market simultaneously through the prism of three components: economic growth, social welfare, environmental well-being. In connection with the above, the relevance of the study is to develop a methodology for assessing the functioning of the financial services market, which allows revealing the level of its development from the perspective of ensuring the sustainability of the region’s development. The article uses the method of comparative analysis to study existing approaches to determining the level of development of the financial services market and the method of expert assessments to calculate the weighting coefficients of the methodology indicators in the formation of an integral indicator. The main results of the study are the development of a comprehensive system for assessing the level of development of the financial services market in relation to such areas as economics, society, ecology. The purpose of the study is to develop a methodology for assessing the level of development of the regional financial services market based on the concept of sustainable development. The practical significance of the study lies in the possibility of using the results of the study in the activities of public authorities in the development of regional policy or analysis of socio-economic development of regions in the formation of a strategy within the financial and economic block.
CREATION OF A VECTOR CONSTRUCT FOR THE INACTIVATION OF THE SURFACTIN GENE IN THE GENOME OF THE BACTERIUM BACILLUS SUBTILIS
Authors:   Kazan Federal University, Vasileva Yu.A. , Gilmutdinova A.I. , Khasanov D.I. , Danilova Yu.V. , Rudakova N.L. , Sharipova M.R.
Published: October 2023

This study aims to inactivate genes srfAA, srfAB, srfAC by CRISPR/Cas9 directed editing in Bacillus subtilis sp. to investigate the contribution of surfactin in plant disease control mechanism.
DEGRADATION OF PETROLEUM HYDROCARBONS IN WATER AND SOIL ECOSYSTEMS BY BIOORGANIC COMPOSITIONS BASED ON HUMIC ACIDS
Authors:   Tula State Lev Tolstoy Pedagogical University, Gertsen M.M. , Perelomov L.V.
Published: October 2023

The detoxifying effect of humic acids and oil-degrading bacteria in the relation to oil-contaminated water and soil was studied. Emulsification of toxicants decreases in the series: “HAs + Ps. fluorescens 142NF” > “HAs + R. erythropolis S67”, “Has + R. erythropolis X5”. In soil, the application of the compositions results in a decrease in the toxic level from V (very high content) to I (acceptable content).
RESORBABLE ELECTROSPUN POLY-3-HYDROXYBUTYRATE-CO-4-HYDROXYBUTYRATE NANOMEMBRANES FOR DRUG DELIVERY AND TISSUE ENGINEERING
Authors:   Institute of Biophysics SB RAS, Krasnoyarsk, Dudaev A.E. , Ryltseva G.A. ,   School of Fundamental Biology and Biotechnology, Siberian Federal University, Krasnoyarsk
Published: October 2023

Biodegradable polyhydroxyalkanoates, biopolymers of microbiological origin, consisting of 3- and 4-hydroxybutyrate monomers, were used to obtain by electrospinning nanomembranes loaded with drugs (ceftazidime, doripinem, and actovegin) as cell carriers promising for the treatment of wound defects complicated by infection.
ALLOSTERIC INHIBITORS OF ALOX15 BASED ON LIGANDS PROVIDING MULTIDIRECTIONAL REGULATION OF LINOLEIC AND ARACHIDONIC ACIDS
Authors:   Lomonosov Moscow State University of Fine Chemical Technologies, Zhuravlev A.M. , Aksenov V.V. , Gavrilyuk V.N. , Golovanov A.B. , Ivanov I.V.
Published: October 2023

Mammalian 15-lipoxygenases (ALOX15) are enzymes of lipid peroxidation. The pathophysiological role of ALOX15 metabolites, linoleic acid and arachidonic acid derivatives, has made this enzyme a target for pharmacological studies. Several indole and benzimidazole derivatives inhibit the activity of ALOX15 in a substrate-specific manner, but the molecular basis of this allosteric inhibition remains unclear.
CONSTRUCTION OF A DNA TEMPLATE FOR THE PRODUCTION OF MRNA ENCODING RBD OF THE S PROTEIN OF THE SARS-COV-2 OMICRON BA.2 VIRUS
Authors:   State Research Center of Virology and Biotechnology VECTOR, Koltsovo, Zadorozhny A.M. , Sharabrin S.V. , Rudometov A.P. , Karpenko L.I.
Published: October 2023

The work is devoted to the construction of DNA templates for in vitro production of mRNAs encoding the receptor-binding domain (RBD) of the S protein of the SARS-CoV-2 virus, the genetic variant Omicron BA.2. Three plasmids DNA templates were obtained that encode the RBD protein gene, but differ in that they carry different 5’UTRs and 3’UTRs. A variant of the DNA template was chosen, which provides the synthesis of mRNA-RBD most effectively expressed in eukaryotic cells.
APPLICATION OF THE DESIGN OF EXPERIMENT APPROACH TO REDUCE THE COST OF API
Authors:   Geropharm, LLC, Saint Petersburg, Kazakova A.V. , Ishchuk S.A.
Published: October 2023

This work is devoted to reducing the cost of API by optimizing the technology using the design of experiment approach. Fractional- and full-factorial experiments were carried out for four stages of the process, design fields were built. As a result, the yield of the target product is increased by 30 %, the duration of the process is reduced by 19 h, the cost of the product is reduced by 44 %.
Knowledge and practices toward occupational safety among workers in vibrated block industries: A cross-sectional study
Authors: Eleazar Noah Oloche , Okon Aniekanabasi Jonathan , Bisongedam Marvin Muji , Olanrewaju Olajumoke Esther , Inah Simon Alain , Ugbe Ugbe Maurice-Joel , Achi Favour Inyang-Ogim
Published: October 2023

Objectives:

Workers in block industries are exposed to significant occupational hazards and consequently are at high risk of work-related diseases. This study aimed to determine knowledge and practices toward occupational safety among workers in the Vibrated Block Industries in Calabar Municipality, Cross River State, Nigeria.

