bluuebunny/crossref_metadata_2025 huggingface dataset:
FUNCTIONING OF ADVENTIST COMMUNITIES IN TRANSCARPATHIA IN CONDITIONS OF CRISIS PHENOMENA: ANTI-RELIGIOUS STATE POLICY AND THE INTERNAL DIVISION DURING THE “STAGNATION”, 1965–1985
Authors: Tershak Anatoliі
Published: April 2022

The article attempts to analyze the functioning of the Seventh-day Adventist religious community in Transcarpathia in the conditions of crisis phenomena anti-religious policy of state bodies and internal crisis during the “stagnation” of 1965–1985. For this purpose, a wide archival and scientific base was involved, which helped to carry out a deep comprehensive analysis of this topic. It was found that with the liquidation of the spiritual center and a powerful anti-religious campaign, the religious community was on the verge of ceasing to exist in the Soviet Union. In such extremely difficult conditions, religious leaders managed to adapt to negative circumstances, maintain the administrative vertical and gradually develop the religious community. An organizational samizdat was formed on the territory of Transcarpathia. Carrying out planned religious activities, the Adventist community of Transcarpathia slowly developed, expanding the existing network.
THE «HIS ROYAL MERCY» CITY OF LUTSK AT THE END OF 1780-s
Authors: Blyzniak Mykola
Published: April 2022

The article analyzes the main aspects of socio-economic development of the city of Lutsk in the last decade of the 18th century on the basis of lustration of Lutsk eldership. Some aspects of daily life of the Lutsk residents and their relationship with the magistrate have been revealed. Artisan shops working days of the city and their struggle for rights and privileges received from monarchs in the 16th and 17th centuries have been characterized. The specifics of the development of ethnic communities of Lutsk are highlighted. The important facts of commodity-money relations are presented. An attempt to outline the demographic aspects in the history of the city has been made. The struggle of the progressive part of philistinism led by a burmistr P. Dastkevych against the headman governor and his superiors in the context of reforming of urban life in the Polish-Lithuanian Commonwealth has been reflected. A part of a settlement lustration of 1789 has been published enabling better understanding of urban processes, making public the names and surnames/nicknames of Lutsk property owners, and clarifying their topography.
THE IMAGE OF TARAS SHEVCHENKO IN THE CREATIVE HERITAGE OF VOLODIMIR SHAYAN: "THE PROPHET OF THE LIGHT MISSION OF UKRAINE"
Authors: Smorzhevska Oksana
Published: April 2022

Studying Volodymyr Shayan's interpretation of the figure of Taras Shevchenko, his role in the history of Ukraine, his influence on literature, his messianic role for the Ukrainian people is an important aspect of understanding the historical context of the Ukrainian diaspora. In his works, V. Shayan deeply immersed himself in the analysis of the creative heritage of Hryhoriy Skovoroda, Ivan Franko, Lesia Ukrainka, their worldviews, influence on the Ukrainian people, its culture and history. V. Shayan considered the work of Taras Shevchenko as a world phenomenon. The events of Khmelnytsky's time were embodied in Skovoroda's philosophical system. From all this was born the genius of Shevchenko. This is exactly what the spiritual chain of awakening and creation of the Ukrainian nation according to Shayan looks like. Kobzar was perhaps the most glorious warrior-hero, with a ruthless weapon – the word. V. Shayan uses the example of Taras Shevchenko's poetic work to analyze his biography in the context of the time when Kobzar lived and worked. For Shayan, Shevchenko is an incredible artist-prophet-thinker-fighter of world scale. Taras Shevchenko, his work, his spiritual mission became an important component in the life of the Ukrainian diaspora of the twentieth century. The study of V. Shayan's works, in particular those dedicated to Taras Shevchenko, shows us the worldview of a certain part of the Ukrainian diaspora of the twentieth century, its mood and aspirations, as well as the connection with the homeland through history, culture and religion.
AT THE FINAL STAGE OF CONSOLIDATION: THE ACTIVITIES OF UKRAINIAN ORGANIZATIONS IN CANADA IN THE CONTEXT OF THE FORMATION OF A UNIFIED REPRESENTATIVE BODY (1938-1940)
Authors: Krukovsky Vitaliy
Published: April 2022

The aim of the article is to analyze the events concerning the formation and activity of Ukrainian diaspora organizations in Canada, their further consolidation around one leadership – the Ukrainian Canadian Committee, established in Winnipeg on November 7, 1940. Almost twenty years have passed since the defeat in the First Liberation Struggle. At that time, the Ukrainian people lived in difficult and tragic conditions as a result of the occupation of their lands by Soviet Russia, Poland, Czechoslovakia, and Romania. Dnieper Ukraine was conquered by the Soviet totalitarian regime, which continued the policy of destroying Ukrainians as a nation by suppressing any uprisings and other manifestations of civil disobedience. A similar policy was pursued by the Polish government in western Ukraine for the same purpose, with repressions against Ukrainian patriots and ordinary Ukrainians. Any activity of organized Ukrainian communities and associations undesirable for the occupiers was persecuted, and the autochthonous population of Ukrainian ethnic lands was replaced. In addition, the colonizers destroyed the intellectual elite of the enslaved country – scientists, writers. Given these circumstances, some Ukrainians were forced to seek a better fate in other countries, including Canada. It has been proven that no country in the world – neither Soviet Russia, nor Poland, nor Czechoslovakia, nor Romania, nor Hungary – has ever been interested in and supported the restoration of Ukrainian statehood. Global trends towards the Ukrainian people have forced various Ukrainian public and political organizations to unite into one structure. The publication reflects how the Ukrainian diaspora rallied to preserve Ukrainian culture and the national and political identity of Ukrainians, and their leaders found common ground with the assistance of the Government of Canada.
Evaluasi Pelaksanaan Peraturan Presiden Republik Indonesia Nomor 54 Tahun 2010 Tentang Pengadaan Barang/Jasa Pemerintah Pada Dinas Pendidikan Kabupaten Pelalawan
Authors: Afrizal Afrizal , Karya Detri
Published: April 2022

