bluuebunny/crossref_metadata_2025 huggingface dataset:
Integration of theory, simulation, artificial intelligence and virtual reality: a four-pillar approach for reconciling accuracy and interpretability in computational spectroscopy
Authors: Barone Vincenzo , Puzzarini Cristina , Mancini Giordano
Published: July 2021

A general “four-pillar strategy” (theory, simulation, machine learning and augemented reality/virtual reality) to integrate computational and experimental spectroscopy.
Two-dimensional metallic carbon allotrope with multiple rings for ion batteries
Authors: Cheng Zishuang , Zhang Xiaoming , Zhang Hui , Gao Jianbo , Liu Heyan , Yu Xiao , Dai Xuefang , Liu Guodong , Chen Guifeng
Published: July 2021

PAI-graphene with outstanding performance for LIBs/NIBs.
Dramatically enhanced Seebeck coefficient in GeMnTe2–NaBiTe2 alloys by tuning the Spin's thermodynamic entropy
Authors: Zhang Yan , Xu Liang , Liu Guo-Qiang , Cai Jianfeng , Yin Yinong , Shi Fanfan , Tan Xiaojian , Jiang Jun
Published: July 2021

When the exchange integral J in GeMnTe2 is reduced by enlarging the lattice constant, we show that the Seebeck coefficient is dramatically enhanced owing to the increase of the spin's thermodynamic entropy.
Modern multireference methods and their application in transition metal chemistry
Authors: Khedkar Abhishek , Roemelt Michael
Published: July 2021

Modern multireference methods open up the possibility to treat complicated transition metal systems on a physically sound basis.
Gas-phase hydration of nopinone: the interplay between theoretical methods and experiments unveils the conformational landscape
Authors: Neeman Elias M. , Avilés Moreno Juan Ramón , Huet Thérèse R.
Published: July 2021

The conformational landscape of hydrated nopinone up to three water molecules has been investigated in the gas phase using a combination of theoretical calculations to FP-FTMW spectroscopy.
Hydride- and halide-substituted Au9(PH3)83+ nanoclusters: similar absorption spectra disguise distinct geometries and electronic structures
Authors: Ceylan Yavuz S. , Gieseking Rebecca L. M.
Published: July 2021

Ligands dramatically affect the electronic structure of gold nanoclusters (NCs) and provide a useful handle to tune the properties required for nanomaterials that have high performance for important functions like catalysis.
Photocatalytic CO2 reduction to CH4 on iron porphyrin supported on atomically thin defective titanium dioxide
Authors: Wu Yiwen , Yan Li , Yu Yaqin , Jing Chuanyong
Published: July 2021

The synergistic effect of OVs and FeTPP on 2D TiO2 improves the efficiency and selectivity of CO2 photoreduction to CH4.
Ba-MOFs with tetrazole-based acetic acids: unusual configuration, novel topology and high proton conductivity
Authors: Yang Jie , Zhang Shunlin , Feng Zhe , Cao Ying , Zhu Dun-Ru
Published: July 2021

8-, 9- and 10-coordinated Ba(ii) ions with rare configurations and unprecedented trinodal topologies of frameworks have been found in Ba-MOFs built from three tetrazole-based acetic acids.
High-throughput computational search for high carrier lifetime, defect-tolerant solar absorbers
Authors: Dahliah Diana , Brunin Guillaume , George Janine , Ha Viet-Anh , Rignanese Gian-Marco , Hautier Geoffroy
Published: July 2021

We present an ab initio high-throughput screening approach to search for new high-efficiency photovoltaic absorbers taking into account carrier lifetime and recombination through defects.
Doping-modulated strain control of bifunctional electrocatalysis for rechargeable zinc–air batteries
Authors: Li Zhao , Wang Qi , Bai Xiaowan , Wang Maoyu , Yang Zhenzhong , Du Yingge , Sterbinsky George E. , Wu Duojie , Yang Zhenzhen , Tian Huajun , Pan Fuping , Gu Meng , Liu Yuanyue , Feng Zhenxing , Yang Yang
Published: July 2021

A new strategy is designed to synthesize strained cobalt fluoride–sulfide catalysts with tunable lattice strains modulated by the Cu-dopant and stabilized local strain by forming a core–shell heterostructure in well-confined porous/tubular films.
High-performance Ni-rich Li[Ni0.9–xCo0.1Alx]O2 cathodes via multi-stage microstructural tailoring from hydroxide precursor to the lithiated oxide
Authors: Park Geon-Tae , Park Nam-Yung , Noh Tae-Chong , Namkoong Been , Ryu Hoon-Hee , Shin Ji-Yong , Beierling Thorsten , Yoon Chong S. , Sun Yang-Kook
Published: July 2021

The chemical and microstructural engineering of a Li[NixCoyAl1–x–y]O2 (NCA) cathode starting from its precursor stage produces a unique structure and significantly extends the battery life.
Extraction of ultratrace dissolved gaseous mercury and reactive mercury in natural freshwater for stable isotope analysis
Authors: Zhang Hui , Wu Xian , Deng Qianwen , Zhang Leiming , Fu Xuewu , Feng Xinbin
Published: July 2021

A new method is developed to preconcentrate the ultratrace dissolved gaseous mercury and reactive mercury in natural freshwater for stable isotope analysis.
A rapid nucleic acid concentration measurement system with large field of view for a droplet digital PCR microfluidic chip
Authors: Shen Jinrong , Zheng Jihong , Li Zhenqing , Liu Yourong , Jing Fengxiang , Wan Xinjun , Yamaguchi Yoshinori , Zhuang Songlin
Published: July 2021