Material and Methods:

A descriptive cross-sectional design was adopted using a semi-structured questionnaire to elicit information from 120 workers in 40 vibrated block industries. Data collected were analyzed using IBM Statistical Package for the Social Sciences Statistics version 25. Associations were tested using Chi-square statistics.

Results:

The results indicate that 112 (94.1%) respondents were aware of occupational hazards associated with their job. The majority of the respondents 107 (89.9%) had a good knowledge level of occupational hazards and safety measures. The majority of the respondents 112 (94.1%) reported that personal protective equipment was available in their workstations. Only 54.6% had a good safety practice level. The majority of the respondents 83 (69.7%) knew that their job could pose an adverse effect on their health and 80 (67.2%) reported having experienced one or more health challenges associated with their work. A significant association was found between years of experience and level of safety practice (P = 0.008). The majority of the industries had never been inspected by regulatory agencies.

Conclusion:

The study observes an overall good level of knowledge of occupational hazards but the level of safety practice is poor among block industry workers. Regular monitoring of workers by industry administrators and occasional monitoring of industries by relevant regulatory agencies to ensure adherence to safety measures are imperative.
Analisis Sebaran Limbah Plastik Cup Sebagai Salah Satu Sumber Potensi Bank Sampah Di Kota Pontianak
Authors: Taufani Achmad Ravi , Irsan Robby , Jati Dian Rahayu
Published: October 2023

Fenomena rumah minum saat ini sudah menjadi gaya hidup bagi masyarakat khususnya anak muda, seiring kemajuan teknologi dapat berdampak negatif. Pola kehidupan perkotaan, masyarakat membutuhkan suatu wadah seperti rumah minum yang dapat mereka percayai dalam mengemukakan permasalahan-permasalahan yang dihadapi dalam kehidupannya, atau setidaknya satu tempat dimana mereka bisa berkumpul dan saling berbagi cerita. Penggunaan plastic cup perlu menjadi perhatian karena kini penggunaannya menjadi tren baru mengingat aktivitas rumah minum yang melonjak tinggi. Kecenderungan atau tren ini membuat rumah minum menggunakan kemasan sekali pakai, yaitu plastic cup sebagai alasan praktis dalam penyajian kopi. Sehingga terjadi peningkatan sampah plastic cup di Kota Pontianak akibat peningkatan jumlah rumah minum. Analisis timbulan sampah plastic cup dan potensi nilai ekonomi sampah plastic cup dari aktivitas rumah minum di Kota Pontianak dilakukan untuk menggambarka besaran keuntungan dari sampah plastic cup yan dijual ke bank sampah terdekat dengan rumah minum di tiap kecamatan. Hasil analisis timbulan sampah dan potensi nilai ekonomi sampah plastic cup dari aktivitas rumah minum di Kota Pontianak disajikan dalam bentuk peta. Hasil menunjukkan Timbulan sampah plastic cup dari aktivitas rumah minum di Kota Pontianak mencapai 90,65 kg/hari setara dengan 33.087,25 kg/tahun. Potensi ekonomi sampah plastic cup di Kota Pontianak berdasarkan harga jual bank sampah umum terdekat bahwa nilai ekonomi sampah plastic cup tertinggi berasal dari Kecamatan Pontianak Kota yakni sekitar Rp. 8.337.330,00 dan nilai ekonomi sampah plastic cup terendah berasal dari Kecamatan Pontianak Utara sekitar Rp. 2.838.240,00.
Identifikasi Potensi Abu Terbang (Fly Ash) Sebagai Bahan Pengganti Sebagian Semen Pada Pembuatan Paving Block Ramah Lingkungan
Authors: Syahputra Muhammad Bagus , Jati Dian Rahayu , Saziati Ochih
Published: October 2023

Fly ash merupakan residu dari aktivitas pembakaran batu bara pada pembangkit listrik tenaga uap (PLTU). Fly ash dapat menyebabkan pencemaran udara dan pencemaran tanah, sehingga diperlukan suatu upaya untuk mengurangi pencemaran melalui pemanfaatan dalam menggantikan sebagian semen pada pembuatan paving block. Tujuan penelitian ini ialah menganalisis komposisi yang tepat untuk mencapai kekuatan maksimum paving block, menganalisis nilai grade yang dihasilkan dari pencampuran fly ash dengan  perbandingan (1:4), (1:5), (1:6) dengan total sampel sebanyak 27 benda uji dan menganalisis pengaruh  fly ash sebagai pengganti sebagian semen terhadap sifat fisis paving block sesuai SNI 03-0691-1996. Metode yang digunakan adalah metode eksperimen untuk menghasilkan temuan yang menunjukkan korelasi antara variabel kuat tekan, daya serap air, dan ketahanan aus paving block. Penelitian ini memberikan hasil nilai kuat tekan tertinggi yaitu 27,42 MPa pada komposisi 1:4 kode benda uji A1. Nilai daya serap tertinggi yaitu 4,2% pada komposisi 1:4 kode benda uji A0, sedangkan nilai ketahanan aus tertinggi yaitu 0,131 mm/menit pada komposisi 1:4 kode benda uji A1. Sehingga paving block tersebut dikategorikan dalam mutu kelas B yang dipergunakan untuk pelataran lahan parkir. Penggantian sebagian semen menggunakan fly ash berpengaruh terhadap nilai kuat tekan, daya serap air dan ketahanan aus.
Perencanaan Sistem Jaringan Transmisi Dan Instalasi Pengolahan Air Bersih Desa Datah Diaan Mendalam Kabupaten Kapuas Hulu
Authors: Edwardo Dommy Bung Nemesio , Kartini Kartini , Soeryamassoeka S. B.
Published: October 2023