Dalam sebuah organisasi termasuk pemerintahan daerah, apapun bentuknya dalam melaksanakan kegiataan tentunya memerlukan sarana dan prasarana pendukung, baik berupa dana, barang maupun sumberdaya manusia. Kegiatan atau aktivitas suatu entitas/organisasi pemerintah, yang sehari-harinya melaksanakan pekerjaan sesuai dengan tugas pokok dan fungsinya (tupoksi) akan selalu dijumpai suatu kegiatan yang aktivitasnya melakukan pengadaan (procurement). Evaluasi merupakan salah satu cara yang dilakukan dalam lingkup metode dan teknik kontrol.  Teknik kontrol tersebut menurut Ndraha dilakukan sebelum, sepanjang dan sesudah suatu kebijakan dilaksanakan.  Tipe Penelitian yang digunakan dalam penelitian ini adalah penelitian kualitatif dengan pendekatan deskriptif. Metoda kualitatif merupakan suatu sasaran yang dapat diamati sebagaimana ia terlihat, terdengar, tercium, terbaca atau memperlihatkan dirinya, penampakan tersebut sewajar mungkin, jika itu informasi, maka informasi itu direkam (dicatat) sebagaimana ia keluar dari sumbernya. Hasil penelitian ini yaitu Ketersediaan sarana dan prasarana penunjang kegiatan pengadaan barang/jasa yang bersifat e-procurement, pada institusi Layanan Pengadaan Secara Elektronik (LPSE) Kabupaten Pelalawan belum memadai.  Kendala yang sering terjadi adalah sulitnya masyarakat dalam melakukan proses upload/pendaftaran berkas dan mengakses situs http://lpse.pelalawankab.go.id/ .  Hal ini disebabkan oleh masih rendahnya kapasitas server dan jaringan yang disediakan. Serta Masih adanya oknum-oknum yang yang tidak memiliki komitmen yang tinggi dalam melaksanakan tugas dan fungsinya khususnya dalam kegiatan pengadaan barang/jasa yang dilaksanakan, memperkaya diri sendiri dan menyalahi aturan yang telah ditetapkan.
Evaluasi Pelaksanaan Peraturan Walikota Dumai Nomor 24 Tahun 2012 Tentang Pelimpahan Sebagian Kewenangan Walikota Kepada Camat Di Bidang Persampahan Di Kota Dumai
Authors: Latif Syahrul akmal , Latif Syahrul Akmal
Published: April 2022

Masalah sampah menjadi permasalahan yang krusial untuk wilayah bertataran Kota di Indonesia, termasuk juga dengan Kota Dumai. Mengacu pada PP No. 19 Tahun 2008 bahwa salah satu tugas Camat adalah melaksanakan kewenangan pemerintahan yang dilimpahkan oleh bupati/walikota untuk menangani sebagian urusan otonormi daerah termasuk masalah pelayanan persamapahan. Melalui Peraturan Walikota Nomor 24 tahun 2012 tentang Pelimpahan Sebagian Wewenang Pengelolaan Sampah kepada Kecamatan di Kota Dumai ditemukan pemasalahan kurangnya efektifitas pelayanan persampahan diwilayah Kecamatan seperti kurang tersedianya TPS, kurangnya sarana pengelolaan masalah sampah dan masih belum terealisasinya pemungutan retribusi untuk setiap wilayah Kecamatan sesuai dengan amanat Peraturan Walikota Nomor 24 tahun 2012. Berdasarkan gejala tersebut makan rumusan masalah penelitian ini adalah (1) Bagaimanakah Evaluasi Peraturan Walikota Dumai Nomor 24 Tahun 2012 Tentang Pelimpahan Sebagian Kewenangan Walikota Kepada Kecamatan Di Bidang Persampahan Di Kota Dumai dan (2)`Faktor-faktor apa saja yang mempengaruhi Evaluasi Peraturan Walikota Dumai Nomor 24 Tahun 2012.Teori yang digunakan adalah teori Evaluasi kebijakan menurut Dunn yang menjelaskan bahwa kriteria evaluasi kebijakan terdiri dari: Efektivitas, Efisiensi, Kecukupan (adequacy), Pemerataan (equity), Responsivitas, Ketepatan (apropriateness). Penelitian ini menggunakan metode penelitian gabungan yaitu menggunakan metode statistik deskriptif. Jenis dan sumber data dalam penelitian ini adalah data primer dan data sekunder. Teknik pengumpulan data yang digunakan adalah observasi, dokumentasi, angket dan wawancara. Analisis data dilakukan dengan menguraikan hasil tanggapan responden melalui angket di dukung dengan hasil wawancara. Hasil penelitian memperlihatkan bahwa Evaluasi Pelaksanaan Peraturan Walikota Nomor 24 tahun 2012 dari hasil perhitungan angket dari seluruh indikator penelitian adalah 12071 (59,82%) yang dikategorikan Cukup Baik. Faktor yang mempengaruhi Pelaksaan Peraturan Walikota Nomor 24 tahun 2012 yaitu: (1) Kurangnya koordinasi dengan instansi terkait (2)Tidak adanya Juklak maupun Juknis yang (3) Minimnya sarana dan prasarana (4) Masih banyaknya rendahnya tingkat pelayanan terhadap masyarakat. Untuk itu disarnkan kepada pihak Kecamatan untuk lebih meningkatkan pelaksanaan pelayanan dibidang persampahan sesuai dengan amanat Peraturan Walikota Nomor 24 tahun 2012.
Computational Chemistry Column: Teaching ab initio Quantum Chemistry in a Networked Environment
Authors: Flükiger Peter , Vacek George , Hilger Anouk , Lüthi Hans Peter
Published: April 2022