Droplet digital polymerase chain reaction (ddPCR) is an effective technique, with unparalleled sensitivity, for the absolute quantification of target nucleic acids.
The development of poly(ethylene oxide) reinforced with a nanocellulose-based nanocomposite polymer electrolyte in dye-sensitized solar cells
Authors: Rani Mohd Saiful Asmal , Abdullah Nur Athirah , Sainorudin Muhammad Hanif , Mohammad Masita , Ibrahim Salmiah
Published: July 2021

Here, we describe a nanocomposite polymer electrolyte prepared using a solution casting technique.
A facile, cost-effective, rapid, single-step synthesis of Ag–Cu decorated ZnO nanoflower-like composites (NFLCs) for electrochemical sensing of dopamine
Authors: Ponnada Srikanth , Gorle Demudu Babu , Kiai Maryam Sadat , Rajagopal Saravanakumar , Sharma Rakesh Kumar , Nowduri Annapurna
Published: July 2021

The ability to detect neurotransmitters in the human serum environment rapidly, extremely sensitively, and selectively is critical for clinical biology.
High-field/high-frequency EPR spectroscopy on synthetic melanin: on the origin of carbon-centered radicals
Authors: Paulin J. V. , Batagin-Neto A. , Naydenov B. , Lips K. , Graeff C. F. O.
Published: July 2021

High-field/high-frequency electron paramagnetic resonance spectroscopy was employed to synthesize melanin to provide relevant information on the carbon-centered free-radical nature of this biomaterial.
Nanometer-thick [(FPEA)2PbX4; X = I and Br] 2D halide perovskite based thin films for pollutant detection and nonconventional photocatalytic degradation
Authors: Mondal Arindam , Lata Akash , Prabhakaran Aarya , Gupta Satyajit
Published: July 2021

Application of three-dimensional (3D)-halide perovskites (HaPs) in photocatalysis encourages the new exercise with two-dimensional (2D) HaP based thin-films for photocatalytic degradation of dyes.
Laser-induced highly oriented pyrolytic graphite for high-performance screen-printed electrodes
Authors: Alba Alejandro Fidel , Totoricaguena-Gorriño Joseba , Campos-Arias Lia , Peřinka Nikola , Ruiz-Rubio Leire , Vilas-Vilela José Luis , Lanceros-Méndez Senentxu , del Campo Francisco Javier
Published: July 2021

Laser-induced graphitization leads to screen printed highly oriented pyrolytic graphite electrodes.
High thermal conductivity thermoplastic polyurethane/boron nitride/liquid metal composites: the role of the liquid bridge at the filler/filler interface
Authors: Ji Zemin , Liu Wenyi , Ouyang Chenguang , Li Yanbao
Published: July 2021

Liquid metal as liquid bridging agent to connect heat fillers at the filler/filler interface plays a vital role to enchance thermal conductivity of polymer composite, which has a high TC of 2.64 ± 0.10 W m−1 K−1.
Light-controlled versatile manipulation of liquid metal droplets: a gateway to future liquid robots
Authors: Ren Hongtai , Jin Hu , Shu Jian , Xie Jie , Wang Erlong , Ge Du-An , Tang Shi-Yang , Li Xiangpeng , Li Weihua , Zhang Shiwu
Published: July 2021

A light-controlled method for the versatile manipulation of liquid metal droplets is introduced. This approach shows the ability of inducing concurrent motion of multiple liquid metal droplets using infrared light without complex and bulky systems.
Candidate kinases for adipogenesis and osteoblastogenesis from human bone marrow mesenchymal stem cells
Authors: Yi Xia , Wu Ping , Liu Jianyun , He Shan , Gong Ying , Xiong Jianjun , Xu Xiaoyuan , Li Weidong
Published: July 2021

Adipogenesis and osteoblastogenesis (adipo-osteoblastogenesis) are closely related processes involving with the phosphorylation of numerous cytoplasmic proteins and key transcription factors.
Preparation of high-strength and high-toughness biomass medical films based on a polydopamine dynamically united calcium alginate/carboxymethyl chitosan dual network
Authors: Yan Ming , Shi Junfeng , Tang Song , Zhou Guohang , Zeng Jiexiang , Zhang Yixin , Zhang Hong , Yu Yue , Guo Jing
Published: July 2021

A high-strength and high-toughness biomass medical film was prepared using a polydopamine dynamically united calcium alginate/carboxymethyl chitosan dual network.
Pt modified Ni–Mo-based hydrates as bifunctional electrocatalysts for overall water splitting
Authors: Guan Yayu , Liu Yuyu
Published: July 2021

Pt-Modified Ni–Mo-based nanomaterials were prepared by a simple and effective method.
Biodegradation of anionic polyacrylamide mediated by laccase and amidase: docking, virtual mutation based on affinity and DFT study
Authors: Wang Fanglue , Zhang Dongchen , Wu Xuefeng , Deng Shengsong
Published: July 2021

The aim of this work was to document the elucidation of a mechanism as a reference.
Ni(ii) dithiolate anion composites with two-dimensional materials for electrochemical oxygen evolution reactions (OERs)
Authors: Singh Ayushi , Singh Amita , Kociok-Köhn Gabriele , Molloy Kieran C. , Singh Ashish Kumar , Kumar Abhinav , Muddassir Mohd.
Published: July 2021