Desa Datah Diaan Mendalam kecamatan Putussibau Utara yang terletak di kabupaten Kapuas Hulu provinsi Kalimantan Barat merupakan desa yang belum memiliki jaringan pipa transmisi air dan pengolahan air bersih. Penelitian ini bertujuan merancang bangunan intake terapung, Jaringan pipa transmisi dan instalasi pengolahan air bersih desa Datah Diaan. Metode yang dilakukan dalam menganalisis ketersediaan air bersih pada Desa Datah Diaan adalah metode Mock, dalam perencanaan pipa transmisi menggunakan bantuan aplikasi EPANET, untuk perencanaan bangunan intake terapung dengan metode hukum archimedes dan instalasi pengolahan air bersih berdasarkan studi atau literatur mengenai tata cara perencanaan unit instalasi pengolahan air. Hasil perancangan bangunan intake didapatkan dimensi ponton panjang 2,00 m, lebar 0,40 m dan tinggi 0,50 m, perancangan jaringan transmisi dengan diameter pipa 180mm – 200mm, perancangan bangunan instalasi pengolahan air bersih dengan dimensi bak koagulasi panjang 1,50 m lebar 1,00 m dan tinggi 2,0 m, bak flokulasi dengan luas dasar 2,0 m² serta ketinggian air yang berbeda-beda disetiap tahap dengan tahap pertama yaitu 4,0 m, bak sedimentasi dengan panjang 5,0 m, bak filtrasi dengan panjang 4,0 m, dimensi reservoir dengan tinggi bak 3,0 m dan lebar 3,0 m serta panjang 3,0 m.
Strategi Penanganan Permukiman Kumuh Dalam Mendukung Peningkatan Kualitas Lingkungan Hidup Di Kelurahan Karang Anyar Pantai Kota Tarakan
Authors: Marzuki Marzuki , Setianto Yohannes Agus , Sodikin Sodikin
Published: October 2023

The city of Tarakan is one of the target cities for migrants (urbanists) to live in. The economic limitations of migrant communities and local communities to have decent housing will then trigger the growth of new slum settlements. The aim of the study is to evaluate slum management strategies, identify environmental conditions and reformulate slum management program strategies. The research method uses a qualitative descriptive approach. Research tool with Questionnaire and Laboratory Analysis. The research locus was in 12 RT in the Karang Anyar sub-district, Tarakan City. Communal WWTP wastewater samples, solid waste data, river water and clean water. Data analysis used the Pollution Index, Sanitation Risk Index, Quality Standards and Analytical Hierarchy Process (AHP) methods. The results of the research on the evaluation of slum management strategies with a score of 18 so that they are still in mild slum conditions. There are four aspects of the performance achievement level with the realization of a very high performance achievement rate of above 90%, one aspect of a high performance achievement level of above 76%, and the environmental road aspect with an achievement level of 54.01% is a low level of realization. Results Identification of environmental conditions at inlets, outlets, bodies of water with parameters COD, TSS, Ammonia, Oil and Grease did not meet quality standards and analysis of Pollution Index (Pi) in Light Polluted conditions. The quality of waste management is based on the Sanitation Risk Index (IRS) score for 12 RTs with an average high-risk area. Clean Water Quality with parameters (Total Coliform and E. Coli) results meet drinking water quality standards. From the results of the AHP analysis, the Infrastructure and Facilities Development Strategy is a top priority. Consistency value of 0.05 or <0.1 comparison matrix is consistent.
Analisis Kemampuan Penyediaan Air Bersih PDAM Tirta Raya Untuk Daerah Pelayanan Desa Kapur Kabupaten Kubu Raya
Authors: Cahyani Larasati Dwi , Purnaini Rizki , Utomo Kiki Prio
Published: October 2023

Kebutuhan air bersih suatu wilayah ditentukan oleh pertambahan penduduk dan urbanisasi. Selain itu, distribusi air yang memadai harus mampu memenuhi kebutuhan masyarakat akan air bersih dan mendapatkan dukungan dari masyarakat umum. Tujuan dari penelitian ini adalah untuk mengetahui seberapa besar kebutuhan air bersih di wilayah pelayanan Desa Kapur., mengetahui kemampuan penyediaan air bersih IPA Kapur Tirta Raya untuk mencukupi kebutuhan air bersih di daerah pelayanan Desa Kapur dan mengetahui perbandingan antara kebutuhan air bersih daerah pelayanan Desa Kapur dengan kemampuan penyediaan air IPA Kapur Tirta Raya. Metode penelitian dengan menyebarkan kuesioner kepada 100 responden masyarakat Desa Kapur untuk mengetahui besar kebutuhan atau pemakaian air yang digunakan. Hasil dari penelitian ini yaitu total kebutuhan air bersih di Desa Kapur sebesar 1.521.537 liter/hari, dengan kebutuhan pada jam puncak sebesar 2.191.541 liter/hari. Kapasitas IPA yang ada saat ini sebesar 20 liter/detik tidak cukup untuk memenuhi seluruh kebutuhan air penduduk Desa Kapur. Kebutuhan penduduk di wilayah layanan Desa Kapur bisa terpenuhi dengan adanya IPA baru yang berkapasitas 100 liter/detik. Kapasitas 100 liter/detik dari IPA Kapur memenuhi seluruh kebutuhan air bersih dari 18% populasi desa tersebut, dan pada jam sibuk, kebutuhan air mencapai 25% dari total output. Kapasitas produksi yang tersisa digunakan untuk desa lain yang dilayani.
Perencanaan Tempat Pengolahan Sampah (TPS) 3R Di Desa Mekar Raya, Kecamatan Simpang Dua, Kabupaten Ketapang
Authors: Reformasi Murdiana Erlina , Fitrianingsih Yulisa , Purnaini Rizki
Published: October 2023

