bluuebunny/crossref_metadata_2025 huggingface dataset:
Toward printable solar cells based on PbX colloidal quantum dot inks
Authors: Liu Yang , Shi Guozheng , Liu Zeke , Ma Wanli
Published: October 2020

This review summarizes the advances in solar cells based on PbX CQD inks, including both lab-scale and large-area photovoltaic devices.
Radio-frequency-transmitting hexagonal boron nitride-based anti- and de-icing heating system
Authors: Hwang Hyuntae , Ma Kyung Yeol , Kim Jae Won , Yuk Dohun , Hong Jiwon , Jung Jun Hyuk , Yong Seok-Min , Choi Jaeho , Kim Jin Young , Shin Hyeon Suk
Published: October 2020

The h-BN covered FTO wave patterns on a glass substrate can be used as a radio-frequency-transmitting heating system for de-icing.
On the identification of twinning in body-centred cubic nanoparticles
Authors: Hopper Elizabeth R. , Boukouvala Christina , Johnstone Duncan N. , Biggins John S. , Ringe Emilie
Published: October 2020

This Communication describes diagnostic approaches to identify BCC twinning based on shape as well as electron microscopy and diffraction signatures.
Highly efficient unidirectional forward scattering induced by resonant interference in a metal–dielectric heterodimer
Authors: Sun Song , Wang Dacheng , Feng Zheng , Tan Wei
Published: October 2020

Interparticle resonant interference in the metal–dielectric heterodimer satisfies the first Kerker condition at its resonance peak, yielding highly-efficient unidirectional forward scattering.
High broadband photoconductivity of few-layered MoS2field-effect transistors measured using multi-terminal methods: effects of contact resistance
Authors: Das Priyanka , Nash Jawnaye , Webb Micah , Burns Raelyn , Mapara Varun N. , Ghimire Govinda , Rosenmann Daniel , Divan Ralu , Karaiskaj Denis , McGill Stephen A. , Sumant Anirudha V. , Dai Qilin , Ray Paresh C. , Tawade Bhausaheb , Raghavan Dharmaraj , Karim Alamgir , Pradhan Nihar R.
Published: October 2020

Among layered 2D semiconductors, MoS2 is an excellent candidate for applications in optoelectronics and integrated circuits due to its layer-dependent tunable bandgap, high ON/OFF current ratio in FETs and strong light–matter interaction.
Fusarochromene, a novel tryptophan-derived metabolite from Fusarium sacchari
Authors: Marshall James W. , de Mattos-Shipley Kate M. J. , Ghannam Iman A. Y. , Munawar Asifa , Killen Jonathan C. , Lazarus Colin M. , Cox Russell J. , Willis Christine L. , Simpson Thomas J.
Published: October 2020

Fusarochromene and the fusarochromanone mycotoxins are derived via oxidative cleavage of the aromatic amino acid tryptophan.
Mechanism and application of surface-initiated ATRP in the presence of a Zn0 plate
Authors: Faggion Albers Rebecca , Yan Wenqing , Romio Matteo , Leite Edson R. , Spencer Nicholas D. , Matyjaszewski Krzysztof , Benetti Edmondo M.
Published: October 2020

SI-Zn0-ATRP enables the synthesis of chemically different polymer brushes under full ambient conditions, using just microliter volumes of reaction solutions.
Insights into the chemical and structural evolution of Li-rich layered oxide cathode materials
Authors: Wu Zhi-Liang , Xie Hanjie , Li Yingzhi , Zhang Fangchang , Wang Zhenyu , Zheng Wei , Yang Mingyang , Cao Yulin , Lu Zhouguang
Published: October 2020

Lithium-rich layered oxide cathodes have an advantage of high energy density.
Synthesis and structures of unsymmetrical bull's horn-shaped heptathienoacenes with isomeric location of sulfur atoms
Authors: Zhang Chao , Ma Zhiying , Wang Guangxia , Li Chunli , Wang Hua
Published: October 2020

