bluuebunny/crossref_metadata_2025 huggingface dataset:
PENINGKATAN KAPABILITAS KADER POSYANDU MELALUI PELATIHAN SERVICE EXCELLENT DI DESA PANYOCOKAN CIWIDEY KABUPATEN BANDUNG
Authors: Sastika Widya , Hanifa Fanni Husnul , Disastra Ganjar Mohammad
Published: April 2023

Desa Panyocokan merupakan salah satu desa yang terletak di Kecamatan Ciwidey, Kabupaten Bandung Selatan, Provinsi Jawa Barat. Desa Panyocokan memiliki 26 Rukun Warga (RW), dimana setiap RW memiliki kader posyandu. Posyandu merupakan salah satu Upaya Kesehatan Bersumberdaya Masyarakat (UKBM). Pos Pelayanan Keluarga Berencana - Kesehatan Terpadu (Posyandu) adalah kegiatan kesehatan dasar yang diselenggarakan dari, oleh dan untuk masyarakat yang dibantu oleh petugas kesehatan. Posyandu merupakan kegiatan swadaya dari masyarakat di bidang kesehatan dengan penanggung jawab lurah/ kepala desa. Upaya peningkatan peran dan fungsi Posyandu bukan semata-mata tanggungjawab pemerintah saja, namun semua komponen yang ada di masyarakat, termasuk kader. Peran kader dalam penyelenggaraan Posyandu sangat besar karena selain sebagai pemberi informasi kesehatan kepada masyarakat juga sebagai penggerak masyarakat untuk datang ke Posyandu dan melaksanakan perilaku hidup bersih dan sehat. Seorang kader posyandu, selain harus memiliki kemampuan menyampaikan informasi juga harus dapat memberikan layanan yang baik bagi anggota masyarakat yang membutuhkan layanan dasar kesehatan di Posyandu. Untuk meningkatkan kemampuan dalam berkomunikasi dan pelayanan maka pelatihan terutama mengenai service excellent sangat diperlukan. Diharapkan setelah mengikuti pelatihan service excellent para Kader Posyandu dapat memberikan layanan yang baik bagi masyarakat, apabila kegiatan Posyandu terselenggara dengan baik akan memberikan kontribusi yang besar, dalam menurunkan angka kematian ibu, bayi, dan anak balita. Kegiatan pengabdian kepada masyarakat ini dilaksanakan pada hari sabtu, 26 November 2022, pada pukul 09.00 – selesai. Kegiatan ini diikuti oleh 25 kader posyandu di Desa Panyocokan Ciwidey, pada kegiatan ini diberikan pelatihan yang berisi materi service excellent terlebih dahulu, dan dilanjutkan dengan diskusi serta role play dalam melakukan pelayanan kepada masyarakat.Kata Kunci: Posyandu, Service Excellent, Desa Panyocokan
PELATIHAN DAN PENDAMPINGAN PEMBUATAN LAPORAN BUSINESS PLAN BAGI PELAKU UMKM DI DESA PANYOCOKAN CIWIDEY KABUPATEN BANDUNG
Authors: Hanifa Fanni Husnul , Sastika Widya , Priansa Donni Juni , Kusumahadi Krishna , Muslih Muhammad , Kurnia Kurnia
Published: April 2023

Usaha Mikro Kecil dan Menengah (UMKM) merupakan salah satu bagian penting dari perekonomian di Indonesia, karena selain berperan dalam pertumbuhan ekonomi dan penyerapan tenaga kerja, juga berperan dalam pendistribusian hasil-hasil pembangunan. Permasalahan UMKM di Indonesia antara lain berkaitan dengan aspek pemasaran, modal dan pendanaan, inovasi dan pemanfaatan teknologi informasi, pemakaian bahan baku, peralatan produksi, penyerapan dan pemberdayaan tenaga kerja, rencana pengembangan usaha, dan kesiapan menghadapi tantangan lingkungan eksternal. Kendala-kendala tersebut di atas, terutama yang berkaitan dengan permodalan, pengembangan produk dan pemasaran, seharusnya dapat dikurangi jika pelaku bisnis memiliki perencanaan bisnis (business plan) yang dapat membantu mengarahkan bisnis sesuai dengan tujuan yang ingin dicapai. Dokumen perencanaan bisnis diperlukan oleh pihak-pihak investor perbankan yang potensial, konsultan, staf karyawan, pemasok barang dan bahkan konsumen. Desa Panyocokan merupakan salah satu desa yang terletak di Kecamatan Ciwidey, Kabupaten Bandung Selatan, Provinsi Jawa Barat. Berada di Kecamatan Ciwidey yang dikenal sebagai daerah pariwisata, ternyata mata pencaharian masyarakat Desa Panyocokan bukan berasal dari sektor pariwisata. Berdasarkan hasil wawancara dengan pihak desa, sebagian besar masyarakat memiliki latar belakang Pendidikan SMA dengan sumber mata pencaharian utama pada sektor pertanian, sektor peternakan dan UMKM. Sektor UMKM yang ada di Desa Panyocokan diantaranya adalah kerajinan golok, kerajinan bambu, olahan kerupuk, olahan keripik singkong. Kegiatan abdimas ini berupaya untuk membantu pemilik bisnis dalam mengembangkan business plan pada usaha mereka. Kegiatan abdimas ini penting dilaksanakan untuk membantu UMKM untuk mengelola dan mengembangkan bisnisnya. Bentuk kegiatan yang akan dilakukan terbagi menjadi 3 bagian yaitu: pengumpulan data, Pelatihan dari berbagai bidang ilmu dan Pendampingan pembuatan business plan itu sendiri. Kegiatan pengabdian kepada masyarakat di Desa Panyocokan dilakukan pada hari Sabtu, 26 November 2022, pukul 09.00 – selesai, dilaksanakan di Aula Kantor Desa Panyocokan Kegiatan ini dihadiri 25 orang perwakilan dari UMKM. Pada kegiatan ini, narasumber memberikan terlebih dahulu mengenai materi dan penjelasan mengenai modul perencanaan bisnis (business plan), lalu dilakukan pendamping kepada setiap UMKM dalam mengisi modul perencanaan bisnis (business plan).Kata Kunci: UMKM, Business Plan, Desa Panyocokan
MEMOTIVASI ANGGOTA PKK KELURAHAN PADASUKA UNTUK MENGGUNAKAN BAHASA INGGRIS DALAM PENINGKATAN KETERAMPILAN KEWIRAUSAHAAN
Authors: Dahlia Anum , Liong Tjang Kian , Ismail Dede
Published: April 2023