Desa Mekar Raya merupakan salah satu Desa di Kecamatan Simpang Dua, Kabupaten Ketapang, kondisi eksisting pengolahan sampah di Desa Mekar Raya belum terlaksana dengan baik dikarenakan masih kurangnya sarana pengolahan sampah seperti TPS, dan wadah sampah komunal lainnya, sehingga diperlukan suatu upaya untuk menangani sistem pengolahan sampah dengan merencanakan TPS 3R dengan acuan Petunjuk Teknis TPS 3R Tujuan perencanaan yaitu untuk mengetahui dan menganalisis kondisi eksisting pengolahan sampah, mengetahui dan menganalisis besar timbulan, komposisi, densitas sampah dan merencanakan desain TPS 3R yang sesuai dan dapat diterapakan. Perencanaan ini dilakukan dengan melakukan sampling timbulan, densitas dan komposisi sampah sesuai dengan SNI-19-3964 serta wawancara dan kuesioner untuk memperoleh hasil penilaian lokasi terpilih berdasarkan variabel dan indikator yang telah ditentukan. Pengolahan sampah di Desa Mekar Raya menerapakan sistem pengumpulan, pembuangan, pengangkutan dengan wadah tercampur. Timbulan sampah yang dihasilkan 0,22 kg/org/hari, atau 0,0015 m3 /org/hari. Proyeksi timbulan sampah tahun 2032 yaitu 2,68 m3 /hari. Komposisi sampah domestic didominasi oleh sampah organik dengan persentase 53%, sedangkan komposisi sampah non-domestik didominasi oleh sampah kertas dengan persentase 31,01%. Perencanaan TPS 3R ini memerlukan lahan 214 m2 . Pengolahan sampah yang direncanakan yaitu pengolahan sampah organik menjadi kompos dengan metode boks bata berongga, yang terdiri dari lahan penerima, ruang penyimpanan, ruang pencacahan, ruang pengayakan, pengemasan dan gudang kompos, sedangkan sampah anorganik berupa plastik dan botol akan diolah menjadi produk kerajinan tangan yang terdiri dari ruang pemilahan, penyimpanan, pencucian, dan pengeringan. Rancangan Anggaran Biaya yang diperlukan sebesar Rp. 2.861.734.069.
Perbandingan Penggunaan Desinfektan Kalsium Hipoklorit (Ca(OCl)2) Dan Natrium Hipoklorit (NaOCl) Pada Air Olahan Perumda Air Minum Tirta Khatulistiwa
Authors: Wiranti Puji , Kadaria Ulli , Desmaiani Herda
Published: October 2023

PERUMDA Air Minum Tirta Khatulistiwa selaku badan usaha milik daerah yang bergerak dibidangusaha penyedia air minum di kota Pontianak, PERUMDA harus memenuhi parameter yang telahditetapkan pemerintah yaitu PERMENKES Republik Indonesia No. 492/Menkes/SK/IV/2010tentang persyaratan kualitas air minum. Salah satu parameter yang ditetapkan dalam peraturantersebut adalah parameter mikrobiologi dengan indikator kandungan bakteri e.coli dalam air minumsebanyak 0 per 100 ml sampel. Adanya kandungan bakteri Escherichia coli dalam air minum dapatmenjadi penyebab water disease. Pemusnahan bakteri dapat dilakukan dengan desinfeksi.Desinfeksi merupakan penyempurnaan dalam pengolahan air minum berupa proses pemberiandesinfektan yang bertujuan untuk membunuh mikroorganisme pathogen. Kaporit dan natriumhipoklorit merupakan jenis desinfektan yang dapat digunakan untuk menyisihkan kandungan bakterie.coli didalam air. Namun, penggunaan kaporit yang berlebihan dapat menimbulkan sisa khlorberlebih yang dapat mengganggu kesehatan manusia. Penelitian ini akan membandingkan efektifitas desinfektan kaporit dan natrium hipoklorit terhadap bakteri e.coli pada air pengolahan unit filtrasiIPA IV di PERUMDA Air Minum Tirta Khatulistiwa Pontianak. Menentukan kadar optimum desinfektan dilakukan percobaan jartest dengan dosis masing-masing 0,1;0,2;0,3;0,4;0,5;0,6 mg/Ldengan pengadukan kecepatan 40 rpm selama 5 menit. Dari percobaan diperoleh dosis optimum kaporit 0,5 mg/L dengan sisa khlor 0,74 mg/L dan penyisihan bakteri e.coli sebesar 94,%. Percobaanpada desinfektan natrium hipoklorit diperoleh dosis optimum 0,3 mg/L dengan sisa khlor 0,59 mg/L dan penyisihan bakteri e.coli sebesar 86,9%Kata Kunci: E.coli, Kaporit, Natrium Hipoklorit, Sisa Khlor
Resonance Enhancement of Vibrational Polariton Chemistry Obtained from the Mixed Quantum-Classical Dynamics Simulations
Authors: Hu Deping , Ying Wenxiang , Huo Pengfei
Published: October 2023