A redox active anionic nickel dithiolate complex was synthesized and its composites with GO, rGO and GN were prepared and used as electrocatalyts in the OER.
A xanthene-based novel colorimetric and fluorometric chemosensor for the detection of hydrazine and its application in the bio-imaging of live cells
Authors: Guria Uday Narayan , Manna Saikat Kumar , Maiti Kalipada , Samanta Sandip Kumar , Ghosh Aritri , Datta Pallab , Mandal Debasish , Mahapatra Ajit Kumar
Published: July 2021

An efficient xanthene-based colorimetric and fluorometric probe (MXI) for the selective detection of hydrazine in solution and in living cells.
Cross-linked, porous imidazolium-based poly(ionic liquid)s for CO2 capture and utilisation
Authors: Eftaiha Ala'a F. , Qaroush Abdussalam K. , Hasan Areej K. , Assaf Khaleel I. , Al-Qaisi Feda'a M. , Melhem Maryam E. , Al-Maythalony Bassem A. , Usman Muhammad
Published: July 2021

A series of micro/meso porous imidazolium poly(ionic liquid)s for CO2 capture and utilization is reported. They show moderate sorption capacity under RTP conditions, and good catalytic activity towards the cycloaddition of CO2 and epoxides to synthesize cyclic carbonates.
A kinetic method for detecting intramolecular peptide H-bonds
Authors: Prabhakaran Erode N. , Reddy Damodara N. , Banerjee Shreya
Published: July 2021

The current method for the detection of peptide hydrogen bond (PHB) formation places charge donors/acceptors (D/A) at the N-/C-termini of the peptides involved in the putative PHB.
Rational design and development of a lit-active photoswitchable inhibitor targeting CENP-E
Authors: Matsuo Kazuya , Tamaoki Nobuyuki
Published: July 2021

Lit-active (cis-active) photoswitchable inhibitor targeting centromere-associated protein E (CENP-E) was developed through the rational design.
Highly 2,3-selective and fast living polymerization of alkyl-, alkoxy- and phenylallenes using nickel(ii) catalysts
Authors: Kang Shu-Ming , Xu Xun-Hui , Xu Lei , Zhou Li , Liu Na , Wu Zong-Quan
Published: July 2021

A novel Ni(ii) catalyst was developed to initiate the polymerization of various allene monomers efficiently in a fast and living/controlled manner, and the thermodynamic and crystallization properties of the polymers were investigated.
The polyphenolic phytoalexin polydatin inhibits amyloid aggregation of recombinant human prion protein
Authors: Sirohi Preeti Rana , Kumari Anchala , Admane Nikita , Somvanshi Pallavi , Grover Abhinav
Published: July 2021

Polydatin is found to be a pharmacologically-significant scaffold that can bind to the rPrPresrepertoire and inhibit its conversion to the highly infectious and neurotoxic PrPSc-like form, thus acting like a promising anti-prion drug lead.
Computer vision vs. spectrofluorometer-assisted detection of common nitro-explosive components with bola-type PAH-based chemosensors
Authors: Kovalev Igor S. , Sadieva Leila K. , Taniya Olga S. , Yurk Victoria M. , Minin Artem S. , Santra Sougata , Zyryanov Grigory V. , Charushin Valery N. , Chupakhin Oleg N. , Tsurkan Mikhail V.
Published: July 2021

Simplified computer vision-assisted algorithm for the excimer fluorescence "turn-off" detection of nitro-analytes in aqueous media is described.
Ecological and cleaner process for dyeing bicomponent polyester filaments (PET/PTT) using ecological carriers: analysis of dyeing performance
Authors: Souissi Marwa , Khiari Ramzi , Zaag Mounir , Meksi Nizar , Dhaouadi Hatem
Published: July 2021

Ecological carriers are used to improve the dyeing process of bicomponent filaments. Dyeing performances of ecological carriers are compared to conventional ones. Ecofriendly carriers constitute a good solution to replace the toxic ones.
One- and two-electron reduction of triarylborane-based helical donor–acceptor compounds
Authors: Jia Xiangqing , Nitsch Jörn , Wu Zhu , Friedrich Alexandra , Krebs Johannes , Krummenacher Ivo , Fantuzzi Felipe , Braunschweig Holger , Moos Michael , Lambert Christoph , Engels Bernd , Marder Todd B.
Published: July 2021

Stepwise chemical reduction of D–π–A triarylborane-based helicenes gives the corresponding monoanions and dianions with delocalized unpaired electrons. The structures were confirmed by single crystal X-ray diffraction.
Supramolecular chemistry in lipid bilayer membranes
Authors: Bickerton Laura E. , Johnson Toby G. , Kerckhoffs Aidan , Langton Matthew J.
Published: July 2021

This perspective provides an overview of the current state of the art in supramolecular chemistry in lipid bilayer membranes, including receptors, signal transducers, catalysts and transporters, and highlights prospects for the future.
Cluster and conquer: the morphodynamics of invasion of a compliant substrate by active rods
Authors: Imaran Mohammad , Inamdar Mandar M. , Prabhakar Ranganathan , Chelakkot Raghunath
Published: July 2021