Banyaknya wirausaha di kalangan perempuan, terutama di masa pandemi, menunjukkan betapa pentingnya peran perempuan dalam meningkatkan ekonomi keluarga. Perempuan yang bergabung dalam program Pemberdayaan Kesejahteraan Keluarga (PKK) di salah satu kelurahan di Bandung kerap didorong untuk meningkatkan kualitas hidup mereka dengan menjadi kreatif dan produktif. Melalui observasi dan angket sebagai instrumen pengambilan data, penelitian ini bertujuan untuk mengetahui tingkat motivasi penggunaan bahasa Inggris sebagai sarana untuk meningkatkan keterampilan kewirausahaan yang telah dimiliki oleh para peserta tersebut. Berdasarkan data, diketahui bahwa walaupun pembelajaran bahasa Inggris itu penting, para peserta PKK ini juga meyakini bahwa mereka kekurangan motivasi untuk meningkatkan bahasa Inggris. Sebagai ibu rumah tangga yang ikut serta dalam kegiatan Pemberdayaan Kesejahteraan Keluarga, mereka menyadari bahwa dengan meningkatkan kemampuan bahasa Inggris bisnis, mereka juga dapat meningkatkan kewirausahaan mereka untuk beberapa hal, yang oleh karenanya dapat meningkatkan kualitas hidup keluarga mereka. Studi lebih lanjut diperlukan untuk memberikan solusi yang menyeluruh dan ramah pengguna, khususnya ibu rumah tangga. Solusi yang dapat meningkatkan bahasa Inggris bisnis untuk kewirausahaan mereka, misalnya menggunakan aplikasi di ponsel untuk memastikan kemampuan dan meningkatkan kepercayaan diri dan motivasi mereka dalam menggunakan bahasa Inggris untuk industri rumahan.Kata kunci: Bahasa Inggris Bisnis, Kewirausahaan, Motivasi
APLIKASI PENDETEKSI PENYAKIT PADA IBU HAMIL DI PUSKESMAS BALEENDAH
Authors: Latuconsina Roswan , Purboyo Tito Waluyo , Ruriawan M. Faris , Nardika Muhammad , Handi I Made Irvan Wilian
Published: April 2023

Indonesia saat ini adalah negara yang memiliki tingkat Angka Kematian Ibu (AKI) dan Angka Kematian Bayi (AKB) dua kali lebih tinggi dibandingkan dengan negara negara lainnya yang ada di Asia Tenggara. Selain itu, sebagian besar Puskesmas (Pusat Kesehatan Masyarakat) di Indonesia masih melakukan pendataan terhadap pasien ibu hamil denganmenggunakan metode konvensional, yaitu secara manual mencatat hasil pemeriksaan dan kondisi ibu hamil dalam form fisik yang tersedia. Hal ini tentu saja akan mempersulit dalam analisis kondisi ibu hamil yang sangat rentan dengan penyakit-penyakit tertentu. Bertempat di Puskesmas Baleendah Kabupaten Bandung, Tim Pengabdian kepada Masyarakat Universitas Telkom melakukan serangkaian kegiatan untuk membantu dokter, bidan dan pihak puskesmas lainnya dalam mengatasi persoalan-perso(Siti Sundari & Fitri Nuraropah, 2021)alan yang dihadapi di atas, yakni melalui pembangunan sistem deteksi penyakit pada ibu hamil yang berbasis web dengan menggunakan metode Certainty Factor. Certainty Factor adalah salah satu metode sistem pakar yang mengakomodasi ketidakpastian pemikiran (inexact reasoning) seorang pakarKata Kunci: Web, Sistem Pakar, Certainty Factor
Digital Parenting: Tuntutan Para Orangtua Pasca Pandemik di wilayah Kelurahan Jamika, Kecamatan Bojongloa Kaler
Authors: Dimyati Dindin , Kartiwa Rudy Erwi , Herdiansyah Haris
Published: April 2023

Masa pandemik COVID-19 selama dua tahun (2020-2022) dan endemik satu tahun terkhir telah membuat banyak perubahan dalam banyak sisi kehidupan manusia Indonesia, termasuk dunia pendidikan, mulai dari tingkat dasar sampai tingkat pendidikan tinggi. Pendidikan dasar dan usia dini mengalami imbas yang cukup ‘menyedihkan’ karena ketidaksiapan para orang tua untuk menjadi pendamping kegiatan belajar mereka di mode pembelajaran daring. Penggunaan gawai untuk belajar pun memberikan dampak tambahan yaitu ‘kecanduan’ para peserta didik tersebut gawai dan konten-konten yang ada di dalamnya. Tujuan kegiatan abdimas digital parenting ini adalah untuk memberikan kesadaran dan pemahaman akan sisi buruk dan sisi baik media digital kepada masyarakat sasar di kelurahan Jamika, kecamatan Bojongloa Kaler. Kegiatan ini berkolaborasi dengan Lembaga Pendidikan Anak Usia Dini (PAUD) Nurnaima yang menyelenggarakan Kelompok Bermain (KOBER). Hasil dari kegiatan ini adalah munculnya tingkat kesadaran dan pemahaman yang lebih baik dari masyarakat sasar akan dampak dan manfaat media digital tersebut dalam dunia pendidikan dan sosial. Masyarakat sasar selanjutnya berharap akan adanya keberlanjutan kegiatan ini dengan cakupan (scope) yang lebih luas.Kata Kunci: Digital Parenting, Pandemik Covid-19, Paud, Kober, Pendidikan Usia Dini
PELATIHAN DIGITAL MARKETING PEMBUATAN WEBSITE UNTUK RUMAH MAKAN DAN PRODUK LOKAL DI DESA KERTAWANGI SEBAGAI DESA WISATA
Authors: Yuliandhari Willy Sri , Wulansari Puspita , Asalam Ardan Gani
Published: April 2023