We applied a variety of mixed quantum-classical (MQC) approaches to simulate the VSC-influenced reaction rate constant. All of these MQC simulations treat the key vibrational levels associated with the reaction coordinate in the quantum subsystem (as quantum states), whereas all other degrees of freedom (DOFs) are treated inside the classical subsystem. We find that as long as we have the quantum state descriptions for the vibrational DOFs, one can correctly describe the VSC resonance condition when the cavity frequency matches the bond vibrational frequency. This correct resonance behavior can be obtained regardless of the detailed MQC methods one uses. The results suggest that the MQC approaches can generate semi-quantitative agreement with the exact results for rate constant changes when changing the cavity frequency, the light-matter coupling strength, or the cavity lifetime. The finding of this work suggests that one can use computationally economic MQC approaches to explore the collective coupling scenario when many molecules are collectively coupled to many cavity modes in the future.
CuOx – enriched Co3O4 surfaces enable selective formaldehyde sensing at low temperature
Authors: D'Andria Matteo , Krumeich Frank , Wang Ryan , Güntner Andreas
Published: October 2023

Designing highly reactive surface clusters at the nanoscale on metal-oxide supports enables selective molecular interactions in low-temperature catalysis and chemical sensing. Yet, finding effective material combinations and identifying the reactive site remains challenging and a key obstacle for rational catalyst/sensor design. Here, we demonstrate the low-temperature oxidation of formaldehyde with CuOx clusters on Co3O4 nanoparticles yielding an excellent sensor for this critical air pollutant. When fabricated by flame-aerosol technology, such CuOx clusters are finely dispersed onto the surface, while some Cu ions are incorporated into the Co3O4 lattice enhancing thermal stability. Most importantly, infrared spectroscopy of adsorbed CO and temperature-programmed reduction in H2 identified Cuδ+ species in these clusters as active sites. In fact, its surface concentration correlated with the apparent activation energy of formaldehyde oxidation (Spearman’s coefficient ρ = 0.89) and sensor response (0.96). At optimal composition, such sensors detected even the lowest formaldehyde levels of 3 parts-per-billion at 75 °C, superior to the state-of-the-art sensors. Also, selectivity to other aldehydes, ketones, alcohols, and inorganic compounds, robustness to relevant humidity levels and stable performance over 4 weeks were achieved, rendering such sensors promising as low-power gas detectors in air and food quality control as well as in health monitoring.
Investigation of the Stability of D5SIC-DNAM-Incorporated DNA duplex in Taq Polymerase Binary system: A Systematic Classical MD Approach
Authors: Debnath Tanay , Cisneros G. Andrés
Published: October 2023

DNA polymerases are fundamental enzymes that play a crucial role in processing DNA with high fidelity and accuracy ensuring the faithful transmission of genetic information. The recognition of unnatural base pairs (UBPs) by polymerases, enabling their replication, represents a significant and groundbreaking discovery with profound implications for genetic expansion. Romesberg et al. examined the impact of DNA containing 2,6-dimethyl-2H-isoquiniline-1-thione: D5SIC (DS) and 2-methoxy-3-methylnaphthalene: DNAM (DN) UBPs bound to T. aquaticus DNA polymerase (Taq) through crystal structure analysis. Here, we have used polarizable and nonpolarizable classical molecular dynamics (MD) simulations to investigate the structural aspects and stability of Taq in complex with a DNA duplex including a DS-DN pair in the terminal templating and priming positions. Our results suggest that the flexibility of UBP-incorporated DNA in the terminal position is arrested by the polymerase, thus preventing fraying and mispairing. Our investigation also reveals that the UBP remains in an intercalated conformation inside the active site, exhibiting two distinct orientations in agreement with experimental findings. Our analysis pinpoints particular residues responsible for favorable interactions with the UBP, with some relying on van der Waals interactions while others on Coulombic forces.
Nuclear quantum effects in hydroxide hydrate along the H-bond bifurcation pathway
Authors: Arandhara Mrinal , Ramesh Sai G.
Published: October 2023

Path integral simulations are used to explore nuclear quantum effects (NQEs) in hydroxide hydrate and its perdeuterated isotopomer along the H-bond bifurcation pathway. Towards this, a new PES using the symmetric gradient domain machine learning method with ab initio data at the CCSD(T)/aug-cc-pVTZ level is built. From path integral umbrella sampling simulations, free energy profiles along the bifurcation coordinate are explored as a function of temperature. At ambient temperature, the bifurcation barrier is increased upon the inclusion of NQEs. At low temperatures in the deep tunneling regime, the barrier is strongly decreased and flattened. These trends are examined and the role of the O-O distance is also investigated through two-dimensional umbrella sampling.
Exploring Spin Dynamics in Diatomic Co₂ Catalysts on Graphyne for Enhanced CO Electroreduction
Authors: Zhuang Gui-lin , Zhao Shuang-te , Zhang Wei , Zhang Xue-long , Lin Cun-biao , Chen Wen-xian
Published: October 2023

Investigating spin dynamics in electrocatalysis is crucial for the rational design of paramagnetically heterogeneous catalysts. Utilizing spin-polarized density functional theory (DFT) calculation, herein, we identify spin dynamic of diatomic Co₂-supported γ-graphyne (Co2-GY) catalysts during the process of CO electroreduction ( eCORR ), focusing on the effect of the applied potential and acidy on spin dynamic and catalytic performance. Specially, the obtained Co2-GY shown a new efficient C2 pathway of CH2* + CHO* coupling mechanism, resulting in the optimal CH3CH2OH product with ∆G of 0.50 eV and the selectivity of 99.99% under alkaline condition. Under acidic media, Co2-GY exhibited the optimal C1 product (CH3OH) with ∆G of 0.27 eV and the selectivity of 99.99%. During CO electroreduction, the reaction environment (pH and applied potential) influences spin dynamics in catalyst-reactant systems, affecting the spin transition of diatomic Co2 active sites among four magnetic states: ferromagnetic, antiferromagnetic, paramagnetic, and diamagnetic. These finding will be helpful for rational design of transition-metal heterogeneous catalysts.
The Free Energy Density of a Fluid and its Role in Solvation and Binding
Authors: Gilson Michael K. , Kurtzman Tom
Published: October 2023