Active rod-shaped cells such as bacteria colonize soft plastic materials by forming furrow networks. Rafts and trains of advancing rods enhance the speed of colonization. This enhancement and the furrow network morphology depend strongly on substrate stiffness.
Applications of MAX phases and MXenes as catalysts
Authors: Chirica Iuliana M. , Mirea Anca G. , Neaţu Ştefan , Florea Mihaela , Barsoum Michel W. , Neaţu Florentina
Published: July 2021

This review highlights the recent progress in designing MAX phases and MXenes as materials for heterogeneous, non-electrocatalytic, catalytic applications.
Control of the quality and homogeneity of halide perovskites by mixed-chloride additives upon the film formation process
Authors: Zheng Daming , Pauporté Thierry
Published: July 2021

The roles of mixed ammonium chloride and potassium chloride additives on the growth of Cs0.1FA0.9PbI3 perovskite film are investigated along with the surface treatment by an n-propylammonium iodide solution which produces an interfacial buffer layer.
Urate oxidase loaded in PCN-222(Fe) with peroxidase-like activity for colorimetric detection of uric acid
Authors: Liang Xiao , Chen Yingxuan , Wen Kai , Han Haobo , Li Quanshun
Published: July 2021

A simple uric acid detection method is successfully developed through the integration of urate oxidase (UOx) and PCN-222(Fe) with peroxidase-like activity.
Enhanced emission under proton stimuli based on a phenanthroimidazole derivative by switching the excited state type from the CT to the LE state
Authors: Zhang Ying , Zhang Kai-Li , Liu Jun , Wang Jun-Hao , Feng Yao-Qin , Deng Peng-Jun , Tian Xinxin , Han Gaoyi , Li Dan
Published: July 2021

We report a vertical D–A molecule showing rare off–on TFA-fuming stimuli responsiveness via changing the excited state from the charge transfer (CT) state to the localized excited (LE) state.
First-principles prediction of polar half-metallicity and out-of-plane piezoelectricity in two-dimensional quintuple layered cobalt selenide
Authors: Tang Cheng , Zhang Lei , Jiao Yalong , Zhang Chunmei , Sanvito Stefano , Du Aijun
Published: July 2021

Two dimensional Co2Se3 nanosheet simultaneously possesses out-of-plane electric polarization, ferromagnetism, half-metallic transportation and piezoelectricity, rendering it a promising candidate for advanced multiferroic applications.
Synergistic promotion of photoelectrochemical water splitting efficiency of TiO2 nanorod arrays by doping and surface modification
Authors: Liang Zhao , Chen Ding , Xu Shang , Fang Zhi , Wang Lin , Yang Weiyou , Hou Huilin
Published: July 2021

In the present work, we employed N-doping as well as surface modification with plasmonic Au nanoparticles (NPs) for synergistic promotion of PEC efficiency of TiO2 nanorod arrays.
Cancer stem cell phosphatases
Authors: Momeny Majid , Arsiola Tiina , Westermarck Jukka
Published: July 2021

Cancer stem cells (CSCs) are involved in the initiation and progression of human malignancies by enabling cancer tissue self-renewal capacity and constituting the therapy-resistant population of tumor cells. However, despite the exhausting characterization of CSC genetics, epigenetics, and kinase signaling, eradication of CSCs remains an unattainable goal in most human malignancies. While phosphatases contribute equally with kinases to cellular phosphoregulation, our understanding of phosphatases in CSCs lags severely behind our knowledge about other CSC signaling mechanisms. Many cancer-relevant phosphatases have recently become druggable, indicating that further understanding of the CSC phosphatases might provide novel therapeutic opportunities. This review summarizes the current knowledge about fundamental, but yet poorly understood involvement of phosphatases in the regulation of major CSC signaling pathways. We also review the functional roles of phosphatases in CSC self-renewal, cancer progression, and therapy resistance; focusing particularly on hematological cancers and glioblastoma. We further discuss the small molecule targeting of CSC phosphatases and their therapeutic potential in cancer combination therapies.
Prodrug of ICRF-193 provides promising protective effects against chronic anthracycline cardiotoxicity in a rabbit modelin vivo
Authors: Kollárová-Brázdová Petra , Lenčová-Popelová Olga , Karabanovich Galina , Kocúrová-Lengvarská Júlia , Kubeš Jan , Váňová Nela , Mazurová Yvona , Adamcová Michaela , Jirkovská Anna , Holečková Magdalena , Šimůnek Tomáš , Štěrbová-Kovaříková Petra , Roh Jaroslav , Štěrba Martin
Published: July 2021