Masyarakat Desa Kertawangi secara umum bekerja sebagai petani, namun sejak munculnya pengusaha di bidang kuliner yang diinisiasi dengan adanya tempat wisata di Desa Kertawangi, maka Sebagian besar penduduk Desa kertawangi menambah mata pencaharian mereka dengan bergerak di bidang kuliner. Namun usaha kuliner mereka ini masih terbatas pada pemjualan di tempat-tempat wisata dan dekat rumah mereka, belum memperluas pemasaran mereka dengan menggunakan e-commerce atau secara online. Oleh karena itu, pada kegiatan PKM oleh Tim Dosen dan mahasiswa Universitas Telkom kali ini bertujuan untuk memberikan pelatihan pembuatan website kepada para pelaku rumah makan dan produk lokal warga sehingga mereka bisa memasarkan dan menjual produk kulinernya tidak hanya untuk diwilayah rumah mereka tetapi bisa keluar desa dan lebih luar lagi. Pelatihan ini dimulai dengan melakukan observasi terhadap kebutuhan mereka dalam usaha mereka, dan selanjutnya diberikan pelatihan menggunakan gadget yang mereka miliki. Pelatihan dilakukan pada Hari Jumat tanggal 28 Oktober 2022. Berdasarkan feedback yang dari peserta 98% peserta puas dan merasakan manfaat dari pelatihan yang diberikan, dan berharap dilanjutkan dengan pelatihan lain sehingga mereka dapat meningkatkan pasar mereka.
Investigation of Three-Dimensional Shock Control Bumps for Transonic Buffet Alleviation
Authors: D’Aguanno Alessandro , Schrijer Ferry , van Oudheusden Bas
Published: April 2023

This experimental study investigates the use of shock control bumps (SCBs) for controlling transonic buffet. Three-dimensional SCBs have been applied on the suction side of an OAT15A supercritical airfoil with the experiments conducted in the transonic–supersonic wind tunnel of Delft University of Technology at fully developed buffet conditions ([Formula: see text], [Formula: see text] and [Formula: see text]). The effectiveness of the SCBs for different spanwise array spacings (ranging from 20 to [Formula: see text]) was verified using two optical techniques: schlieren visualization and particle image velocimetry. Both techniques confirmed the potential of controlling buffet using such devices, resulting in a reduction of the flow unsteadiness in terms of both shock oscillation and pulsation of the separated area. A dedicated particle image velocimetry investigation in a spanwise–chordwise measurement plane was conducted in order to characterize the effect of the spatial distribution of the bumps, focusing on the interaction of the shock-wave structures along the span. The configuration with a spacing of [Formula: see text] was demonstrated to be the most efficient in reducing the transonic buffet oscillations and was able to reduce the reverse flow region size as compared to the clean configuration.
PENGARUH PEMBERIAN KOMBINASI AMPAS TAHU DAN LIMBAH ROTI AFKIR YANG DIFERMENTASI SEBAGAI NUTRISI TERHADAP PERTUMBUHAN DAN PRODUKSI MAGGOT (Hermetia illucens)
Authors: Febry Ferdiyanto Purba  , T. Iskandar Johan  , Muhammad Hasby
Published: April 2023

This study aims to determine the effect of giving a combination of tofu pulp and fermented bread on the growth and production of maggots. The method used is a complete Randomized Design (RAL) 5 treatments with 3 tests, namely, P1: Tofu dregs (100%), P2: tofu dregs (75%) + afkir bread (25%), P3: tofu dregs (50%) + afkir bread (50%), P4: tofu dregs (25%) + afkir bread (75%) and P5: afkir bread (100%). The results of the study obtained the best combination of nutrients, namely P3with a weight growth of 0.236 gr and a length growth of 2.00 cm. From the results of the protein content test, the highest maggot protein at P5 was obtained at 43.09%. While the measurement of maggot media obtained a temperature of 34-40oC and a pH of 4.5-7.
The Roles of A Farmer Group in the Development of Organic Rice (BRITANIC) in Krisik Gandusari Village
Authors: Santi Ike Wika , Bakhtiar Ary , Agustina Yohana
Published: April 2023

This research aims to investigate the roles of the Nuju Makmur V farmer group in Krisik Gandusari village, Blitar, and to figure out the regeneration of the farmer group in developing organic rice (BRITANIC). The researchers used descriptive analysis and the Likert scale to explore the roles of the farmer group. Moreover, the researchers conducted observation and interviews to investigate the group's regeneration in developing BRITANIC organic rice. The sampling was conducted using the saturated sampling technique in which all 20 members of the farmer group involved in the rice business became the respondents. The results show that the roles of the farmer group, such as conducting regular meetings, establishing cooperation, and managing production units, are categorized as high, with a range value between 34.1 to 42 reaching 100%. The regeneration analysis results show that in the business development of BRITANIC organic rice, the number of Nuju Makmur V farmer group members has decreased from 40 to 20 due to senescence, resettlement, and deaths from Covid-19. In conclusion, the regeneration of young farmers is crucial in developing the high-quality product of BRITANIC rice in Krisik Gandusari Village, Blitar
Cluster Analysis of The Potential Palawija Plants in Central Java Province
Authors: Mujiono Mujiono , Sumartono Eko
Published: April 2023