Controlling and balancing the isomeric location of sulfur atoms in thienoacenes are important strategies to tune the functions of intramolecular π-electronic conjugation and intermolecular interactions.
Synthesis and energetic properties of homocubane based high energy density materials
Authors: Lal Sohan , Chowdhury Arindrajit , Kumbhakarna Neeraj , Nandagopal Sundaramoorthy , Kumar Arvind , Namboothiri Irishi N. N.
Published: October 2020

Novel Homocubane based HED materials with high densities, HOF and density specific impulse are superior to conventional fuels RP1 and HTPB.
A new approach based on isoindole formation reaction for sensitive fluorimetric assay of milnacipran in tablets and biological fluids (plasma/urine)
Authors: Abu-hassan Ahmed A. , Ali Ramadan , Derayea Sayed M.
Published: October 2020

The current study describes a new, sensitive, and economic protocol for milnacipran analysis.
Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation
Authors: Awatani Ayano , Suzuki Masaaki
Published: October 2020

Triply β-dicarbonyl-embedded 1,3,5-triazine derivatives result in formation of circular linkage of resonance-assisted hydrogen bonding interactions, which can be regarded as well-delocalized resonance hybrids.
Structural basis for recognition of bacterial cell wall teichoic acid by pseudo-symmetric SH3b-like repeats of a viral peptidoglycan hydrolase
Authors: Shen Yang , Kalograiaki Ioanna , Prunotto Alessio , Dunne Matthew , Boulos Samy , Taylor Nicholas M. I. , Sumrall Eric T. , Eugster Marcel R. , Martin Rebecca , Julian-Rodero Alicia , Gerber Benjamin , Leiman Petr G. , Menéndez Margarita , Peraro Matteo Dal , Cañada Francisco Javier , Loessner Martin J.
Published: October 2020

Combining genetic, biochemical and computational approaches, we elucidated the molecular mechanisms underlying the recognition ofListeriawall teichoic acid by bacteriophage-encoded SH3b repeats.
“Bottled” spiro-doubly aromatic trinuclear [Pd2Ru]+complexes
Authors: Kulichenko Maksim , Fedik Nikita , Monfredini Anna , Muñoz-Castro Alvaro , Balestri Davide , Boldyrev Alexander I. , Maestri Giovanni
Published: October 2020

Synthesis of a triangular [Pd2Ru]+complex with delocalized metal–metal bonding between non-adjacent elements of the periodic table, double aromaticity and overlap of d-AOs with different angular momentum.
Titanosilicate zeolite precursors for highly efficient oxidation reactions
Authors: Bai Risheng , Navarro M. Teresa , Song Yue , Zhang Tianjun , Zou Yongcun , Feng Zhaochi , Zhang Peng , Corma Avelino , Yu Jihong
Published: October 2020

Titanosilicate zeolite precursors, with open structures of zeolite units and high amounts of catalytically active Ti species, show superior catalytic performance in the oxidative reactions.
In situ fabrication of self-assembled BiOBrxI1−x coated on carbon nanofibers for efficient solar light-driven photocatalytic nitrogen fixation
Authors: Hua Chenghe , Dong Xiaoli , Zheng Nan , Zhang Xinxin , Xue Mang
Published: October 2020

BiOBrxI1−x composite photocatalysts have been successfully deposited on carbon nanofiber (CNF) substrates via two steps.
Facile synthesis of Co2(OH)3Cl/cobalt carbide/reduced graphene oxide composites for enhanced dye-sensitized photocatalytic H2 evolution
Authors: Zhang Weiying , Zou Yanli , Mei Xiang , Li Yuexiang , Peng Shaoqin , Xu Junying
Published: October 2020

A hollow Co2(OH)3Cl/cobalt carbide/reduced graphene oxide composite (CG-350) synthesized without a template at low temperature (350 C) exhibits better dye-sensitized photocatalytic H2 evolution activity than the ones obtained at high temperatures.
Simplifying and accelerating kinetics enabling fast-charge Al batteries
Authors: Mao Minglei , Yu Ze , Lin Zejing , Hu Yong-Sheng , Li Hong , Huang Xuejie , Chen Liquan , Liu Miao , Suo Liumin
Published: October 2020