The anthracycline (ANT) anticancer drugs such as doxorubicin or daunorubicin (DAU) can cause serious myocardial injury and chronic cardiac dysfunction in cancer survivors. A bisdioxopiperazine agent dexrazoxane (DEX) has been developed as a cardioprotective drug to prevent these adverse events, but it is uncertain whether it is the best representative of the class. The present study used a rabbit model of chronic ANT cardiotoxicity to examine another bisdioxopiperazine compound called GK-667 (meso-(butane-2,3-diylbis(2,6-dioxopiperazine-4,1-diyl))bis(methylene)-bis(2-aminoacetate) hydrochloride), a water-soluble prodrug of ICRF-193 (meso-4,4′-(butan-2,3-diyl)bis(piperazine-2,6-dione)), as a potential cardioprotectant. The cardiotoxicity was induced by DAU (3 mg/kg, intravenously, weekly, 10 weeks), and GK-667 (1 or 5 mg/kg, intravenously) was administered before each DAU dose. The treatment with GK-667 was well tolerated and provided full protection against DAU-induced mortality and left ventricular (LV) dysfunction (determined by echocardiography and LV catheterization). Markers of cardiac damage/dysfunction revealed minor cardiac damage in the group co-treated with GK-667 in the lower dose, whereas almost full protection was achieved with the higher dose. This was associated with similar prevention of DAU-induced dysregulation of redox and calcium homeostasis proteins. GK-667 dose-dependently prevented tumor suppressor p53 (p53)-mediated DNA damage response in the LV myocardium not only in the chronic experiment but also after single DAU administration. These effects appear essential for cardioprotection, presumably because of the topoisomerase IIβ (TOP2B) inhibition provided by its active metabolite ICRF-193. In addition, GK-667 administration did not alter the plasma pharmacokinetics of DAU and its main metabolite daunorubicinol (DAUol) in rabbits in vivo. Hence, GK-667 merits further investigation as a promising drug candidate for cardioprotection against chronic ANT cardiotoxicity.
Bistatic 3D SAR for wall parameter extraction in cluttered environments
Authors: Elgy James , Andre Daniel , Finnis Mark
Published: July 2021

Through‐wall radar is an emergent technology rooted in urban surveillance, a key component being synthetic aperture radar (SAR). Accurate through‐wall SAR relies on knowledge of the refractive index and thickness of any obscuring walls. Such information is rarely known beforehand and is subject to change on a sample‐by‐sample basis. It is therefore necessary to obtain the material properties in conjunction with any SAR measurement. In this letter, a remote data‐driven asymmetric bistatic SAR approach is taken by means of matching the range to the direct back face reflection with an explicit geometry‐based model. The proposed method relies on an accurate knowledge of the bistatic measurement geometry. Using the bright reflection from the front face of the wall, a method for refining an estimate of the bistatic measurement geometry is proposed. This approach is extended to three‐dimensions to improve usability in heavily cluttered environments. This method is empirically validated using three‐dimensional SAR measurements of both a wall‐only, and a heavily cluttered scene. The method is shown to accurately extract both the refractive index and thickness of a concrete wall, with both measurements in agreement with each other and an independent validation measurement.
Modelling of a direct‐driven electromechanical actuation system based on the Lagrange–Maxwell equation
Authors: Long Yun , Du Jinhua , Yang Kun , Yuan Shangbin
Published: July 2021

This study proposes an integrated non‐linear modelling method for an electromechanical actuation system directly driven by the switched reluctance motor (SDEMA). The mathematical model of the SDEMA system is established by energy analysis and calculation according to the proposed method, which omits the complex analysis of force or torque transmission in the cascade modelling method. By using the Lagrange–Maxwell equation and establishing the energy models of non‐linear factors that include the friction, backlash, and flexibility, both the electromechanical coupling effects and the non‐linear factors of the SDEMA system are considered simultaneously in the proposed method. To verify the feasibility and effectiveness of the proposed method, three modelling methods of the SDEMA system are comparatively studied through the simulations and experiments. The results of the simulations and experiments indicate that the proposed integrative non‐linear model can reflect the dynamic performance of the SDEMA system more accurately.
Option‐based portfolio risk hedging strategy for gas generator based on mean‐variance utility model
Authors: Lai Shuying , Qiu Jing , Tao Yuechuan
Published: July 2021

Natural gas generators are promising devices for reducing greenhouse gas emissions. However, gas generators encounter difficulties in the bid‐to‐sell process based on a relatively high levelised cost of energy for power generation. Therefore, a novel risk hedging strategy is developed based on the mean‐variance portfolio theory to reduce the operational risks of gas generators and enhance their profits. Three types of options are utilised and combined to form a portfolio of financial hedges: the short put option, long put option, and short call option. Two types of energy storage devices are used to facilitate the risk hedging process, namely power‐to‐gas and battery devices. Simulation results demonstrate that the proposed risk hedging model can ensure higher profits for gas generators with reduced risk compared to the traditional risk hedging model and a model using only one type of option. Additionally, the varied risk preferences of gas generators lead to varied portfolio combinations. The more risk averse a gas generator, the more likely the long‐put option will be utilised. In contrast, the less risk averse a gas generator, the more likely that short calls will be utilised.
Compensation of negative sequence for a novel AC integrated power supply system of urban rail transit
Authors: Wang Hui , Liu Wei , Li Qunzhan , Wu Bo , Liu Tongtong
Published: July 2021

With the large‐scale increasing demand for passenger transportation, the alternating current (AC) 25 kV traction power supply system (TPSS) of electrified railway is introduced into the construction of urban rail transit in China instead of the direct current (DC) TPSS. In order to suppress the negative sequence current and cancel the neutral section at the exit of traction substation of the AC TPSS, a novel AC integrated power supply system (IPSS) of the urban rail transit based on single‐phase static var generator (SVG) is proposed, which the capacity of SVGs can be further reduced. The topology of the novel AC IPSS is introduced. By defining the constraint factors of negative sequence current and reactive power compensated, the comprehensive compensation model of negative sequence current and reactive power of the novel system is established based on the corresponding standards, which the full compensation and satisfactory compensation can be achieved. The method of determining the compensation scheme and the control strategy are proposed. Taking the actual data as an example, the effectiveness of the compensation scheme is proved. In addition, the correctness of the control strategy proposed is proved by simulation and experiment.
Aggregate dynamic modelling and optimal control in cellular electric energy systems
Authors: Hinners Holm , Contreras Sergio F. , Myrzik Johanna
Published: July 2021