The World Wide Web (WWW, Web) has blossomed as an information distribution media in both the public and private sectors; the electronic-information technologies are also revolutionizing educational-program development and dissemination. This work presents the practical exercises for
an ab initio quantum-chemistry course that gives an introduction to the methods of numerical quantum chemistry with the goal of enabling students to perform their own ab initio studies. The exercises, which cover a broad range of topics from different areas of physical chemistry,
have been developed within the hypertext domain to take advantage of many features unique to this media which are beneficial for instruction purposes. They can be browsed on the World Wide Web at http://www.scsc.ethz.ch/chem/qcii.html.
Stereoselective Transformations Starting with Chiral (Alkoxy)methyl-Substituted Organosilicon Compounds
Authors: Bienz Stefan
Published: April 2022

The following short review summarizes the results we achieved with the investigation of chiral silicon groups as auxiliaries for the enantioselective synthesis. (Alkoxy)methyl-substituted silicon compounds with 'Si-centered chirality', which were prepared in optically active form by application of a bioreduction, have been efficiently used as starting materials for a number of stereoselective reactions. Acylsilanes of this type upon treatment with organometallic reagents gave rise to 1,2-addition products with high degrees of stereoselectivities. The respective α-hydroxysilanes could be stereospecifically desilylated to chiral secondary alcohols, or, depending on the substitution pattern, further used as starting compounds for stereocontrolled oxidation, Cope- or Claisen-type rearrangement reactions. Chiral α-metallated vinylsilanes were converted to α-silyl-substituted allylic alcohols and to α-silyl-substituted α,β-unsaturated ketones. The prior led to chiral allenes in a Peterson-type reaction – however, without stereoselectivity – the latter delivered stereoselectively β-chiral silicon-free ketones upon stereocontrolled conjugate cuprate addition followed by removal of the silicon auxiliary.
Invention and Development of a Novel Catalytic Process for the Production of a Benzenesulfonic Acid-Building Block
Authors: Baumeister Peter , Meyer Willy , Oertle Konrad , Seifert Gottfried , Steiner Heinz
Published: April 2022

Development of a highly 'atom-efficient' production process for 2-alkyl-substituted benzenesulfonic acids by arylation of olefins with 2-diazoniobenzenesulfonate catalyzed by a homogeneous Pd-complex and subsequent hydrogenation of the resulting styrenes with an in situ generated
heterogeneous Pd-catalyst.
Integrated Product Design in Chemical Industry. A Plea for Adequate Life-Cycle Screening Indicators
Authors: Weidenhaupt André , Hungerbühler Konrad
Published: April 2022

The ever expanding growth of energy and material fluxes and the associated environmental impact challenge the chemical industry to integrate ecological issues into the design of new chemical substances and products (integrated product design). To achieve this goal, product developers as well as marketing and application specialists need appropriate tools for incorporating ecological issues at every stage of product development. Life-Cycle Design, an approach based on the screening indicators of the streamlined Life-Cycle Assessment (LCA) method, is an appropriate concept that can be used even at early development stages. Still today, however, many product designers regard screening indicators, e.g. energy and/or material intensity, summary emission indicators (DOC, TOC, VOC, etc.) as rather subjective judgements, even if they are based on experts' knowledge, panel discussions, etc. Thus, there is a strong need for defining an appropriate set of objective screening indicators based on a natural science approach. These enable an accurate description of environmental effects of a chemical substance in all environmental compartments (air, soil, water, and biota). In this work, we present a conceptual framework for screening indicators that take into account both process inputs and outputs at every single life-cycle stage. Finally, first results based on several case studies (solvents, dyestuffs, …) are shown.
Achieving Diversified Emissive Behaviors of AIE, TADF, RTP, Dual-RTP and Mechanoluminescence from Simple Organic Molecules by Positional Isomerism
Authors: Xiong Yu , Gong Junyi , Liu Junkai , Wang Deliang , Wu Hongzhuo , Zhao Zheng , Fang Manman , Li Zhen , Wang Dong , Tang Ben Zhong
Published: April 2022

Organic emitters with multiple emissions such as aggregation-induced emission (AIE), thermally activated delayed fluorescence (TADF), room-temperature phosphorescence (RTP), and mechanoluminescence (ML) are promising candidates for various high-tech applications but still very rare. Here, for the first time, an effective strategy of positional isomerism is applied to obtain simple organic isomers featuring diversified emissive behaviors of AIE, TADF, RTP, dual-RTP, and ML. In Particular, simultaneous AIE, TADF, and ML are successfully realized in the ortho-isomer o-ClTPA while typical AIE and unique dual-RTP coexist in the para-isomer p-ClTPA. Crystal structure analysis shows that the subtle variation in the substitution position can significantly alter intermolecular interactions and molecular packings, which in turn exerts remarkable effects on crystal-state emissive properties. Therefore, diversified emissive behaviors of TADF, RTP, dual-RTP, and ML are consequently observed from these positional isomers. Furthermore, theoretical calculations not only afford deep insight into the mechanism of different luminescent properties but also elaborate the relationship between positional isomers and luminescent properties from molecular and crystalline perspectives. These simple isomers featuring diversified emissive behaviors of AIE, TADF, RTP, dual-RTP, and ML are reported for the first time, which will deepen the understanding of the relationship between molecule structures and multiple emissions.
Glycidyl Silanes Enable Regioselective Hydrosilylation of In-ternal Propargyl Alcohols and Direct Transformation into Activated Silanes for Further Chemical Transformation
Authors: Sugawara Akihiro , Koremura Soya , Sasano Yusuke , Kikuchi Haruhisa
Published: April 2022

Herein, we develop glycidyl silanes to facilitate highly regioselective hydrosilylation of internal propargyl alcohols, the products of which can in turn be converted to synthetically useful fluorosilanes for further chemical transfor-mations under mild conditions. Structure–selectivity studies and density functional theory calculations are consistent with high regioselectivity arising from a critical intermolecular hydrogen bond between the glycidyl and propargylic hydroxy groups. A broad substrate scope illustrates the generality of this reaction to form beta-E silylalkenes. Treatment of the beta-E silylalkenes with a fluoride salt induces simultaneous removal of the glycidyl group and activation of the silane under mild conditions. The fluorosilane products can be converted into vinyl arene and ketone derivatives via Hiyama coupling and Tamao–Fleming oxidation reactions, respectively. The discovery that glycidyl silane improves hydrosilylation regioselectivity and is compatible with expedient silylalkene derivatization may prove applicable to a variety of similar alkyne hydrofunctionalization reactions.
Metallic to half-metallic transition driven by pressure and anion composition in niobium oxyfluoride
Authors: Dempsey Eliza K. , Cumby James
Published: April 2022