The concept that a fluid has a position-dependent free energy density appears in the literature but has not been fully developed or accepted. We set this concept on an unambiguous theoretical footing via the following strategy. First, we set forth four desiderata that should be satisfied by any definition of the position-dependent free energy density, f(R), in a system comprising only a fluid and a rigid solute: its volume integral, plus the fixed internal energy of the solute, should be the system free energy; it deviates from its bulk value, f_bulk, near a solute but should asymptotically approach f_bulk with increasing distance from the solute; it should go to zero where the solvent density goes to zero; and it should be well-defined in the most general case of a fluid made up of flexible molecules with an arbitrary interaction potential. Second, we use statistical thermodynamics to formulate a definition of the free energy density that satisfies these desiderata. Third, we show how any free energy density satisfying the desiderata may be used to analyze molecular processes in solution. In particular, because the spatial integral of f(R) equals the free energy of the system, it can be used to compute free energy changes that result from the rearrangement of solutes, as well as the forces exerted on the solutes by the solvent. In particular, we discuss the thermodynamic analysis of water in protein binding sites to inform ligand design. Finally, we discuss related literature and address published concerns regarding the thermodynamic plausibility of a position-dependent free energy density. The theory presented here has applications in theoretical and computational chemistry and may be further generalizable beyond fluids, such as to solids and macromolecules.
STEM Based Innovative Thinking Skills and Attitudes towards Digital Technology in Robotic Coding and 3D Printer Applications
Authors: GÜLERYÜZ Hasan
Published: October 2023

The aim of this study is to determine STEM-based innovative thinking skills and attitudes towards digital technology in robotic coding and 3D printer applications with 45 teacher candidates participating in the research. Quantitative research method was used. The research lasted 12 weeks. Innovative thinking skills scale and attitude scales towards digital technology were used. The research was conducted in the form of pretest and posttest. It is seen that there is a significant positive difference in the innovative thinking skills of the teacher candidates and their attitudes towards digital technology. In the STEM-based research, robotic coding and 3D printing training was given. In this context, three different applications were made regarding traffic lights. In robotic coding applications, Tinkercad, Arduino IDE and Fritzing programs for circuit diagrams, Tinkercad 3D in 3D printing applications and Zaxe PLA for slicing were taught. (SPSS-21.00) program was used to analyze the data and t test was applied for dependent samples. It was determined that the teacher candidates had innovative thinking skills attitudes (t=-23.33; p
Culture, Motivation, and Performance: Remote and Workplace Dynamics in Organizations
Authors: AL Begüm
Published: October 2023

In this study, a divergence in the perceptions of organizational culture between workplace and remote employees within Turkish banks was examined. Workplace employees viewed the culture as bureaucratic yet also innovative and supportive, contrasting with remote employees' perspectives. The research uncovered distinct working styles that significantly influenced job performance, with remote workers displaying a notably positive impact. However, significant differences in the effects of job satisfaction and motivation on job performance between the two groups are not detected. An unexpected discovery was the reverse relationship between a supportive organizational culture and job performance among remote employees. Organizational commitment had a positive influence on job performance for all employees, emphasizing its role in enhancing job satisfaction and performance. This research contributes to the understanding of the intricate relationship between organizational culture and employee performance, in the context of remote and workplace workers. The findings suggest that non-monetary factors significantly motivate employees, with workplace employees emphasizing effective communication and teamwork, while remote workers prioritize effective planning and task execution. While the study provides insights, its industry-specific focus and sample size limitations should be considered for future research to explore these complex relationships in more diverse contexts.
The Role Of Networks In The Early Internationalization Of Emerging Market Firms: Evidence From Turkish Textile-Born Globals with Social-Business Networks Perspective
Authors: BERBER Şayan , CAN Esin
Published: October 2023

Bu çalışma, gelişmekte olan ülke pazarlarından biri olarak görülen Türkiye’de, tekstil sektöründe faaliyet gösteren küresel doğan işletmelerin erken uluslararasılaşmasında ağ ilişkilerinin rolünü, sosyal ve iş ağı perspektifleri bakış açısıyla çift odaklı olarak, vaka temelli bir yaklaşım altında incelemektedir. Gelişmekte olan ülkeler ve düşük teknolojili sektörlerdeki KOBİ’lerin erken uluslararasılaşma davranışları ile ilgili araştırma boşluğundan yola çıkılarak organize edilen çalışmanın, gelişmekte olan bir ülke piyasası ve geleneksel bir sektörden konuyu ele alarak uluslararasılaşma literatürüne katkı sağlayacağı düşünülmektedir. Araştırma sonuçları, ağ ilişkilerinin küresel doğan işletmelerin erken uluslararasılaşmasında önemli rol oynadığını göstermektedir. Uluslararasılaşmada ağ ilişkilerinden işletmelerce elde edilenler; yabancı pazar fırsatlarının tanımlanması ve pazar bilgisi oluşturulması, yabancı pazar ve giriş yöntemi seçimi, kaynak kısıtlarının aşılması ve riskin azaltılması, operasyonel destek, önemli aktörlere erişim, manevi destek ile güven olmak üzere 7 başlık altında bulgulanmıştır. Hem sosyal hem de iş ağlarının erken ve hızlı uluslararasılaşmada etkili olduğu, bu etkinin daha önemlilik doğrultusunda kolayca kategorize edilemeyeceği bulunmuştur.
White Collar Crime: Awareness and Perception Analysis
Authors: KARAARSLAN Kübranur , DEMİRDEN Ahmet
Published: October 2023