The large number of distributed generators, storages, and other devices which might be connected to the distribution grid pose significant modelling and control questions. It is computationally unattractive and sometimes infeasible to model and control all these devices individually; some method of aggregating them both for modelling and for control is appealing so that they can be represented collectively. It would also be preferable to limit the complexity of the controlled devices' dynamic behavior for easy integration with higher‐level (i.e., higher‐authority) controllers in the cascade. This paper describes a method combining these control goals based on geometric flexibility regions, constrained optimization, and transfer function considerations to enforce approximated first‐order transfer function behaviour at the bus. Time‐domain simulations are used for validation and demonstration.
Into the storm: diving into the winds of the ultra-hot Jupiter WASP-76 b with HARPS and ESPRESSO
Authors: Seidel J. V. , Ehrenreich D. , Allart R. , Hoeijmakers H. J. , Lovis C. , Bourrier V. , Pino L. , Wyttenbach A. , Adibekyan V. , Alibert Y. , Borsa F. , Casasayas-Barris N. , Cristiani S. , Demangeon O. D. S. , Di Marcantonio P. , Figueira P. , González Hernández J. I. , Lillo-Box J. , Martins C. J. A. P. , Mehner A. , Molaro P. , Nunes N. J. , Palle E. , Pepe F. , Santos N. C. , Sousa S. G. , Sozzetti A. , Tabernero H. M. , Zapatero Osorio M. R.
Published: July 2021

Context. Despite swift progress in the characterisation of exoplanet atmospheres in composition and structure, the study of atmospheric dynamics has not progressed at the same speed. While theoretical models have been developed to describe the lower layers of the atmosphere, and independently, the exosphere, little is known about the intermediate layers up to the thermosphere.

Aims. We aim to provide a clearer picture of atmospheric dynamics for the class of ultra-hot Jupiters, which are highly irradiated gas giants, based on the example of WASP-76 b.

Methods. We jointly analysed two datasets that were obtained with the HARPS and ESPRESSO spectrographs to interpret the resolved planetary sodium doublet. We then applied the MERC code, which retrieves wind patterns, speeds, and temperature profiles on the line shape of the sodium doublet. An updated version of MERC, with added planetary rotation, also provides the possibility of modelling the latitude dependence of the wind patterns.

Results. We retrieve the highest Bayesian evidence for an isothermal atmosphere, interpreted as a mean temperature of 3389 ± 227 K, a uniform day- to nightside wind of 5.5−2.0+1.4 km s−1 in the lower atmosphere with a vertical wind in the upper atmosphere of 22.7−4.1+4.9 km s−1, switching atmospheric wind patterns at 10−3 bar above the reference surface pressure (10 bar).

Conclusions. Our results for WASP-76 b are compatible with previous studies of the lower atmospheric dynamics of WASP-76 b and other ultra-hot Jupiters. They highlight the need for vertical winds in the intermediate atmosphere above the layers probed by global circulation model studies to explain the line broadening of the sodium doublet in this planet. This work demonstrates the capability of exploiting the resolved spectral line shapes to observationally constrain possible wind patterns in exoplanet atmospheres. This is an invaluable input to more sophisticated 3D atmospheric models in the future.
Road and environment
Authors: Akkerman Gennady , Akkerman Sergey , Kolos Alexey , Kapruschenko Nikolay
Published: July 2021

A railway at all stages of its life cycle (design, construction, operation) interacts with the environment. The environment can be divided into two components, which, depending on the geographical location of the area and its economic development, are characterized by their regional factors. Natural: climate, relief, geology, hydrology, etc. Economic: the development of the area, the density of population and transport networks, industry, etc. The environment affects the choice of the main technical parameters of the railway, design characteristics, methods of construction and operation, and therefore, construction and operating costs. For the analysis of regional factors, a conditional parameter is adopted, the value of which changes in the same direction as the regional parameters. The regression equation between these parameters and the construction cost of 1 km of railway in the considered areas was revealed.
Situational analysis of the problem of assessing the effectiveness of cluster development of the territory as an aspect of the implementation of its sustainable development
Authors: Lyamzin Oleg
Published: July 2021

The development of territorial economic clusters is one of the important conditions for the growth of the competitiveness of economy, for the intensification of public-private partnership instruments and, ultimately, is a significant aspect of ensuring the sustainable development of territories [1,2,3,4]. It should be noted that the sustainability of such development is determined, first of all, by the establishment of close integration links both in terms of resources and products generated by the cluster participants. This leads to their joint interest in the overall end result of the cluster, cross-interest in the efficiency of the participants, insurance of the risks of each of them, and a number of other useful economic and social effects [5,6,7]. At the moment, the cluster approach to the intensification of development has taken a prominent place in the relevant concepts and strategies of a number of Russian regions and their municipalities. Today, it can be argued that a set of mechanisms has been formed at the state and regional levels, allowing, for example, to provide flexible financing for measures for the development of clusters [8,9]. Nevertheless, the situation is paradoxical when, in the presence of tools, the conceptual and methodological-instrumental part of the solution to the problem of assessing the effectiveness of cluster activities has not yet been sufficiently reflected and developed. This article examines this problem and identifies approaches to overcoming it.
Agglomeration as a mechanism for ensuring sustainable and balanced development of territories
Authors: Antipin Ivan
Published: July 2021