Half-metallic materials play a key role in the development of spintronics, but few suitable materials are known. Continuously varying the ratio of two anions in a single material offers one route to enhance half-metallic behaviour. Here we report the effect of varying the oxide-fluoride ratio in ReO3-type niobium oxyfluoride NbO2-xF1+x using ab initio calculations. Increasing the fluorine content from NbO2F to NbF3 leads to a transition from semiconducting, through metallic, to half-metallic behaviour as x increases. The effect of pressure on this behaviour is also investigated, finding a transition from cubic to rhombohedral symmetry for all compositions below a maximum transition pressure of 5 GPa for x = 0.35. Additionally, we reveal that compositions close to NbF3 are expected to retain rhombohedral symmetry under ambient pressure. The structural phase transition and electronic behaviour are independent for most compositions except those close to NbO1.65F1.35. Here, we discover that the application of moderate pressure can drive the material from metallic to half metallic, offering a new possibility for controlling spin currents.
Polarizable MD and QM/MM Investigation of Acrylamide-based Leads to Target the Main Protease of SARS-CoV-2
Authors: Nochebuena Jorge , Cisneros G. Andrés
Published: April 2022

The main protease (Mpro) of SARS-CoV-2 is an essential enzyme for the replication of the virus causing the COVID-19 pandemic. Because there is no known homologue in humans, it has been proposed as a primary target for antiviral drug development. Here, we explore the potential of five acrylamide warhead molecules as possible leads to target MPro by polarizable MD and QM/MM calculations. All calculations involving a classical potential were calculated with the AMOEBA polarizable force field, while electronic structure calculations were performed within the framework of density functional theory. Our MD simulations show that at least one of the analyzed compounds may show promise as a lead for further development as a non-covalent inhibitor. The QM/MM calculations suggest that the compound could be considered as a non-covalent inhibitor, since the formation of a covalent bond with Cys145 has an unfavorable kinetic barrier for that compound.
Facile Generation of Fused Seven-Membered Polycyclic Systems via Ring Expansion and Application to the Total Synthesis of Sesquiterpenoids
Authors: Xing Zhimin , Fang Bowen , Luo Shangwen , Xie Xingang , wang Xiaolei
Published: April 2022

Seven-Membered polycyclic architectures, widely present in natural products and small molecular drugs, are challenging synthetic targets. So far, methods for synthesizing fused medium-sized bicyclo[m.n.0] ring systems, including the benzocycloheptane systems, are still surprisingly underdeveloped due to the lack of a general protocol to access these architectures. Herein we describe a base-induced ring expansion as a general strategy, which enables rapid and efficient construction of a wide range of fused seven-membered ring systems. The application of this method was demonstrated by the efficient total syntheses of two sesquiterpenoids plecarpenene and plecarpenone, both bearing a fused bicyclo[5.3.0]decane skeleton.
Synthesis and styrene copolymerization of ring-disubstituted 2-methoxyethyl phenylcyanoacrylates
Authors: Allahrakha Imaad , Bhagavat Vikram , Bodner Justin , Briones Deanna M. , Calderon Jacqueline C. , Quad Nadia , Rafay Abdul , Sagartz Claire M. , Sarfaraz Sid , Steffeck Adam W.T. , Sulaiman Sabah M. , Taiberg Stephanie L. , Thompson Skyler M. , Torres Joanna L. , Rocus Sara M. , Schjerven William S. , Kharas Gregory B.
Published: April 2022

Novel ring-disubstituted 2-methoxyethyl phenylcyanoacrylates, RPhCH=C(CN)CO2CH2CH2OCH3 (where R is 4-methoxy-2-methyl, 4-methoxy-3-methyl, 3-ethoxy-4-methoxy, 4-ethoxy-3-methoxy, 3,4-dibenzyloxy, 3-benzyloxy-4-methoxy, 4-benzyloxy-3-methoxy, 2-bromo-5-methoxy, 3-bromo-4-methoxy, 5-bromo-2-methoxy, 2-chloro-3-methoxy, 3-chloro-4-methoxy, 2-chloro-6-methyl, 3-chloro-4-methyl) were prepared and copolymerized with styrene. The acrylates were synthesized by the piperidine catalyzed Knoevenagel condensation of ring-substituted benzaldehydes and 2-methoxyethyl cyanoacetate, and characterized by CHN analysis, IR, 1H and 13C NMR. All the acrylates were copolymerized with styrene in solution with radical initiation (ABCN) at 70C. The compositions of the copolymers were calculated from nitrogen analysis.
AIMSim: An Accessible Cheminformatics Platform for Similarity Operations on Chemicals Datasets
Authors: Bhattacharjee Himaghna , Burns Jackson , Vlachos Dionisios
Published: April 2022

The recent advances in deep learning, generative modeling, and statistical learning have ushered in a renewed interest in traditional cheminformatics tools and methods. Quantifying molecular similarity is essential in molecular generative modeling, exploratory molecular synthesis campaigns, and drug-discovery applications to assess how new molecules differ from existing ones. Most tools target advanced users and lack general implementations accessible to the larger community. In this work, we introduce Artificial Intelligence Molecular Similarity (AIMSim), an accessible cheminformatics platform for performing similarity operations on collections of molecules (molecular datasets). AIMSim provides a unified platform to perform similarity-based tasks on molecular datasets, such as diversity quantification, outlier and novelty analysis, clustering, and inter-molecular comparisons. AIMSim implements all major binary similarity metrics and molecular fingerprints and is provided as a Python package that includes support for command-line use as well as a fully functional Graphical User Interface for code-free utilization.
Nucleic acid extraction from complex biofluid using toothpick-actuated over-the-counter medical-grade cotton
Authors: Kumar Shrawan , Kharb Anjali , Vazirani Aman , Chauhan Rajinder Singh , Pramanik Goutam , Sengupta Mrittika , Ghosh Souradyuti
Published: April 2022