The present study comparatively examined the perceptions and experiences of participants on white-collar offences in relation to traditional street level offences in the cities of Ankara and Eskişehir. For this objective, a wide range of information was collected, including the perceived seriousness of offences, victimization, high risk behaviors that may be related to victimization, crime control, and the perceived victim profile. A total of 381 participants living in Ankara and Eskişehir were selected via convenience sampling methods. The results were analyzed with descriptive statistics as well as T-test, and ANOVA. The results revealed that the participants perceive white-collar offences as significantly serious criminal acts in comparison to common street level offences and that they believe that states should allocate equal funds to white-collar offences as well as common street level offences. We also found that there were significant differences between the participants' attitudes towards the potential victim profile and their attitudes towards actual victims. The findings are believed to be significant for law enforcement agencies, consumer protection organizations and other experts working in the field.
Investigation of The Impulsivity Levels and Substance Use Characteristics of Recidivists
Authors: ŞEKER Fatma Dilek , ZENGİN TAŞ Esin
Published: October 2023

Prevention of recidivism is the most important goal of today's criminal justice system. The aim of this study, which was designed in a cross-sectional design, was to examine the impulsivity levels and addiction characteristics of convicts with recidivism behavior and to reveal the factors that may be related. The sample of the study consisted of 230 male convicts in four different penal execution institutions; 100 of whom having a one-time offense history, and 130 with a history of recidivism. Personal information form, Barratt Impulsiveness Scale-11 (BIS-11) and Addiction Profile Index (API) were used as data collection tools. The findings of the study showed that lifetime substance use and risky substance use rates of recidivists were statistically significant compared to those without recidivism; impulsivity scores of recidivists were significantly higher than those of first-time offenders; and impulsive behavior increased as the severity of addiction increased in recidivists. As a result of the research, it was revealed that substance use and impulsivity may be a risk factor for re-offending. In this sense, it is thought that it is very important to carry out intervention programs effectively in both penal institutions and probation directorates within the criminal justice system in order to prevent recidivism and support rehabilitation.
KAJIAN SOSIOLOGI SENI MASJID AL-IRSYAD PARAHYANGAN BANDUNG
Authors: Pertiwi Elianna Gerda
Published: October 2023

Bandung Al-Irsyad mosque is a mosque with a unique form of architecture resembles the Ka’bah. Designed by Ridwan Kamil, this building become famous building in the world. A prestigious award as the five major building of the year 2010 by the National Frame building Association, this mosque become one of the Bandung mainstay tourist destination. This research focus is to dismantle the art contruction suport in the journey of Bandung Al-Irsyad mosque into a high art. To understand the social precesses of this mosque, using the approach in his sociology by Zolberg “Construsting a Sociology of the Art” which suggests that the phenomenon of art is influenced by a social process, the artist, and structural support. This research resulted in the conclution that the creation of a great work of art that could not be separated from the contruction of the rule of art. The artist and the community support for the arts is very important in the development of art work. So that is becomes a high art work. Bandung Al-Irsyad mosque designed by a integrated professional artist with his prestigious awards has received makes this mosque into a very high artist value. Simple and futuristic design is a represent of urban culture. Make it more acceptable to the public.
Can TGF-β Differentiate Fibroblasts and Endothelial Cells into CAFs?: A Research Protocol
Authors: Tkatchouk Mila E.
Published: October 2023

Introduction: Pancreatic ductal adenocarcinoma (PDAC) is one of the most lethal forms of cancer in Canada. Tumour metastasis contributes to most of the deaths, a process heavily influenced by cancer-associated fibroblasts (CAFs). While the functions of CAFs have been widely researched, such as their metastasis-promoting secretion of growth factors, their origins remain unclear. This research protocol, therefore, seeks to confirm that PDAC cells are capable of differentiating both fibroblasts and endothelial cells into CAFs by secreting transforming growth-factor beta (TGF-β). Methods: The effects of culturing Hs68 fibroblasts and HMEC-1 endothelial cells in media containing TGF-β will be examined using media supplemented with TGF-β and conditioned media obtained from PANC-1 cells. To confirm these results, TGF-β receptor-inhibited cells will be included also. Proliferation assays, migration assays, RT-qPCR, and western blotting will then be used to determine successful differentiation into CAFs. Results: It is expected that the presence of TGF-β in culture media will lead to the increased proliferation, migration, and presence of CAF cell markers within the cell culture. The inhibited conditions grown in standard media with the added factor are expected to be comparable to their control groups. The same is expected of the inhibited HMEC-1 cells grown in PANC-1 conditioned media, however the Hs68 culture should more closely resemble its uninhibited condition. Discussion: The increased results described above for the uninhibited conditions grown in TGF-β-containing media would indicate the following; that this factor is capable of differentiating Hs68 and HMEC-1 cells into CAFs, and that PANC-1 cells are capable of initiating this change. This would be confirmed by the lack of difference between the inhibited versus control conditions; showing that this secreted factor is indeed responsible for these effects. Conclusion: The results from this protocol will help to solidify fibroblasts and endothelial cells as origins of CAFs, and TGF-β as a CAF-generating factor. By knowing more about their origin, the development of new potential drugs that target the formation of TGF-β is possible. Further directions could include the possibility of in vivo experiments confirming the results of this protocol.
Characterization of cognacs and grape brandies by fluorescence spectra processed using machine learning methods
Authors: Sahakyan A. V. , Alenichev M. K. , Levin A. D.
Published: October 2023