The article is devoted to the study of the development of agglomeration processes in the subject of the Russian Federation. The research methodology is based on the theoretical principles of strategic management, regional, municipal and spatial economics. This study of agglomeration processes in a subject of the Russian Federation is based on a comprehensive analysis of legislative documents, statistical reporting data, texts of strategies for the socio-economic development of municipalities by using a combination of methods: logical, dialectical, and also causal. The theoretical foundations of the relevance of the formation and development of agglomerations are analyzed. The results of the study of agglomeration processes in the Sverdlovsk Oblast are presented; conclusions are drawn about the prevailing trends in socio-economic and spatial development. The conclusion is made about the need for competent, controlled development of agglomerations in order to ensure sustainable and balanced economic and spatial development of the region. The article is aimed at scientists-researchers, practitioners, including state and municipal officials involved in managing the development of territories and other interested parties.
Organizational and managerial aspects of tourist destinations branding: partnership management in the development and implementation of activities
Authors: Grinenko Svetlana Viktorovna , Romanova Galina Maksimovna , Romanov Maksim Sergeevich , Serdyukova Nadezhda Konstantinovna
Published: July 2021

The tourist destinations develop with the participation of a significant number of stakeholders, whose interests often do not coincide, and sometimes completely differently directed, which determines the multifactorial nature of the relationship in the scope of the set goals achieving. On the one hand, this is the development of tourism, in which the business community is interested, on the other hand, the interests of the territory administration, which interests are of a dual nature. Coordination of the interests of all interested parties - the administration, the population of the territorial entity, the business community and tourists becomes a priority in this situation. The solution to this priority task through partnership management technologies is proposed in this research. The research is based on the use of a systematic approach and technologies of management analysis and modelling. The proposed conclusion, algorithm, model can be used in the implementation of territories branding, in the formation and implementation of the tourist destination development, in the regional policy formulation in the tourism development and the local self-government development.
Improving approaches to assessing the recreational potential of land
Authors: Ushakova Elena O. , Avrunev Evgeny I.
Published: July 2021

Land market transformation and shift of development directions in the Russian Federation and its regions require to revise formed spatial planning scheme, and as a consequence, land transfer from one category to the other, parcelling out of land for various types of recreational use and determinate of investment attractiveness of land for infrastructure recreational objects building. Contemporary territory administration should base on rational use of land nature potential as significant resource of the economics of sustainability. This type of economics can show such stable indicators as the population and the consumption level and its scale doesn’t exceed ecosystem bearing capacity. The article considers the main factors which influence the level of land recreational potential, approach to the assessing the land recreational potential for regional and industry planning and revealing of investment attractive land for recreation and tourism as the perspective direction of sustainable development. The authors revealed attractive areas that can be use more effectively for land recreational potential bases on studying of the Novosibirsk region land fund and growing of population demand for recreation and health recovery in this region as the permanent residence which changed due to the COVID-19 pandemic and high risks of travel to other countries.
Metallurgical companies’ environmental liabilities: a study of disclosure in reporting
Authors: Amanzholova Bibigul , Zhukova Tatyana , Ovchinnikova Natalia , Fribus Natalia , Karakchieva Viktoria
Published: July 2021

The article seeks to examine and diagnose the current practices of forming financial and non-financial reporting followed by Russian metallurgical companies with regards to their environmental liabilities. The authors applied quantitative and qualitative methods of information analysis, as well as a morphological approach to generalizing the research results. The research has shown varying degrees of openness of metallurgical companies, which allowed the authors to formulate prospects for further research in this area.
The method of modified RFM-analysis as a tool to ensure economic sustainability
Authors: Shchekoldin Vladislav , Lobach Oleg , Mokrousov Konstantin
Published: July 2021

In the process of development of society, the problem of sustainable development has always been relevant for any subject of the economy. It affects areas such as social progress, economic development and environmental responsibility. In addition, sustainable development is directly related to the macro and micro level of the economy of any country. In this regard, it is necessary to analyze the current situation to meet this need. The article presents the MRFM-analysis method. It includes segmentation of customers who have made at least one purchase. This approach is based on classic RFM-analysis. According to the method, the segmentation of Zenit LLC clients for 2019 and 2020 was carried out, the clusters were characterized and recommendations were given for further work with each cluster.
Social disclosures in Russian corporate reporting: successes, failures, directions of development
Authors: Efimova Olga , Rozhnova Olga
Published: July 2021

The article examines issues relating to disclosures of social aspects in companies’ reports. The conducted study has analyzed financial and corporate reports (integrated, on social responsibility, on sustainable development) of leading Russian metallurgical companies, which consider social impacts as the most significant. The practical part of the research is based on analysis of 42 financial and 37 non-financial reports (including 23 SDR, 12 IR and 2 CSR) of Russian metallurgical companies over 2017-2019 period. In addition, we analyzed the interim financial statements of these companies for 2020. The study of social disclosures was structured into two types of reporting - financial and non-financial. Based on conducted statistical and qualitative analyses, the study offers recommendations on improving logical alignment and quality of disclosures on the social-related aspects. Suggested recommendations aim on increasing validity of investment decisions and making financial market more transparent.
Methods of marketing analysis at all stages of the product life cycle
Authors: Boronenkova Svetlana , Chepulyanis Anton , Nikulionok Svetlana
Published: July 2021