AlCl2+ coordination with carbonyl groups enables a fast-charge Al battery.
Layered double hydroxides and their derivatives for lithium–sulfur batteries
Authors: Cui Junya , Li Zhenhua , Wang Guirong , Guo Jian , Shao Mingfei
Published: October 2020

LDHs have drawn great attention in Li–S batteries due to their various morphologies and topological transformation characteristics. We highlight recent advances of LDHs used in Li–S batteries and review its challenges in this area.
A robust spring-like lamellar VO/C nanostructure for high-rate and long-life potassium-ion batteries
Authors: Lu Jian , Wang Changlai , Xia Guoliang , Tong Huigang , Yang Yang , Zhu Dequan , Chen Qianwang
Published: October 2020

A unique spring-like lamellar VO/C nanostructure exhibits excellent stability and outstanding rate capability for potassium-ion batteries.
Correction: Aqueous surface gels as low friction interfaces to mitigate implant-associated inflammation
Authors: Chau Allison L. , Rosas Jonah , Degen George D. , Månsson Lisa K. , Chen Jonathan , Valois Eric , Pitenis Angela A.
Published: October 2020

Correction for ‘Aqueous surface gels as low friction interfaces to mitigate implant-associated inflammation’ by Allison L. Chau et al., J. Mater. Chem. B, 2020, 8, 6782–6791, DOI: 10.1039/D0TB00582G.
A robust and multifunctional calcium coordination polymer as a selective fluorescent sensor for acetone and iron (+3) and as a tunable proton conductor
Authors: Wu Zhao-Feng , Fu Zhi-Hua , Velasco Ever , Xing Kai , Wang Hao , Zou Guo-Dong , Huang Xiao-Ying , Li Jing
Published: October 2020

A robust 3D Ca-CP demonstrates selective fluorescence-based sensing of Fe3+and acetone as well as tunable proton conduction.
Auditory fear conditioning alters neural gain in the cochlear nucleus: a wireless neural recording study in freely behaving rats
Authors: Paolini Antonio G. , Morgan Simeon J. , Kim Jee Hyun
Published: October 2020

Anxiety disorders involve distorted perception of the world including increased saliency of stress-associated cues. However, plasticity in the initial sensory regions of the brain following a fearful experience has never been examined. The cochlear nucleus (CN) is the first station in the central auditory system, with heterogeneous collections of neurons that not only project to but also receive projections from cortico-limbic regions, suggesting a potential for experience-dependent plasticity. Using wireless neural recordings in freely behaving rats, we demonstrate for the first time that neural gain in the CN is significantly altered by fear conditioning to auditory sequences. Specifically, the ventral subnuclei significantly increased firing rate to the conditioned tone sequence, while the dorsal subnuclei significantly decreased firing rate during the conditioning session overall. These findings suggest subregion-specific changes in the balance of inhibition and excitation in the CN as a result of conditioning experience. Heart rate was measured as the conditioned response (CR), which showed that while pre-conditioned stimulus (CS) responding did not change across baseline and conditioning sessions, significant changes in heart rate were observed to the tone sequence followed by shock. Heart-rate findings support acquisition of conditioned fear. Taken together, the present study presents first evidence for potential experience-dependent changes in auditory perception that involve novel plasticity within the first site of processing auditory information in the brain.
Decentralised game‐theoretic management for a community‐based transportation system
Authors: Bin Hariz Mohammed , Said Dhaou , Mouftah Hussein T.
Published: October 2020

The transportation system needs innovative schemes and applications to facilitate mobility in the cities that is user‐friendly, easy, enjoyable and convenient according to citizens' constraints. In this study, the authors propose a decentralised architecture‐based game‐theoretic model for a community‐based transportation system. This scheme, which involves multi‐transportation forms, allows the user to be an active prosumer who can travel in the city using public and private forms and also make decisions about the trip cost. The authors propose a decentralised game‐theoretic transportation algorithm to manage passenger needs, public bus interests, car ride‐sharing and bicycle constraints. The simulations prove the effectiveness of the proposed scheme. The effectiveness of the decentralised game‐theoretic transportation model appears more clearly when compared with the multi‐mode double dynamic approach in [1], as it gives much better optimisation results.
The dipper light curve of V715 Persei: is there dust in the magnetosphere?
Authors: Nagel E. , Bouvier J.
Published: October 2020

Context. The dipper optical light curves in young stellar objects are commonly interpreted as partial or total occultation of the stellar radiation by dust surrounding the star.