This study aims to research the potential of secondary crops in Central Java exploitation cluster analysis (non-hierarchical) and maping employing a geographic information system. processing was allotted using SPSS 15.0 and Arcgis 10. 2. The results showed that Sukoharjo, Kudus, Demak, Pekalongan, Pemalang, Tegal, Brebes, Magelang town, Surakarta City, Salatiga City, city City, Pekalongan City, Tegal City had low potential (cluster 3), whereas Cilacap, Banjarnegara, Kebumen, Purworejo, Wonosobo, Boyolali, Wonogiri, Grobogan, Blora, Rembang, Temanggung, High Potential are classified as medium. The regions with high potential for secondary crops are Banyumas, Purbalingga, Magelang, Klaten, Karanganyar, Sragen, Pati, Semarang, Kendal, and Batang.
PD-1/PD-L1 Immunotherapy: Combating Drug Resistance in Breast Cancer
Authors:   Division of Cancer Research, Regional Cancer Centre (Research Centre, University of Kerala), Thiruvananthapuram, India, Antony Gisha Rose , Parambil Sulfath Thottungal ,   Division of Cancer Research, Regional Cancer Centre (Research Centre, University of Kerala), Thiruvananthapuram, India, Littleflower Ajeesh Babu ,   Division of Cancer Research, Regional Cancer Centre (Research Centre, University of Kerala), Thiruvananthapuram, India, Subhadradevi Lakshmi ,   Division of Cancer Research, Regional Cancer Centre (Research Centre, University of Kerala), Thiruvananthapuram, India
Published: April 2023

In recent years, immune-checkpoint blocking therapy targeting the PD-1/PD-L1 axis has advanced tumor immunotherapy to a new level, with positive outcomes in a variety of malignant tumors. Tumors can avoid an antigen-specific T cell immune response by means of PD-1/PD-L1 signaling, which adversely controls T cell-mediated immune response. In clinical practice, it was shown that while some patients did have long-term success with immunotherapy, the majority eventually had resistance to drugs and recurrence. Hence, one of the main challenges that severely restricts the long-lasting benefits and widespread use of PD-1/PD-L1 blocking treatment is both primary and acquired resistance. Therefore, it is high time to understand the mechanisms of resistance for improving anti-PD-1/PD-L1 efficacy. In this review, we describe major signaling pathways that regulate PD-1/PD-L1 axis in cancers as well as the role of PD-1/PD-L1 in breast cancer development and progression. In addition, we further discuss the involvement of PD-1/PD-L1 axis in multi-drug resistance in cancers, which affected breast cancer and other solid tumor response rates and durability to treatment strategies.
Design Principles for Grain Boundaries in Solid-State Lithium-Ion Conductors
Authors: Dawson James , Quirk James
Published: April 2023

Although polycrystalline solid electrolytes are central to the utilization of solid- state batteries with lithium metal anodes, lithium dendrite formation and reduced Li-ion conductivity at their grain boundaries remain primary concerns. Given that experimental studies on polycrystalline materials are notoriously difficult to perform and interpret, computational techniques are invaluable for providing insight at the atomic scale. Here, we carry out first-principles calculations on representative grain boundaries in three important Li-based solid electrolyte families, namely, an anti-perovskite oxide, Li3OCl, a thiophosphate, Li3PS4, and a halide, Li3InCl6, to demonstrate the significantly different impacts that grain boundaries have on their electronic structure, ion conductivity and correlated ion transport. Our results show that even when grain boundaries do not significantly impact ionic conductivity, they can still strongly perturb the electronic structure and contribute to undesirable electrical conductivity and potential lithium dendrite propagation. We also illustrate, for the first time, how cor- related motion, including the so-called paddle-wheel mechanism, which has so far only been considered for the bulk, can vary substantially at grain boundaries. Our findings reveal the dramatically different behaviour of solid electrolytes at the grain boundary compared to the bulk and its potential consequences and benefits for the design of solid-state batteries.
A sticky bacterium can overcome various antiadhesive surfaces
Authors: Yoshimoto Shogo , Ishii Satoshi , Kawashiri Ayane , Matsushita Taishi , Linke Dirk , Göttig Stephan , Kempf Volkhard , Takai Madoka , Hori Katsutoshi
Published: April 2023

While microorganisms have evolved to adhere and form biofilms on surfaces, many materials with antiadhesive surfaces have been developed. The Gram-negative bacterium Acinetobacter sp. Tol 5 exhibits high adhesiveness to various surfaces of general materials, from hydrophobic plastics to hydrophilic glasses and metals, via AtaA, an Acinetobacter trimeric autotransporter adhesin (TAA). However, efficient antiadhesive surfaces should prevent the adhesion of Tol 5. Here, we examined the adhesion of Tol 5 and other bacteria expressing different TAAs to antiadhesive surfaces. The results highlighted the stickiness of Tol 5 through the action of AtaA, which enabled Tol 5 cells to adhere even to antiadhesive materials, including polytetrafluoroethylene with a low surface free energy, a hydrophilic polymer brush exerting steric hindrance, and mica with an ultrasmooth surface. Single-cell force spectroscopy as an atomic force microscopy technique revealed the strong cell adhesion force of Tol 5 to these antiadhesive materials. Nevertheless, Tol 5 cells showed a weak adhesion force toward a zwitterionic 2-methacryloyloxyethyl-phosphorylcholine (MPC) polymer-coated surface. Dynamic flow cell experiments revealed that Tol 5 cells, once attached to the MPC polymer-coated surface, were exfoliated by weak shear stress. The underlying adhesive mechanism was presumed to involve exchangeable, weakly bound water molecules, suggesting that a perfect antiadhesive surface needs to possess a high free water fraction.
Cobalt(III)-Catalyzed Free Amine Directed Site-Selective Allylation in 2-Aminobiaryls with Vinyl Cyclopropanes
Authors: Chowdhury Deepan , Ghosh Suman , Reddy K.S.S.V. Prasad , Yamijala Sharma S.R.K.C. , Baidya Mahiuddin
Published: April 2023