Nucleic acid amplification technique (NAAT)-assisted detection is the primary intervention for pathogen molecular diagnostics. However, NAATs such as quantitative real-time polymerase chain reaction (qPCR) require prior purification or extraction of target nucleic acid from the sample of interest since the latter often contains polymerase inhibitors. Similarly, genetic disease screening is also reliant on the successful extraction of pure patient genomic DNA from the clinical sample. However, such extraction techniques traditionally utilize spin-column techniques that in turn require centralized high-speed centrifuges. This hinders any potential deployment of qPCR- or PCR-like NAAT methods in resource-constrained settings. The development of instrument-free nucleic acid extraction methods, especially those utilizing readily available materials would be of great interest and benefit to NAAT-mediated molecular diagnosis workflows in resource-constrained settings. In this report, we screened medical-grade cotton, a readily available over-the-counter biomaterial to extract E. coli genomic DNA (gDNA) spiked in 30%, 45%, and 60% serum. The extraction was carried out in a completely instrument-free manner using cotton and a sterilized toothpick and was completed in 30 min (with using chaotropic salt) or 10 min (without using chaotropic salt). The quality of the extracted DNA was then probed using PCR followed by agarose gel analysis, qPCR, and sequencing. Our method demonstrated that the high-quality DNA extraction could be performed both with or without using a chaotropic salt, albeit with a difference in the quality of the extracted DNA.
Hybrid, Interpretable Machine Learning for Thermodynamic Property Estimation using Grammar2vec for Molecular Representation
Authors: Mann Vipul , Brito Karoline , Gani Rafiqul , Venkatasubramanian Venkat
Published: April 2022

Property prediction models have been developed for several decades with varying degrees of performance and complexity, from the group contribution-based methods to molecular simulations-based methods. An interesting issue in this area is finding an appropriate representation of molecules inherently suited for the property modeling problem. Here, we propose Grammar2vec, a SMILES grammar-based framework for generating dense, numeric molecular representations. Grammar2vec embeds molecular structural information contained in the grammar rules underlying SMILES string representations of molecules. We use Grammar2vec representations to build machine learning-based models for estimating normal boiling point (Tb) and critical temperature (Tc) and benchmark their performance against the popularly used group contribution (GC)-based methods. To ensure interpretability of the developed ML model, we perform a Shapley values-based analysis to estimate feature importance and simplify (or prune) the trained model.
Sensors and energy harvesting devices applicable on cellulose products – a literature survey
Authors: Abitbol Tiffany , Belaineh Dagmawi , Beni Valerio , Brooke Robert , Edberg Jesper , Hosseinaei Omid , Håkansson Karl , Mulla Yusuf , Sandberg Mats , Wang Xin
Published: April 2022

This literature survey, conducted by the Digital Cellulose Center, details sensors and energy harvesting technologies capable of being integrated in, or on, cellulose-based materials such as paper or board. The goal of the survey is to identify how full sensor system integration can be performed on environmentally friendly substrates. Using cellulose and other bio-based materials from the forest is a promising way of making electronics greener. Also, such system integration can add new intelligence to existing cellulose products such as packages for food and logistics. The survey focuses on moisture sensors, temperature sensors, pressure and strain sensors, piezoelectric cellulose, patterning methods, and triboelectric nanogenerators, each one divided into separate chapters. The outcome of the survey is considered in the light of connected cellulose-based sensor applications, identifying the most pertinent scientific questions and remaining challenges. We particularly consider the results in light of sensors integrated into pressboard.
A photonanozyme with light-empowered specific peroxidase-mimicking activity
Authors: Lin Sili , Tan Wenlong , Han Pengfei , Li Xu , Li Jinzhao , Nie Zhou , Li Kun
Published: April 2022

Although nanozymes have been widely developed, directly utilizing light to drive catalytic reactions like natural photoenzymes still remains challenging. Here, we propose that photonanozymes (PNZs), as a novel kind of nanozyme, exclusively possess enzyme-mimicking activity under illumination. Only in the presence of visible light, the as-synthesized TiO2 proposed in this contribution shows excellent specificity of peroxidase-like without any oxidase- or catalase-like activity. The driving force of the light-empowered peroxidase-like photonanozymatic activity is explicated in terms of the photogenerated hot charge carriers in TiO2 PNZs and the accompanied reactive oxygen species. The co-substrates for photonanozymatic reaction over TiO2 PNZs facilitate the formation of the precarious and reactive peroxo-oxygen bridge between TiO2 and H2O2, enabling the catalytic specificity. With the TiO2 PNZ-based biosensing platform for visual glucose detection exemplifying the concept of the application of PNZs, this work may evoke more inspirations to explore strategies for enlarging the scope of photoenzyme mimics.
Identification of potential anti-COVID-19 drug leads from Medicinal Plants through Virtual High-Throughput Screening
Authors: Firouzi Rohoullah , Ashouri Mitra
Published: April 2022