A method for express characterization of cognacs and grape brandies is proposed in the case study of their classification by geographical origin. The method is based on the use of informative fragments of fluorescence spectra of samples of different geographic origin and their subsequent processing using machine learning algorithms. Three types of fluorescence spectra were selected, i.e., spectra of synchronous scanning at a wavelength difference of 50 nm, and emission spectra at an excitation wavelength of 250 and 280 nm. These spectra were measured for 43 samples of cognacs and grape brandies, which were divided into 3 classes according to their geographical origin, the regions of the Russian Federation (except for Dagestan), the Republic of Dagestan (Russian Federation), and the Republic of Armenia. A training set consisting of 33 samples and a test set consisting of 10 samples were formed from the samples under study. To train the models, an extreme gradient boosting, one of the modern machine learning algorithms, was chosen as suitable for a limited number of samples in the training set. The correctness of the sample recognition of the test set (consisting of 10 samples not used in training) was 100% for models based on emission spectra and spectra of synchronous scanning. The results obtained demonstrate the fundamental possibility of using informative fragments of fluorescence spectra in combination with machine learning to characterize cognacs and grape brandies, including their classification by the geographical origin. However, the use of this method in regulated procedures of the product control is possible only for cognacs and grape brandies with a protected geographical indication (designation of the origin). The above approach can also be used to classify other liquid food products (juices, honey, etc.).
Structural and functional regularities of the damage accumulation and failure in metals under dynamic loading and wear
Authors: Petrova I. M. , Marchenko E. A. , Khrushchov M. M. , Buyanovskii I. A.
Published: October 2023

The effect of damage caused by friction and wear on the accumulation of fatigue damage in the near-surface layers of the material used in technical systems operating under dynamic loading is studied. A comparative study of the samples of carbonized Cr – Mn – Si steel under ultrasonic loading in the range up to 109 cycles and the samples of steel 45 loaded at a permanent frequency of 100 Hz to simulate conditions of tribological tests for frictional fatigue revealed the same types of damage occurring in the characteristic frequency ranges of loading. To assess the effect of friction fatigue on damage accumulation and the probability of operational failures the authors have supposed that the processes of structural damage accumulation in cyclic and frictional fatigue are similar. The analysis of experimental data on the behavior of the friction coefficients and the magnitudes of broadening X-ray lines which characterize changes in the dislocation structure of the metallic structural materials (steels and titanium alloys) upon friction and the friction fatigue curves confirmed that the process of friction fatigue failure occurs via the mechanisms of low and high cycle fatigue that proves the validity of the proposed approach. The calculation results for the probability of the compressor failure are presented as an example. The calculations are based on the friction fatigue curves in a wide range of loading cycles obtained upon testing the crankshaft neck. The use of friction fatigue curves thus obtained provided assessment of the effects of combined action of the dynamic loading and friction, resulting in increased gaps and the dynamic loads (due to the wear of contacting parts) on the fatigue damage accumulation, durability and the reliability of the mechanical systems during operation.
ECONOMIC SECURITY AS A TOOL FOR ITS SUSTAINABLE DEVELOPMENT IN THE CONTEXT OF SANCTIONS
Authors:   S.Yu. Witte Moscow University, Egorova Natal’ya N.
Published: October 2023

The paper studies current issues of sustainable development for the organization in the context of sanctions. It defines the role of ensuring the economic security of the organization in sustainable development under the sanctions impact on the Russian economy. Diagnostics of threats to the economic security of the organization, taking into account the categories of diagnostics, is carried out, external, sectoral and internal assessment is presented. To determine the quantitative indicator of the level of sustainable development of the organization, a differentiated approach is taken into account, based on the analysis and calculation of a number of indicators and types of sustainability of the organization, which determine the position and measures necessary to ensure its economic security. Indicators of diagnostics of threats to economic security made it possible to identify external, internal and sectoral factors of sustainable development for the organization. The conducted marketing analysis – PEST-analysis of external threats to economic security determined the likelihood of threats or the formation of favorable conditions in the sustainable development for the organization. In the course of the analysis, possible causes of changes occurring in the organization are identified, taking into account the impact of a certain factor on its activities. The author looks at economic security a tool for the organization sustainable development in the current conditions of sanctions pressure on the Russian economy and for building its trajectory. The study concluded that, despite the solution of problematic issues by the state in the form of tax benefits, subsidies and financial support for business, still it is necessary in our opinion to strengthen strategic approaches in the context of the above – to direct efforts to developing the economic security institution.
THE ROLE OF THE FINANCIAL MARKET IN ENSURING THE ECONOMIC GROWTH AND DEVELOPMENT OF THE RUSSIAN FEDERATION (PART 2)
Authors:   Russian State University for the Humanities, Gukovskaya Anastasiya A. , Nezamaikin Valerii N. ,   Russian State University for the Humanities,   Financial University under the Government of the Russian Federation, Osipovskaya Anna V. ,   Russian State University for the Humanities
Published: October 2023

The article presents the results of a study of the main changes taking place in ensuring economic growth and development of the Russian Federation insofar the financial market. The relevance of the issues is due to the need of studying methodological approaches to the impact of finance as a factor in the acceleration, or, conversely, inhibition of socio-economic development of the world and Russian society. The role and functions of the stock market depend on the entities that are involved in a specific segment of the financial system. For individuals, the securities market acts as a tool for investing personal capital in order to increase it. For companies, the stock market is one of the main methods of attracting external financing. And it is precisely the functions of accumulation and attraction of funds that serve as the basis for creating prospects for the development of the securities market in the state economy. The current trend of the Russian stock market is characterized by a downward trend. It is due to the influence of various challenges that form obstacles to its further development. Hence the decline in the level of investment attractiveness of securities of Russian issuers. Therefore, it is necessary to develop measures aimed at improving the efficiency of the system of state regulation of the securities market.