Aims. In this work, we analyze the amplitude of the optical light curve of V715 Per, located in the young star forming region IC 348. Observations gathered over the years suggest that the light curve can be explained by dust extinction events.

Methods. In our model, the dust is distributed inside the magnetosphere according to the strength of the stellar magnetic field. The dust distribution is modulated by the vertical component of the field whose axis is misaligned with respect to the rotational axis. We include a model for evaporation of the dust reaching the magnetosphere in order to consistently calculate its distribution.

Results. For V715 Per, there is dust in the optically thick warp at the disk truncation radius. We suggest that the optical light curve is explained by extinction caused by dust reaching inside the magnetosphere. The dust distribution is optically thin, and it cannot survive for a long time because of the high temperature and low density. However, as the grains rapidly move towards the stellar surface and the sublimation is not instantaneous, there is a layer of dust covering the magnetosphere responsible for the extinction.

Conclusions. Dust surviving the harsh conditions of the magnetospheric accretion flow may be responsible for some of the dipper light curves.
Earthquake vulnerability mapping in the at-risk Opak Fault, Sengon Village, Central Java, Indonesia
Authors: Mardiatno Djati , Handayani Tiara , Susanto Denni , Faida Lies R.W. , Kusumasari Bevaola , Malawani Mukhamad N.
Published: October 2020

This study aims to perform vulnerability assessment in a detailed scale at villages adjacent to Opak fault, Central Java. The study took place in Sengon Village, Prambanan District, Klaten Regency. Sengon is located near Opak fault zone and experienced tremendous disaster in 2006. The method for vulnerability assessment in earthquake hazard used in this study involves three criteria, i.e. physical, social, and economic with various indicators within. The mapping unit are hamlet units, which more detailed than village unit. The result of physical vulnerability assessment in Sengon village was dominated by a medium level of vulnerability. Sengon village has clustered settlement characteristics and this is a type of rural village in Indonesia. The advantage of clustered settlements is that there is a large evacuation site in this case paddy fields. The socio-economic vulnerability indicates that the majority of Sengon village are informal workers. This will have a big impact if an earthquake occurs because there will be many people lose their income. The total vulnerability assessment shows that all levels of vulnerability are distributed similarly. The advantage of this study is helpful to determine the action for reducing vulnerability especially in the at-risk of earthquake hazard.
Improving normalization method of higher-order neural network in the forecasting of oil production
Authors: Prasetyo Joko , Setiawan Noor Akhmad , Adji Teguh Bharata
Published: October 2020

One of the challenges in the oil industry is to predict well production in the absence of frequent flow measurement. Many researches have been done to develop production forecasting in the petroleum area. One of the machine learning approach utilizing higher-order neural network (HONN) have been introduced in the previous study. In this study, research focus on normalization impact to the HONN model, specifically for univariate time-series dataset. Normalization is key aspect in the pre-processing stage, moreover in neural network model.
Sustaining subsistence culture in Mamar agroforestry management in West Timor, is it possible?
Authors: Ngaji Alfred Umbu Kuala , Baiquni Muhammad , Suryatmojo Hatma , Haryono Eko
Published: October 2020