2-Aminobiaryls are privileged scaffolds and their cogent synthesis and diversifications, particularly through the C-H bond activation strategy, is a continuous enterprise in organic synthesis. In this realm, capitalization on susceptible native amine (-NH2) directing group is beneficial but increasingly challenging owing to its innate nucleophilic reactivity. Also, the C-H activation reactions of this class of substrates have traditionally been restricted to the cross-ring C-H bond as the ortho C-H functionalization presumably requires the formation of a strained high-energy four-membered metallacycle. Herein, we report the first example of free amine-directed ortho C-H activation reaction of 2-aminobiaryls under high-valent Cp*Co(III)-catalysis, enabling regio- and stereoselective allylation reaction in high yields. The protocol engages vinyl cyclopropanes as allyl synthons where the C-C bond construction event was tunneled to a C-C activation process to forge internal olefin with exclusive (E)-selectivity. The products were judicially used to access high-value benzo[d]isoxazoles and dihydro phenanthridine derivatives. Mechanistic experiments and DFT calculations have also been conducted to unravel the rationale behind the unique site selectivity, where the thermodynamic constraints of the corresponding intermediates favoring the ortho C-H activation over cross-ring functionalization.
SPSiPs, A New Class of Biphosphine Ligands Based on SPSiOL with a Large Dihedral Angle
Authors: Li Hao , Zhao Peng-Gang , Wang Cai-Yun , Zhang Ruo-Yu , Li Jian-Jun , Wu Yichen , Wang Peng
Published: April 2023

Here, we demonstrate the development and the synthetic applications of a novel class of diphosphine ligands (SPSiP) based on chiral spirosilabiindane diol (SPSiOL). Starting from SPSiOL, the biphosphine ligands could be readily prepared in three steps with high efficiency. This novel class of biphosphine ligands features rigid configuration, a large dihedral angle, a large P–M–P angle, and a long P–P distance, which might possess unique catalytic reactivities. The potentials of SPSiPs in asymmetric catalysis have also been preliminary disclosed by Rh-catalyzed asymmetric hydrogenation, Rh-catalyzed tandem hydrosilylation, and Pd-catalyzed asymmetric allylic alkylation.
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Authors: Li Manni Giovanni , Fernández Galván Ignacio , Alavi Ali , Aleotti Flavia , Aquilante Francesco , Autschbach Jochen , Avagliano Davide , Baiardi Alberto , Bao Jie J. , Battaglia Stefano , Birnoschi Letitia , Blanco-González Alejandro , Bokarev Sergey I. , Broer Ria , Cacciari Roberto , Calio Paul B. , Carlson Rebecca K. , Carvalho Couto Rafael , Cerdán Luis , Chibotaru Liviu F. , Chilton Nicolas F. , Church Jonathan Richard , Conti Irene , Coriani Sonia , Cuéllar-Zuquin Juliana , Daoud Razan E. , Dattani Nike , Decleva Piero , de Graaf Coen , Delcey Mickaël G. , De Vico Luca , Dobrautz Werner , Dong Sijia S. , Feng Rulin , Ferré Nicolas , Filatov(Gulak) Michael , Gagliardi Laura , Garavelli Marco , González Leticia , Guan Yafu , Guo Meiyuan , Hennefarth Matthew R. , Hermes Matthew R. , Hoyer Chad E. , Huix-Rotllant Miquel , Jaiswal Vishal Kumar , Kaiser Andy , Kaliakin Danil S. , Khamesian Marjan , King Daniel S. , Kochetov Vladislav , Krośnicki Marek , Kumaar Arpit Arun , Larsson Ernst D. , Lehtola Susi , Lepetit Marie-Bernadette , Lischka Hans , López Ríos Pablo , Lundberg Marcus , Ma Dongxia , Mai Sebastian , Marquetand Philipp , Merritt Isabella C. D. , Montorsi Francesco , Mörchen Maximilian , Nenov Artur , Nguyen Vu Ha Anh , Nishimoto Yoshio , Oakley Meagan S. , Olivucci Massimo , Oppel Markus , Padula Daniele , Pandharkar Riddhish , Phung Quan Manh , Plasser Felix , Raggi Gerardo , Rebolini Elisa , Reiher Markus , Rivalta Ivan , Roca-Sanjuán Daniel , Romig Thies , Safari Arta Anushirwan , Sánchez-Mansilla Aitor , Sand Andrew M. , Schapiro Igor , Scott Thais R. , Segarra-Martí Javier , Segatta Francesco , Sergentu Dumitru-Claudiu , Sharma Prachi , Shepard Ron , Shu Yinan , Staab Jakob K. , Straatsma Tjerk P. , Sørensen Lasse Kragh , Tenorio Bruno Nunes Cabral , Truhlar Donald G. , Ungur Liviu , Vacher Morgane , Veryazov Valera , Voß Torben Arne , Weser Oskar , Wu Dihua , Yang Xuchun , Yarkony David , Zhou Chen , Zobel J. Patrick , Lindh Roland
Published: April 2023

In this article the recent developments of the open-source OpenMolcas chemistry software environment, since spring 2020, are described, with the main focus on novel functionalities that are accessible in the stable branch of the package and/or via interfaces with other packages. These community developments span a wide range of topics in computational chemistry, and are presented in thematic sections associated with electronic structure theory, electronic spectroscopy simulations, analytic gradients and molecular structure optimizations, ab initio molecular dynamics, and other new features. This report represents a useful summary of these developments, and it offers a solid overview of the chemical phenomena and processes that OpenMolcas can address, while showing that OpenMolcas is an attractive platform for state-of-the-art atomistic computer simulations.
Radium Revisited: Revitalization of the Coordination Chemistry of Nature’s Largest 2+ Cation
Authors: Bai Zhuanling , Brannon Jacob , Celis-Barros Cristian , Beck Nicholas , Sperling Joseph , Rotermund Brian , Martinez Daniela , Wineinger Hannah , Albrecht-Schönzart Thomas
Published: April 2023