The paper discusses the essence, and information and methodological support of marketing analysis. We present a method of marketing analysis in accordance with the stages of the product life cycle. Practical application of the marketing analysis methodology using the methods of strategic analysis of matrix and situational modeling is provided.
Creating regional infrastructure in the special economic zones of the Russian Federation to address the challenges of the Sustainable Development Goals
Authors: Knyazeva Elena , Zheriborov Denis
Published: July 2021

Water resources are an integral part of energy, industry, food and human life. Water efficiency is given a special place in the area of achieving the Sustainable Development Goals (SDGs) promoted by the United Nations (UN). Water is used everywhere in everyday life and in the manufacture of products, which leads to the depletion of the water potential of a country or an entire continent. Currently, companies are actively introducing new standards for water use, keeping records of water consumption, applying innovative technologies to provide water desalination and wastewater treatment. There is a shortage of drinking water in the world, especially in overpopulated countries and the southern regions of the planet. No state can solve water use issues on its own. Currently, countries are focusing on developing technologies for desalination and wastewater treatment plants. These industries are science-intensive, innovative and require raw materials, financial resources and policy favors from the states. On the territory of the Sverdlovsk region of the Russian Federation, all known types of common minerals were found, and a special economic zone the “Titanium Valley” also operates on this territory.
Restaurant consumer satisfaction research as a basis for ensuring rational consumption patterns
Authors: Solosichenko Tatyana , Goncharova Nadezhda , Merzlyakova Natalia
Published: July 2021

The article is devoted to the study of the degree of satisfaction of consumers of a public catering enterprise as the basis for ensuring rational consumption patterns at the present stage of economic sustainability development and the most important criterion of the company’s performance in order to obtain long-term profit. Customer satisfaction research is one of the main directions in marketing. The provision of rational consumption patterns, according to the authors, in line with the assessment of consumer satisfaction is influenced by many factors such as the environment, consumer behavior patterns, the quality of food and service, the atmosphere, and the company’s image. The main methods we use in assessing satisfaction are SERVQUAL, NPS, and CSI. The CSI index assesses the level of customer satisfaction immediately after interacting with the company. It is based on identifying product properties that are important to the consumer. NPS is one of the best tools for determining the effectiveness of a company in determining the degree of customer loyalty. The concept of “SERVQUAL” reflects in detail the peculiarities of customer perception of service services, allows them to come to an understanding of the standard that will be most in demand among customers.To describe the “Customer Satisfaction” process, the authors used a process passport, which contains the following elements: process name, process definition, process goal, process inputs / outputs, process consumers, process resources, process performance indicators and their criteria, methods of measuring indicators.From the analysis of CSI data obtained from clients, conclusions are drawn about the most important indicators. In this case, it is the quality of the food, the atmosphere, the level of service. Based on the study, recommendations have been developed aimed at increasing the degree of consumer satisfaction and increasing the competitiveness of the catering enterprise.
Technological aspects of obtaining melanin and powder from buckwheat hull and their use in food technology
Authors: Korpacheva Svetlana , Serasutdinova Kristina , Lomovsky Igor , Chugunova Olga
Published: July 2021

In the paper, technology of melanin and powder from buckwheat (Fagopyrum esculentum) hull obtaining is studied. Buckwheat hull is a by-product of buckwheat grain production and has high antioxidant activity. It is a cheap source for raw material with high content of cellulose and brown melanin pigment. In Russia, buckwheat grain is strategical crop used in child and dietary nutrition. Buckwheat hulls, which production volume is about 22% of the total volume of processed grain, are practically not used. At the same time, buckwheat hull can be regarded as a valuable raw material for obtaining of several biologically active substances and technological food ingredients due to its unique chemical composition. The possibility and prospects of using products of buckwheat hulls processing in the formulation of dessert with functional properties, is described. It was found that the implementation of buckwheat processing by-products into the desserts increases their antioxidant activity, and addition of fine powder increases dietary fiber content in them.
The discipline content design “Fundamentals of Automation and Telemechanics” for the sustainable development of competencies within the framework of educational programs
Authors: Cherezov Grigory , Rusakova Elena , Tselishchev Vladimir
Published: July 2021

The trajectory generation is necessary to achieve sustainable development and the formation of the competencies of a specialist in the field of railway automation and telemechanics and communications. The trajectory is formed through studying the disciplines of the curriculum. The discipline structure is an important factor for the formation of competencies. The article studies the matters related to the discipline content design “Fundamentals of Automation and Telemechanics” for students in the specialty “Train Control Systems” of various specializations. It is shown that despite the fact that the discipline “Fundamentals of Automation and Telemechanics” belongs to the core courses of the educational program, for the sustainable development of the competencies of students of various specializations, it should have a different content. An exemplary discipline content for various specializations is proposed. The formed competences are presented. Along with possible training methods.
Educational strategy in digital environment
Authors: Stikhina Irina
Published: July 2021

The article analyzes educational transformations as viewed by undergraduate students of the 1stand the 4thyear as well as aspects of digital transformation based on the conducted survey. Predicated on general trends and collected data, possible development strategy of education in digital environment is introduced. It is assumed that online courses with integrated materials designed on digital platforms will command a larger part in the curricula. At the same time, as the study shows, the traditional education with face-to-face communication is still important to students. Therefore, the educational strategy should emphasize the blended format – face-to-face learning experience on campus complemented by the distance component in the form of synchronous virtual classes, enriched by asynchronous online electronic courses with e-lectures and interactive tasks for students.