A subsistence culture which has moral values related to the protection of ancestral territories and the environment, must be maintained in the management of Mamar agroforestry. On the other hand, subsistence culture is often seen as a counter-modernization culture because it is not commercially oriented. This paper aims to provide an overview of the subsistence culture and its relationship to the preservation of Mamar agroforestry and the potential stresses it faces, as well as quantify the opportunities for sustaining a subsistence culture in today’s West Timorese society. The method used is literature study using Google Scholar and other relevant literature. As it is known, the demands of life necessities and lifestyles, global climate change, and government policies are the pressing factors for land conversion, including in Mamar. On the other hand, a culture of subsistence tends to maintain moral values in cultivating land that preserves nature, thereby reducing pressure for Mamar land conversion. The conclusion obtained is that a subsistence culture needs to be maintained and become a locomotive for maintaining the sustainability of development as a whole, by reducing the causes of vulnerability in society. Economic and social interests can be integrated due to compliance with strong social structures.
Impact and economic value of agricultural land conversion in sub-urban of Bantul Regency
Authors: Fandani Hestina , Harini Rika
Published: October 2020

Increasing the number of populations in urban areas results in increasing the need for shelter and food, while the land area is limited. This has led to a conversion of agricultural land to non-agricultural land, especially in sub-urban areas that directly adjacent to urban areas. This study aimed to identify the impact of agricultural land conversion, and also to estimate the economic value of paddy land loss in sub-urban of Bantul Regency. Data were collected through structured interviews, institutional data, and literature reviews. These data were analyzed in a quantitative descriptive. Most of the paddy fields are converted for home and housing, partially used for economic activities that have higher land rent such as shops, boarding houses, and restaurants. The perceived impact is increasing air temperature, air pollution, also reduced employment opportunities and income from agricultural sector. The total economic value of the direct use obtained from the existence of agricultural land in Bantul sub-urban is IDR 96 806 832 ha–1 yr–1. It is includes the value of rice production of IDR 53 934 540 ha–1 yr–1, the value of employment opportunities is IDR 17 126 688 ha–1 yr–1 and the value of agricultural income is IDR 25 745 604 ha–1 yr–1.
Demographic transition and population ageing in Yogyakarta
Authors: Alfana Muhammad Arif Fahrudin , Laudiansyah Rizky , Fauziyanti Navila Ulfi , Sadali Mohammad Isnaini , Ismayuni Novia , Maulana Rivo
Published: October 2020

The aim of this research were to explain the demographic transition and the population ageing in the Special Region of Yogyakarta (DIY). This study used previous demographic and profiles of the elderly data in DIY. These data collected from the Central Bureau of Statistics Indonesia (BPS) and other relevant institutions, and then analyzed by descriptive analysis. The results showed The Special Region of Yogyakarta’s demographic transition is in its final stages. This is due to the population ageing in this region; which indicated by high percentage of elderly population. Population ageing in DIY has been happening since 1990. In 1990, the percentage of the elderly population was 11, 3% and became 14, 37% in 2019.
The correlation analysis between urbanization phenomena and landuse change in Jakarta Special Province
Authors: Putri Ratih Fitria , Abadi Aji Wijaya , Kafafa Utia
Published: October 2020

The population of Jakarta Special Province continues to grow, most significantly after the 1960s, causing an increase of population density. The expanding population has been stimulating the development of the province, reflecting the rising demand of the population including land. Eventually, it influences the urbanization process and affects the dynamic of land utilization in Jakarta. This research is aimed to understand the correlation between urbanization phenomena and landuse change in Jakarta Special Province. The research implements the utilization of statistics, topographic map, and remote sensing data as well. The satellite image (Sentinel-2 Imagery) was used to determine urban area and non urban area which then describes the land urbanization level. During 3 years, Jakarta has experienced landuse change especially in residential area, green open space, and industrial area. In 2017, the urban area covered 76.89 percent of Jakarta’s land and the coverage increased into 78.35 percent in 2019. Land urbanization level raised from 77.16 percent into 78.03 percent which means that roughly 77 percent to 78 percent of land in Jakarta has been urbanized.
Application of geostatistics to complete uranium resources estimation of Rabau Hulu Sector, Kalan, West Kalimantan
Authors: Ciputra Roni , Suharji Suharji , Kamajati Dhatu , Syaeful Heri
Published: October 2020