The crystallization, single-crystal structure, and Raman spectroscopy of Ra(NO3)2 have been investigated by experiment and theory, which represent the first, pure radium compound characterized by single crystal X-ray diffraction. The Ra2+ centers are bound by six chelating nitrate anions to form an anticuboctahedral geometry. The Raman spectrum acquired from a single crystal of Ra(NO3)2 generally occurs at a lower frequency than found in Ba(NO3)2 as expected. Computational studies on Ra(NO3)2 provide an estimation of the bond orders via Wiberg bond indices and indicate that Ra–O interactions are weak with values of 0.025 and 0.026 for Ra–O bonds. Inspection of natural bond orbitals and natural localized molecular orbitals suggest negligible orbital mixing. However, second-order perturbation interactions show that donation from the lone pairs of the nitrate oxygen atoms to the 7s orbitals of Ra2+ stabilize each Ra–O interaction by ca. 5 kcal mol−1.
Antioxidant Activity via Free Radical Scavenging of Pitavastatin and Its Hydroxylated Metabolites. A Quantum Chemical Attempt Aiming to Assist Drug Development
Authors: Baldea Ioan
Published: April 2023

Statins form a class of drugs often administered in a variety of cardiovascular diseases, for which their antioxidant capacity appears particularly relevant. Although experiments have long provided empirical evidence that statins can suppress various oxidation pathways, theoretical attempts to quantify the antioxidant activity of statins (read, atorvastatin ATV, because this is the only one studied so far) were not published until last year. Molecular and clinical differences of stains trace back to the ring attached to the statin’s active moiety. This can be, e.g., a pyrrole, as the case of the aforementioned ATV or a quinoline, as the case of pitavastatin (PVT), which represents the focus of the present work. Extensive results reported here for PVT and derivative include the thermodynamic antioxidant descriptors (bond dissociation enthalpy BDE, adiabatic ionization potential IP, proton dissociation enthalpy PDE, proton affinity PA, and electron transfer enthalpy ETE) related to the three antioxidant mechanisms (hydrogen atom transfer HAT, stepwise electron transfer proton transfer SETPT, sequential proton loss electron transfer SPLET). Our particular emphasis is on the PVT’s hydroxylated derivatives wherein a hydroxy group replaces a hydrogen atom either on the quinoline core (Q-hydroxylated metabolites) or on the fluorophenyl ring (F-hydroxylated metabolites). Our calculations indicate that both the Q- and F-hydroxylated metabolites possess antioxidant properties superior to the parent PVT molecule. Given the fact that, to the best of our knowledge, no experimental data for the antioxidant potency of PVT and its hydroxylated derivatives exist, this is a theoretical prediction, and we Given the fact that, to the best of our knowledge, no experimental data for the antioxidant potency of PVT and its hydroxylated derivatives exist, this is a theoretical prediction for the validation of which we aim hereby to stimulate companion experimental in vivo and in vitro investigations and inspire pharmacologists in further drug developments.
Click'n lock: Rapid exchange between asymmetric tetrazines and thiols enables reversible, chemoselective clicking and on demand locking
Authors: Gavriel Katerina , van Doeselaar Dustin , Geers Daniëlle , Neumann Kevin
Published: April 2023

The late-stage functionalization and diversification of complex structures including biomolecules is often achieved with the help of click chemistry. Besides employing irreversible click-like reactions, many synthetic applications benefit from reversible clicking strategies, so called de-/trans-click approaches. Yet, the combination of both, reversible and irreversible click chemistry – while still respecting the stringent criteria of click transformations – remains so far elusive for modifications of high value structures. Here, we report click’n lock as a concept that enables reversible clicking and on-demand locking of chemical entities, thus switching from reversible to irreversible modifications of complex (bio)molecules. For this purpose, we employ the tetrazine – thiol exchange (TeTEx) reaction as a fully traceless click reaction with second order rate constants k2 up to 25 M-1 s-1 within aqueous environments. Employing TeTEx as a reversible click reaction for the chemoselective modification of biomolecules is made possible by the use of asymmetric 3,6-tetrazines bearing a single sulfide residue. The inherent reactivity of tetrazines towards inverse electron demand Diels – Alder (IEDDA) reactions allows to stabilize the clicked structure, switching from reversible to irreversible systems (click’n lock).
Catalytic, Sulfur-Free Chain Transfer Agents that Alter the Mechanical Properties of Crosslinked Photopolymers
Authors: Bagnall Nicholas , Jones Meredith , Jernigan G. Cole , Routt Chase , Dar Lisa , Worrell Brady
Published: April 2023

Thermosetting materials generated by photopolymerization are inherently highly crosslinked and suffer from significant shrinkage stress, are often brittle, and have a limited range of mechanical properties. Various classes of chain transfer agents (CTAs) have been investigated and developed to reduce the crosslinking density of photopolymers by terminating kinetic chains and initiating new chains in situ. Although CTAs are successful in manipulating the mechanical properties of photopolymers, they are traditionally consumed during the polymerization and are therefore required in high loadings (up to 20 wt% of total formulation). Moreover, traditional CTAs frequently contain sulfur which is malodorous and can create unstable formulations. Presented here is a catalytic, sulfur-free CTA that can be added in ppm quantities to exist-ing commercial monomer feedstocks to create photopolymers similar to those prepared using traditional CTAs, but at 10,000x lower loadings. These catalysts, which are based on macrocyclic cobaloximes, were found to tunably reduce the molecular weight of the kinetic chain proportional to catalyst loading. It was shown, using only commercial monomers, that this catalyst could reduce the glass transition temperature (Tg), rubbery modulus (E’rubbery), and stiffness.
Relief and geological structure of Vyzhnytskyi and Cheremoskyi national natural parks (Ukrainian Carpathians)
Authors: Brusak V. P. , Kravchuk Ya. S.
Published: April 2023

Purpose. Analysis of the relief and geological structure of Vyzhnytskyi and Cheremoskyi national natural parks (NNP) as important components of natural complexes, which, as well as biota, are objects of nature conservation institutions.

Methods. Field research, geological-tectonic and general geomorphological analysis of the NNP’s relief, review of regional descriptive materials and maps.

Results. Vyzhnytskyi NNP and Cheremoskyi NNP are located in the South-Eastern part of the Ukrainian Carpathians within the Chernivtsi region. The analysis of the morphostructure and morphosculpture of NNPs is carried out taking into account the longitudinal (N-W – S-E) and transverse divisions of the Ukrainian Carpathians. The longitudinal division is associated with morphostructures of higher orders, such as second and third, and the transverse is associated with fourth and fifth orders of morphostructure.