Natural compounds are widely used as attractive and valuable starting points for drug lead discovery. The present study aims to identify phytochemical compounds found in medicinal plants as potential COVID-19 inhibitors, using ensemble docking simulations. To this end, a phytochemical library from the PHCD database – a database of natural chemical compositions of Persian medicinal herbs (https://persianherb.com) – have been virtually screened against four key protein targets in the SARS-CoV-2 life cycle – the Mpro and PLpro proteases and the Spike and human ACE2 proteins. Several potential antiviral lead candidates have been identified based on the “Computational Multitarget Screening” approach, in which favourite candidates interact simultaneously with all four targets. Four of the bioactive phytochemicals identified – Chelidimerine, Gallagyldilacton, Hinokiflavone, and Physalin Z – show the highest binding afﬁnities to all the targets and are suggested to be the best choices for drug design research. Also, several important medicinal plants, including Chelidonium majus L., Punica granatum, Rhus coriaria, Capparis spinose, Cichorium intybus, and Cynara scolymus, with the most phytochemicals interacting with all the host and viral proteins, have been identified that can be considered as the most important herbal resources for drug development with the medicinal plant formulations against COVID-19.
Arap İsyanları Sonrası Suriye’nin Sosyo-politik Dönüşümüne Eşitsiz ve Bileşik Kalkınmacı Bir Yaklaşım: “Savaş Ekonomisi” ve “Yeniden İnşa” Süreçlerinde Uluslararası ve Yerel Dinamiklerin Etkileşimi
Authors: MENGÜASLAN Hikmet
Published: April 2022

Bu çalışma “uluslararası” kavramını öne çıkararak Arap İsyanları sonrası Suriye’deki sosyo-politik dönüşümü Leon Troçki’nin Eşitsiz ve Bileşik Kalkınma (EBK) yaklaşımı ile incelemektedir. Literatürdeki analizler gerek yöntemsel ulusçuluk gerekse bütüncül bir çerçeveye sahip olmayışları sebebiyle Arap İsyanları sonrası Suriye’deki sosyo-politik dönüşümü genellikle otoriter Beşir Esat rejiminin dayanıklılığı ve neoliberal dönüşümün dinamikleri çerçevesinde incelemektedir. Bu bağlamda, çalışmanın temel sorunsalı yöntemsel olarak uluslararası ve yerel dinamiklerin etkileşiminin Suriye’deki sosyo-politik dönüşüme etkilerini ortaya koymaktır. Bu amaçla Arap İsyanları sonrası Suriye’nin sosyo-politik dönüşümünde belirleyici olduğu düşünülen iki sürecin - “Savaş Ekonomisi” ve “Yeniden İnşa” – sonuçları incelenmektedir. Çalışma sonuç olarak Suriye’deki sosyo-politik dönüşümün anlaşılmasında Arap İsyanları öncesi dönemde olduğu neoliberal politik ve ekonomik dinamiklerin etkili olduğunu ve dönüşümün bölgesel ve küresel jeopolitik rekabet süreçleriyle iç içe geçmesinin de etkisiyle toplumsal eşitsizlik ve baskı durumunu daha da ağırlaştırdığını tartışmaktadır.
Canadian Veteran's Headstones and What They Can Tell Us
Authors: Fookes Bram
Published: April 2022

This paper was an exercise that stepped outside of my comfort zone, as an undergraduate history student, by gathering data in the field before contextualizing it with a healthy dose of library research. This task involved visiting a cemetery, determining a research question and then answering it by gathering data on site before contextualizing the findings with existing sources. The synthesis of gathering one’s own data and supporting it with a more traditional exploration of secondary research before expressing unique findings was an exhilarating experience. This paper explores the information gathered from Canadian Veterans headstones found in the Victoria Lawn Cemetery in St. Catharines, Ontario while focusing on key variables such as age at death, distribution of service branches, and religious affiliations present on the headstones.
A Close Examination of Edward Fry and His Report on British Parliamentary Proceedings Pertaining to the Opium Wars and Subsequent Government Policies
Authors: Pelechaty Evan
Published: April 2022

This paper analyzes Edward Fry’s 1876 report on parliamentary proceedings pertaining to the opium trade. In the report, Edward Fry criticized British involvement in the Opium Wars and subsequent opium trade by arguing that Britain should not force the import of opium into China because it was destroying the health and welfare of Chinese citizens. Instead, Fry suggested that the British Empire should assume responsibility by outlawing the sale of opium and refunding the opium farmers in China and India. Edward Fry was not advocating for the end of British presence in China, but he was promoting British imperialist rhetoric and ideology with the goal of extending western influence in China especially through the reputation of missionaries. Although Fry’s report condemned British involvement in the Opium Wars and their support of the trade, he still supported British imperialism in China. This paper provides a brief biography on Edward Fry and discusses his anti-opium stance, his predominant view on the opium trade during the 1870’s, and how these events reflected deeper colonial trends.
Introduction
Authors: Lewis Alexandra , Miria Pelletier
Published: April 2022

Introduction
Foreword
Authors: Dr. Tami J. Friedman
Published: April 2022

Foreword
Upaya Menciptakan Good Local Governance dalam Pengelolaan Keuangan Desa di Desa Lembung Timur
Authors: Hafidhah Hafidhah , Arifin Miftahol
Published: April 2022

Pemerintah Indonesia mengeluarkan Undang – Undang Desa yang bertujuan untuk mempercepat pembangunan wilayah pedesaan melalui alokasi keuangan Anggaran Pendapatan dan Belanja Negara yang disebut dengan Dana Desa (DD). Dana desa diharapkan akan mengurangi ketimpangan pembangunan yang selama ini terjadi antara wilayah pedesaan dan perkotaan. Namun besarnya uang yang ada di desa apabila tidak diikuti dengan kemampuan pemerintahan desa dalam pengelolaannya maka mengakibatkan pengelolaan keuangan desa menjadi tidak maksimal. Kegiatan pengabdian kepada masyarakat ini dilakukan di Desa Lembung Timur Kecamatan Lenteng Kabupaten Sumenep. Permasalahan yang dihadapi mitra adalah ketidakmampuan pengelolaan keuangan desa oleh perangkat desa. Mitra yang terlibat dalam kegiatan ini adalah perangkat pemerintahan desa yang sejumlah 10 orang. ada di desa tersebut. Kegiatan ini dilakukan dalam bentuk pelatihan dan pendampingan secara intensif  yang meliputi tahapan: 1) Perencanaan, 2) pelaksanaan kegiatan, 3) penatausahaan, 4) pelaporan, dan 5) pertanggungjawaban keuangan desa. Dari hasil kegiatan diperoleh hasil yang positif yaitu peningkatan kapasitas perangkat desa dalam mengelola hingga menyusun laporan keuangan dana desa yang baik dan akuntabel.
Pendampingan Penyusunan Laporan Keuangan Sesuai Pernyataan Standar Akuntansi Keuangan No. 45 Pada Lembaga Kesejahteraan Sosial Dan Anak Baiturrahmah Jombang
Authors: Sucipto Hadi
Published: April 2022