Kalan is one of the focus areas for uranium exploration in West Borneo that conducted by BATAN. Situated in the central part of Kalan, previous works in Rabau Hulu Sector consisted of surface geology and radiometric anomaly mapping, trenching, drilling, logging, and conventional uranium resource estimation. Nevertheless, the complete resource estimation of the previous work was still using 2D modeling, and the latest one using 3D modeling is a method-application case study in one orebody. To increase the confidence level and completing the uranium resource estimation of all orebodies in this sector, a geostatistical estimation with 3D orebody modeling using SURPAC mine planning software was conducted in this paper. Gamma-ray log data from 32 drill holes were collected and then interpreted to obtain uranium grade-thickness data. Based on the correlation of grade-thickness data according to surface orebody orientation, the orebody 3D modeling was done. It resulted in 26 orebodies with one control system of lithology as the mineralization only taken place in the quartzite unit. This 3D model then used as a constraint for block model with 4x4x2 m block size and 0.25x0.25x0.125 m minimum block size. Block model calculation was performed using ordinary kriging which generated the kriging efficiency attribute for the determination of the resource category. Within 25 meters searching radius, the calculation resulted in 408, 480 tons of ore, while total uranium resource was 268 tons of uranium with 677 ppm average grade. There were 214 tons of uranium (79%) categorized as measured while the other 54 tons of uranium (21%) categorized as indicated.
Geomechanics of overworked mine working support resistance in the laminal massif of soft rocks
Authors: Kovalevska Iryna , Symanovych Hennadii , Jarosz Jacek , Barabash Mykhailo , Husiev Oleksandr
Published: October 2020

The relevant issues of ensuring trouble-free mining operations on the underlying horizons, which are partially or fully overworked are studied in this paper. The problem has been solved using the example of a laminal massif of the Western Donbas soft rocks; complicating factors were taken into account: water-cut, fracturing, and the rheological properties manifestation. The model, proposed for calculation, has been substantiated in view of geomechanics, as well as the finite element method has been chosen to obtain the stress-strain state of the adjacent massif and support. At the first stage, mine observations of the state of mine working planned for overworking have been conducted and analysed. At the second stage, a computational experiment has been conducted in the most difficult areas. The stresses fields have been analysed according to vertical, horizontal and stresses intensity components of the soft rocks laminal massif, as well as their distribution curves for the recommended and basic fastening options. It has been proved that the recommended parameters of the fastening structure provide repair-free mine working maintenance for the entire exploitation period with account of overworking. Recommendations have been developed for mining the seam C6 in M.I. Stashkova Mine, DTEK Pavlohradvuhillia PJSC.
Improvement of the bitumen extraction technology from bituminous sand deposits
Authors: Pedchenko Larysa , Pedchenko Nazar , Kicki Jerzy , Pedchenko Mykhailo
Published: October 2020

Today considerable experience in the development of tar sands is accumulated. However, well-known mining technologies do not cover the entire depth range of natural bitumen deposits. In addition, there are significant energy-intensive technologies and negative environmental impacts. In view of this, the purpose of this work is to improve the method of extracting natural bitumen in site for a deposit interval of 75 – 200 m and to substantiate the basic technological scheme of this method. The proposed method of extracting bitumen from poorly cemented reservoirs in the depth range of 50 – 400 m provides: creation of artificial mine working; the transfer of the rock into the water mixture composition under the action of high pressure jets of a heated mixture of water, a hydrocarbon solvent and a flotation agent; separation from the rock and concentration of bitumen in the production as a result of its heating, dissolution and flotation; selection of depleted bitum slurry from the mine working by gas lift method. The proposed method of extracting bitumen is the transfer of the rock at the site of its occurrence to the suspension condition on the excavation created by the hydraulic production method, separation and concentration of bitumen by dissolving it with a heated hydrocarbon solvent and a flotation agent (hydrocarbon reagents), and extraction in the composition of depleted rock slurry to the surface by the gas lift method. As the preliminary calculations show, the proposed method will allow the efficient extraction of bitumen and highly viscous oil from weakly cemented reservoirs in the depth range of 50 – 400 m. Also, the proposed technology creates the preconditions for the development of oil sands at a depth of 75 – 200 m since there is currently no effective technology for the interval. In addition, it can significantly reduce energy costs, environmental pollution and greenhouse gas emissions.
Durability analysis of underground structures based on various creep models of the enclosing salt rock massif
Authors: Zhuravkov Mikhail , Hvesenya Sergey , Lapatsin Siarhei
Published: October 2020