The analysis of morphosculpture of NNPs shows the types characteresed the Carpathian Flysch and Сrystalline Carpathians. Mountain ranges and ridges such as Bukovyna med-mountains, Pneve-Yarovytsi and part of Chyvchyn mountains are characterized by an asymmetrical structure – steep northeastern slopes and declivous southwestern slopes. The relic morphosculpture is represented by: 1) fragments of denudation surfaces of different ages such as Polonynska and Pidpolonynska within Cheremoskyi NNP as well as Karmaturska (analogue of Pidbeskid) within Vyzhnytskyi NNP; 2) extra glacial landforms within Cheremoskyi NPP; 3) areas of ancient longitudinal valleys. The inherited morphosculpture is represented by river valleys with a complex of terraces of different ages. The premountain part of Vyzhnytskyi NNP includes the relict ("dead") morphostructure of Bagno river valley.

Modern morphodynamic processes represent a height (tier) differentiation. The highest tier of apical surfaces in the subalpine zone (1,450–1,600 m) of Cheremoskyi NNP is characterized by processes of slow displacement of debris and manifestations of gravitational, avalanche and nival processes. In the tiers of strongly dissected mеd-mountain and low-mountain relief of NNPs, the processes of planar erosion, deflux, and linear erosion play an important role in the modelling of the relief. The lower tier of the terraced and non-terraced bottoms of the valleys are associated with the processes of leaching and erosion as well as a significant accumulation of erosion products and mudflows. Among gravitational processes and block motions, stabilized and active displacements are the most recorded.

Conclusions. In general, the territories of Vyzhnytskyi NNP and Cheremoskyi NNP fully represents the features of geological structure and relief of the south-eastern part of the Ukrainian Carpathians. In conjunction they form a fairly transverse conservation profile of the region from the premountain uplands to the highest ridges of the Marmarosy (Crystal) Carpathians.
Simulation of large-scale forest fire parameters
Authors: Chernogor L. F. , Nekos A. N. , Titenko G. V. , Chornohor L. L.
Published: April 2023

Topicality. There is an urgent need to select the main energy, geometric and thermophysical parameters of forest fires, as well as to assess the main parameters of these fires, including unexplored fire tornadoes and wave processes caused by fires.

Purpose. To develop mathematical models of physical processes caused by large-scale forest fires, evaluate the main parameters of these fires, including unexplored fire tornadoes and wave processes caused by fires.

Methods. Analytical review of the research problem, theoretical and computational, mathematical modeling, systematic analysis of the set of physical effects.

Results. The results of the analysis of the parameters of forest fires and related physical processes caused by large-scale fires are presented. The main energy, geometric and thermophysical parameters of large-scale forest fires are proposed. These include: energy, power, duration, area of fires, as well as the length, intensity and speed of the combustion front, heat flux density, power flux density, torch height, heat and smoke rise height, convection speed, etc. Simple analytical physical and mathematical models of the main parameters of large-scale forest fires have been created. A model of a fiery tornado is proposed. The obtained ratios allow us to estimate the main parameters of fire tornadoes that accompany large-scale forest fires. These include radius, angular velocity, tangential velocity, maximum height and rate of rise of the heated formation. It is shown that, depending on the size of the vortex, the parameters of the fiery tornado vary widely. These relationships make it possible to analyze and evaluate the main parameters of wave processes generated by forest fires. Such parameters are energy, relative share of energy, range of periods of acoustic radiation, etc. The main parameters of forest fires and related physical processes are calculated. It is shown that depending on the area of the fire, these parameters vary widely.

Conclusions. Mathematical models of physical processes caused by large-scale forest fires have been developed, by means of which the parameters of the main effects have been calculated.
Estudo epidemiológico sobre a dengue nas macrorregiões do estado do Piauí: 2011 a 2021
Authors: Mineiro Ana Lícia , Barros Siqueira Tajra Mariana , Albuquerque Lima Layse , Moraes Pessoa Maria Victoria , Calixto Torres Noronha Letícia Maria , Rocha e Silva Hilris
Published: April 2023

INTRODUÇÃO: A dengue, doença viral transmitida pelo mosquito Aedes aegypti, está presente em todas as regiões do Brasil e, no estado do Piauí, teve períodos endêmicos e epidêmicos. OBJETIVO: Realizar estudo epidemiológico sobre a dengue nas macrorregiões do Piauí. MÉTODO: Tratou-se de estudo epidemiológico, documental, quantitativo, de casos de dengue confirmados nas quatro macrorregiões do Piauí, de 2011 a 2021. Os dados foram obtidos pelo sistema de dados do Sistema Único de Saúde (DataSUS), utilizando-se os índices de faixa etária, sexo e raça. RESULTADOS: A maior incidência de dengue nas quatro macrorregiões ocorreu em maio de 2012, e a macrorregião Meio Norte  teve maior incidência de casos, total de (42.125) casos de dengue, sendo 2012 o ano com maior quantitativo (8,098 casos), seguido por 2011 (5.857), 2015 ( 5.369) e 2019 (5.135). Na macrorregião Meio Norte, entre 2011 a 2021, dos 42125 casos de dengue notificados, 31617 evoluíram para cura, o (75,05%). A idade mais acometida foi 20-39 anos, sendo 28,793 casos registrados de dengue no PI, dos quais 18,959 foram notificados no Meio Norte; a maior incidência da doença ocorreu em mulheres (39.284) em 2012 (4689); quanto às gestantes; e, no que se diz respeito à raça, há maior incidência em Pardos (19447). CONCLUSÃO: É necessário planejamento eficaz de combate ao vetor da dengue, priorizando a sazonalidade e populações mais acometidas, como a Região Meio Norte. Além disso, planejar com foco nos primeiros meses do ano.
The Russian еconomy: Challenges and ways for leveling and mitigation of their negative impact
Authors: Ryakhovskaya A. N.
Published: April 2023