Ikatan Akuntan Indonesia telah menyusun sebuah standar akuntansi yang secara khusus dapat digunakan untuk pelaporan keuangan organisasi nirlaba termasuk Lembaga Kesejahteraan Sosial Dan Anak (LKSA). Meskipun lembaga ini tidak berorientasi laba namun harus tetap menerapkan pelaporan yang sesuai dengan PSAK No.45. Namun kenyataannya, masih terdapat organisasi nirlaba yang belum menerapkan PSAK No. 45 dalam melaporkan posisi dan kegiatan usahanya tersebut, termasuk pada Lembaga Kesejahteraan Sosial dan Anak (LKSA) Baiturrahmah Jombang. Kegiatan pengabdian ini bertujuan untuk meningkatkan kemampuan pengurus Lembaga Kesejahteraan Sosial dan Anak (LKSA) Baiturrahmah untuk penyusun laporan keuangan sesuai dengan PSAK No. 45. Jenis kegiatan yang dilakukan meliputi pelatihan dan pendampingan pencatatan hingga penyusunan laporan keuangan yang dilakukan pada bulan Desember 2020 – Januari 2021, baik secara daring maupun luring. Dari hasil kegiatan yang telah dilakukan, diperoleh hasil yang cukup baik yaitu peningkatan kemampuan pengurus dalam menyusun laporan keuangan sesuai PSAK No. 45. Kegiatan ini diharapkan akan terus dilanjutkan pada periode selanjutnya agar kemampuan pengurus Lembaga Kesejahteraan Sosial dan Anak (LKSA) Baiturrahmah dalam menyusun laporan keungan menjadi lebih baik.
Pelatihan Frozen Food dan Digital Marketing Bumdes Murni Jaya Guna Meningkatkan Perekonomian Saat Pandemi
Authors: Suaidah Yuniep Mujati , Muzaki Abdul
Published: April 2022

Abstrak Pendirian Badan Usaha Milik Desa (BUMDes) yang diprakarsai oleh pemerintah pusat langsung ditindaklanjuti oleh pemerintah daerah Jombang, dengan pemberian dana stimulus untuk setiap desa, termasuk desa Sumbermulyo yang terletak di kecamatan Jogoroto, Jombang dengan membentuk Badan Usaha Milik Desa (BUMDes) Murni Jaya. BUMDes Murni Jaya memiliki jenis usaha yang menarik yaitu kolam pancing. Dalam perkembangannya, pengelolaan kolam pancing di Badan Usaha Milik Desa (BUMDes) Murni Jaya sudah cukup baik namun dalam kegiatan pemasaran dan pengelolaan ikan lele yang masih kurang. Untuk itu, penulis bersama team mahasiswa melakukan kegiatan pembenahan pemasaran dan pengelolahan ikan lele di Badan Usaha Milik Desa (BUMDes) Murni Jaya, antara lain: 1) Pengelolahan Ikan Lele Menjadi Frozen Food, 2) Digital Marketing Kolam Pancing. Kegiatan tersebut telah diselesaikan dengan baik oleh penulis bersama team mahasiswa dan mendapat respon yang baik dari BUMDEs Murni Jaya
Penerapan Manajemen Produksi Dan Manajemen Pemasaran Guna Peningkatan Kualitas UMKM Di Kelurahan Joglo
Authors: Widajanti Erni , Sumaryanto Sumaryanto
Published: April 2022

Kegiatan Pengabdian pada Masyarakat (PKM) yang dilakukan tim penulis bertujuan untuk meningkatkan kapasitas UMKM agar memiliki performa yang lebih baik. Sasaran kegiatan ini adalah para pelaku UMKM kalurahan Joglo Kecamatan Banjarsari, Kotamadya Surakarta. Masalah yang dihadapi para pemilik UMKM adalah: 1) terbatasnya modal, 2) Ketersediaan pasokan bahan baku , 3) Keterbatassan wilayah pemasaran. Maka berangkat dari permasalahan tersebut, kegiatan PKM ini difokuskan pada pemecahan masalah terkait manajemen produksi dan manajemen pemasaran. Kegiatan PKM ini dilakukan melalui metode pelatihan penghitungan pengelolaan persediaan antara lain: 1) waktu dan jumlah bahan baku yang harus dibeli, 2) penghitungan jumlah produk (kombinasi produk) yang harus dihasilkan dan dijual agar memperoleh laba maksimal. Selain itu, tim pelaksana juga memberikan pelatihan metode pemasaran digital agar volume penjualan meningkat dan dapat mencapai laba maksimal.
Pengaruh Electronic Word Of Mouth Terhadap Keputusan Berkunjung Dimediasi Oleh Citra Destinasi
Authors: Rofiah Chusnul
Published: April 2022