The results of the durability analysis of a complex underground structure and surrounding multilayered rock massif are presented. The research is conducted based on an applied stress-strain state problem for a salt rock massif in the vicinity of an underground cavity of a large cross-section which is in conjunction with a mine shaft. The main aim of the research is to perform a comparative analysis of various mathematical models of the creep process. The problem is solved using finite element method to achieve this goal. Regularity in the development of deformation processes of the enclosing rock massif is established as a result of the study. According to this regularity, both primary creep and primary-secondary creep models show that the main increase of creep deformations occurs during a short initial time period after which creep strain rate decreases sharply.
Modelling hydraulic mixture movement along the extraction chamber bottom in case of hydraulic washout of the tuff-stone
Authors: Malanchuk Zinovii , Moshynskyi Viktor , Martyniuk Petro , Stets Sergii , Galiyev Daniyar
Published: October 2020

This paper presents the research results of the pulp movement process along the extraction chamber bottom to the suction pipe of the pulp lifting device in case of downhole hydraulic mining the volcanic tuff-stone. The washout process and hydraulically operated transportation of the tuff-stone hydraulic mixture, when forming the extraction chamber, have been studied under various conditions and methods of exposure. As a result, the dominant parameters have been determined influencing the hydrodynamic washout technology as well as tuff-stone hydraulic mixture lifting to the alluviation map. The dependences have been substantiated of the washout process performance and transportation capacity of the hydraulic mixture flow on the determined parameters. To calculate the process of pulp flow-over along the extraction chamber bottom to the intaking hydraulic elevator headwall, the systems of equations have been determined based on the modelling the movement of tuff-stone hydraulic mixture along the extraction chamber bottom during hydraulic washout. The dependences of the contact strength of the tuff-stone samples mined by downhole method on the time spent in water are presented, resulting in determination of the tuff-stone weakening coefficient and the degree of its saturation with water.
Comprehensive assessment of the mined coal quality and mining conditions in the Western Donbas mines
Authors: Malashkevych Dmytro , Poimanov Serhii , Shypunov Serhii , Yerisov Mykola
Published: October 2020

The presented work reveals the problem of worsening the quality of mined coal in the Western Donbas mines. The main indicators of the stope faces performance in the context of the produced thermal coal quality are analyzed. The tendencies have been set of changes in the operational and parent ash content of coal, the number of longwall faces working with out-of-seam dilution and the production output of raw coal in the Western Donbass mines. Using the example of the “Named after Heroiv Kosmosu” mine, the coal-bearing rocks of the mined seams have been analyzed in detail, as well as the operational ash content of the produced coal has been predicted. Within the contoured reserves boundaries of the new longwall faces extraction panels, the following characteristics are analyzed: geological thickness of coal seams mg, height of out-of-seam dilution of side rocks hr; coal cutting resistance Ар; physical and mechanical properties of rocks in the roof and bottom of the seams. Based on the studied mining-and-geological characteristics of the stope faces under consideration, the possibility of using selective mining technology is assessed. Graphs of changes in the predicted operational ash content of mined coal are plotted depending on the possible schemes of the seams mining and the size of out-of-seam dilution of rocks. The research results can be used when planning the selective mining technology aimed at improving the efficiency and environmental friendliness of mining operations.
Evaluation of the probability of miners’ protection while using filtering respirators
Authors: Cheberiachko Serhii , Yavorska Olena , Deriuhin Oleh , Yavorskyi Andrii
Published: October 2020