The article examines the problems of the development of the domestic economy in non-standard conditions for the formation of market relations, when the implementation of market mechanisms is limited by the total non-market behavior of hostile countries, that is why the tasks of further scientific developments aimed at developing new anti-crisis approaches to the development of the Russian economy are updated and focused on ensuring national economic security in response to new challenges and threats in accordance with highly prioritized strategic national interests. The purpose of the study is to analyze the measures taken by the Government of the Russian Federation to ensure sustainable economic development and to substantiate new anti-crisis mobilizational approaches to regulating the Russian economy in the context of blocking total sanctions of the collective West. The research process was based on a set of general scientific methods, including analysis and synthesis, induction and deduction, generalization and analogy, methods of comparison, matching, historical and logical method, interpretation, and others. It is concluded that it is possible and necessary to strengthen anti-crisis state regulation of the economy with its reorientation to a mobilization economic model and the formation of a balanced mechanism for the interaction of production and consumption in key sectors of the real sector of the Russian economy, taking into account Russia’s strategic priorities in modern business conditions. The practical significance of the results of the study lies in the possibility of their use in the field of state anti-crisis management and the development of strategies for the development of the national economy.
Improving the methodology for assessing the digital maturity index of Russian regions, taking into account aspects of the second and third stages of digital transformation of PMA based on foreign experience
Authors: Abramov V. I. , Andreev V. D.
Published: April 2023

The purpose of the study is to identify and determine the directions and accounting factors included in the algorithm for assessing the digital maturity index of Russian regions to improve this methodology, taking into account aspects of the second and third stages of digital transformation of public and municipal administration (PMA). In the course of the work, methods of analysis, generalization and systematization were applied. The authors noted the problem of inconsistency of the target directions of the PMA digital transformation with the actual activities, indicated the expediency of taking into account the indicators in the proposed directions when assessing the digital maturity index in the regions of Russia. The paper defines digital ecosystems, reflects the relationship between their features and the methodology for assessing the digital transformation of public and municipal administration, the stages of which are characterized and specified by the example of foreign experience. The relevance of the research lies in the strategic need to find growth points to increase the efficiency and effectiveness of PMA in the context of digital realities.The practical significance of the results lies in the possibility of using the proposed directions and accounting factors in the methodology for assessing digital maturity in the constituent entities of the Russian Federation by public authorities while they are being modernized.
You shall know a term by the company it keeps: collocations of the term evidence in general and legal corpora
Authors: Michta Tomasz
Published: April 2023

Despite the progress made in the study of collocations, their use in specialised languages by and large continues to be underresearched. The present article attempts to go some way towards filling this gap by looking at variation in collocations of a single term (evidence) as extracted from a general corpus and a legal one, and by exploring the implications of such variation for the retrieval of legal collocations. In particular, the study looks at a) the overrepresentation of collocations in the legal corpus, b) the underrepresentation of collocations in the legal corpus, and c) the potential of both corpora for collocation retrieval. The findings suggest that there are striking differences between the use of collocations in each corpus and that such differences can radically affect the lists of collocations obtained from each corpus.
Using the LARA platform to crowdsource a multilingual, multimodal Little Prince
Authors: Akhlaghi Elham , Bączkowska Anna , Bédi Branislav , Beedar Hakeem , Chua Cathy , Cucchiarini Catia , Habibi Hanieh , Horváthová Ivana , Maizonniaux Christèle , Chiaráin Neasa Ní , Paterson Nathalie , Raheb Chadi , Rayner Manny , Yao Chunlin
Published: April 2023

We describe an ongoing project, in which an informally organised international consortium is using the open source LARA platform to create multimodal annotated editions of Antoine de Saint-Exupéry’s Le petit prince in multiple languages, so far French, English, Italian, Icelandic, Irish, Japanese, Polish, Farsi and Mandarin. LARA versions of the book include integrated audio and translations and an automatically generated lemma-based concordance, and are freely available online. We describe the methods used to construct the various versions. In some cases, work for a given language was simply divided by type, typically with one person adding translations and another recording audio. In other languages, we experimented with crowdsourcing methods, splitting the text into chapter-sized units and using the LARA platform to distribute these to multiple annotators, then combining the results at the end. Finally, we report an initial classroom study, where the French version was used by intermediate-level Australian students of French.
DEVELOPMENT AND CONDITION OF FORESTS OF THE FAR EAST
Authors:   Timirâzevskaâ selʹskohozâjstvennaâ akademiâ, Kovalev A. P. , Gromyko O. S.
Published: April 2023

At the present stage, the most important environmental issues include the problem of preserving biological diversity, which is especially relevant for natural landscapes located in urbanized conditions. In the forest areas under the conditions of anthropogenic impacts, the transformation of the regional flora takes place, thereby it adapts to the action of environmental factors. The aim of the study was to analyze the taxonomic structure of the vascular plant flora of the Forest Experimental Station of the Timiryazev Agricultural Academy (Moscow). Materials on the formation of the floristic list of the Forest Experimental Station were obtained during inventories of permanent trial ones for the period from 2000 to 2022, as well as route surveys of the territory in 2019-2022. In addition, a vascular plant download from the GBIF since 2000 was used. The study showed that the current floristic list of vascular plants of the Forest Experimental Station of the Timiryazev Agricultural Academy includes 352 species belonging to 202 genera and 68 families included in five classes. The largest taxa are the families Rosaceae, Asteraceae, Poaceae, Lamiaceae, Cyperaceae, which account for 52.3% of the species. In the Forest Experimental Station, 11 species of vascular plants listed in the Red Book of Moscow were identifi ed. The fraction of adventitious vascular plants in the flora of the Forest Experimental Station includes 99 species (28.1% of the total number of identified species), belonging to 66 genera and 34 families. Among the families of the adventitious fraction, the most multispecies are Rosaceae (22 species), Aceraceae (10 species), Asteraceae (7 species), Pinaceae (7 species). The proportion of adventitious species does not exceed 30%, so the fl ora should be considered natural, slightly disturbed. Despite the high level of recreation, pollution from road transport, the plant communities of the Forest Experimental Station continue to retain signs of a natural object that correspond to the natural conditions of the Moscow region.