Penelitian ini bertujuan 1) Untuk mengetahui pengaruh Electronic Word Of Mouth terhadap keputusan berkunjung pada pengunjung Kenduren Wonomerto 2) Untuk mengetahui pengaruh Electronic Word Of Mouth terhadap citra destinasi pada pengunjung Kenduren Wonomerto 3) Untuk mengetahui pengaruh Citra destinasi terhadap keputusan berkunjung pada pengunjung Kenduren Wonomerto. 4) Untuk mengetahui pengaruh Electronic Word Of Mouth terhadap keputusan berkunjung yang dimediasi citra destinasi pada pengunjung Kenduren Wonomerto. Penelitian menggunakan metode penelitian eksplanasi yang dilaksanakan melalui pengumpulan data dilapangan. Asumsi-asumsi yang digunakan dalam penelitian ini adalah berupa variabel-variabel yang dapat diukur dengan menggunakan variabel-variabel yang diukur dengan menggunakan tanggapan responden dengan angket, sampel adalah pengunjung Kenduren Wonomerto sebanyak 100 pengunjung, analisa data dengan menggunakan SEM dengan pendekatan WarpPLS dan pengujian hipotesis. Berdasarkan hasil penelitian menunjukkan bahwa 1) Electronic Word Of Mouth mampu meningkatkan Citra destinasi ke Kenduren Wonomerto 2) Citra destinasi mampu meningkatkan keputusan berkunjung ke Kenduren Wonomerto 3) Electronic Word Of Mouth tidak mampu meningkatkan keputusan Berkunjung ke Kenduren Wonomerto 4) Citra destinasi memediasi penuh peningkatan electronic word of mouth dengan keputusan berkunjung
Analisis Word Of Mouth Dan Brad Image Terhadap Keputusan Pembelian Smartphone Di Kota Sukabumi
Authors: Aryatilandi Seira , Ramdan Asep Muhammad , Sunarya Erry
Published: April 2022

Abstract

The purpose of this study is to measure how much influence word of mouth and brand image have on purchasing decisions. The variables used in this study are word of mouth,, brand image, and purchasing decisions. The method used in this research is to use probability sampling by distributing questionnaires as many as 150 respondents to consumers who use Iphone smatphone in Sukabumi City. Data analysis technique used is multiple linear regression where in this method the method of partial effect and simultaneous influence is used. The results obtained show that there is no positive and significant influence between word of mouth on purchasing decisions. And there is a positive and significant influence between brand image on purchasing decisions.
The Role Of Individual Characteristics And Labor Characteristics Toward Employee Productivity
Authors: Prasetyo Deni Widyo , Uddin Imam Ahya
Published: April 2022

This research was conducted to analyze the role of individual characteristics and job characteristics on productivity at PT. Sinar Niaga Sejahtera Mojagung. This type of research was explanatory research with a quantitative approach. The population in this study were 40 employees of PT. Sinar Niaga Sejahtera Mojagung and the samples used in the study were all population. The data used were primary in the form of a questionnaire. The analysis tool was a multiple linear regression with SPSS tools. The results showed that individual characteristics and company characteristics have a role in increasing employee productivity.
Uji Kelayakan Penggantian Ban pada Truk Jasa Angkutan Darat menggunakan Fuzzy Logic
Authors: Alexander Edwin , Hartanto Andre
Published: April 2022

Abstrak

Tujuan dari penelitian ini adalah untuk membantu pengambilan keputusan dalam penggantian ban truk pada sebuah jasa angkutan darat di Surabaya. Metode yang digunakan dalam penelitian ini menggunakan metode penelitian kuantitatif dan data yang didapatkan, diolah dengan menggunakan logika Fuzzy. Data yang diolah berdasarkan dari surat jalan dari setiap truk serta data penggantian ban dari setiap truk. Hasil penelitian dengan menggunakan logika Fuzzy, dapat memberikan output data berupa sudah layak atau belum layak ban untuk diganti. Faktor yang digunakan sebagai data untuk persamaan logika Fuzzy antara lain jarak dan umur ban. Dengan adanya penelitian ini, maka dapat menghasilkan efisiensi waktu dalam pengambilan keputusan untuk menentukan penggantian ban truk yang berpengaruh juga pada efisiensi biaya operasional. Penelitian selanjutnya dapat dilanjutkan untuk menghasilkan data secara otomatis dalam penggantian ban truk yang digunakan.
Rosette Guitar Quartet : Proses Kreatif Melalui “Youtube” Sebagai Pasar Industri Musik Digital
Authors: Tyas Danang Sandy
Published: April 2022

The existence of YouTube as a promotional medium is utilized by the Rosette guitar quartet in presenting a musical performance presented with the creation and production in the form of audio-visual uploaded via YouTube social media. With the growing need and dependence of the public on YouTube channels, YouTube's function has begun to grow no longer as a medium of entertainment alone, YouTube has also begun to function as a reference, promotion, and even existence for certain groups such as artists, musicians and indie artists who are not exposed to television media. and those that already exist in the entertainment world. The purpose of this study is to describe the creative process of the Rosette Guitar Quartet in facing the digital music market. This research uses a qualitative approach. Qualitative research focuses on data not numbers, and seeks to answer questions rather than test hypotheses. The result of this research is the creative process of the Rosette Guitar Quartet in utilizing YouTube as a digital music industry market through the presentation of music in audio-visual form.
Business Model Canvas Hotel NYC
Authors: Sally Kartini , Hidayati Aprihatiningrum
Published: April 2022

Penelitian ini bertujuan untuk mengevaluasi dan merancang model bisnis Hotel NYC dengan menggunakan kerangka Business Model Canvas (BMC). Penelitian ini menggunakan pendekatan kualitatif deskriptif dan tehnik pengumpulan data menggunakan tehnik wawancara. Hasil penelitian dari identifikasi BMC yang ada saat ini, pada elemen customer segment ditetapkan target utama adalah millennial dan first jobber, dan memperluas customer segment ke pelanggan korporasi dengan merekrut tenaga pemasaran khusus untuk menangani pelanggan korporasi. Pada elemen Channel penggunaan social media diperluas dan menggunakan social media agency sebagai pengelola konten. Untuk elemen Revenue Streams, akan dibuatkan paket yang sekarang sedang menjadi gaya hidup yaitu shortgateaway, staycation, dan paket special moment untuk millennial antara lain Bridal Shower Party dan paket pernikahan. Pada elemen Key Resources, akan memanfaatkan ruangan yang masih belum digunakan menjadi communal area tambahan dan dapat digunakan untuk acara gathering perusahaan atau acara pernikahan. Elemen Key Partnership akan tetap bekerjasama dengan Virtual Hotel Operator dan menambah kerjasama dengan Online Travel Agent seperti Expedia dan Traveloka. Pada elemen Cost Structures, akan menambahkan cadangan biaya untuk pemeliharaan bangunan dan perlengkapan.