Objective of the research is to evaluate the probability of deterioration of the protection of miners’ respiratory organs while using filtering respirators in terms of coal mines under the coal mine conditions and to elaborate recommendations for the reduction of possible occupational disease risks. A Markovian process theory has been applied to solve the formulated problem. It has been determined that the probability of deterioration of the protection of a worker wearing a filtering respirator is up to 50%, which is stipulated by the lack of corresponding training as for the correct filtering respirator use, negligence of the physical load and its duration during the respirator selection, and possible mistakes during its operation. Reduction of the occupational disease risks is possible only in terms of the use of high-quality filtering respirator under conditions of its correct selection, maintenance and use by the trained miners with the preliminary checking of its relevance to the coal mine conditions. It has been shown that the development of a respiratory protection programme at an enterprise is the efficient tool to provide a miner with high-quality and appropriate filtering devices for the respiratory protection.
Borehole logging based on ultrasonic measurements
Authors: Tron Vitalii , Haponenko Alena , Haponenko Iryna , Paranyuk Dmytro
Published: October 2020

The coefficient of ultrasound attenuation is noted for sufficient sensitivity to provide high-quality characteristics of rocks. Efficiency of transforming electromagnetic signals into elastic oscillations of the ferromagnetic rock and backward depends on magnetic permeability of the rock, i.e. the content of the ferromagnetic component. The suggested method enables receiving additional data on concentration and structure of the ferromagnetic component distributed in the rock. To use the method one does not need either borehole liquid or any specific devices to introduce elastic oscillations into the rock, this fact facilitating its extensive application.
Research into optimization model for balancing the technological flows at mining enterprises
Authors: Khorolskyi Andrii , Hrinov Volodymyr , Mamaikin Oleksandr , Fomychova Liudmyla
Published: October 2020

The purpose of this paper is to develop new approaches for optimizing the technological flows at coal mines. Based on analysis, the area of the presented approaches application has been outlined for decision-making in mining. The concept is to use graph theory methods and network models for balancing the flows incoming to the mine in the form of resources and the output flows in the form of coal, rock, gas, and water. This improves the overall efficiency of functioning the mining enterprise. A new model is proposed that describes the production activity of the underground mining complex for the delivery of three production components to the surface. These components from the viewpoint of rational resource and environmental management can be considered as factors that may have a negative impact on the level of technological scheme in terms of investing advisability, as well as on the environment. These components are coal, rock, methane gas and mine water. Given their stochastic nature, it is accepted for the mathematical description of the movement processes of coal (С), rock (R), methane gas (G) and water (W) to represent them in the form of flows within some technological system of converters, and including the diversification of mining production. The presented approach can be applied not only at the stage of designing, but also to assess the existing state of the coal mines. Special attention is focused on the development of software for decision-making.
Mathematical analysis and global dynamics for a time-delayed Chronic Myeloid Leukemia model with treatment
Authors: Kherbouche Nawal , Helal Mohamed , Chekroun Abdennasser , Lakmeche Abdelkader
Published: October 2020

In this paper, we investigate a time-delayed model describing the dynamics of the hematopoietic stem cell population with treatment. First, we give some property results of the solutions. Second, we analyze the asymptotic behavior of the model, and study the local asymptotic stability of each equilibrium: trivial and positive ones. Next, a necessary and sufficient condition is given for the trivial steady state to be globally asymptotically stable. Moreover, the uniform persistence is obtained in the case of instability. Finally, we prove that this system can exhibits a periodic solutions around the positive equilibrium through a Hopf bifurcation.
Aktuelle ESPEN-Leitlinie Klinische Ernährung und Hydration in der Geriatrie
Authors: Volkert Dorothee
Published: October 2020

Malnutrition und Dehydration zählen zu den häufigsten geriatrischen Syndromen mit weitreichenden klinischen Folgen. Zudem gewinnt die Problematik der Adipositas auch im hohen Alter zunehmend an Bedeutung. Dieser Beitrag präsentiert zentrale evidenzbasierte Empfehlungen zur Prävention und Therapie der genannten Ernährungsprobleme aus der aktuellen europäischen ESPEN-Leitlinie.
Transition Metal Chelation Augments the Half-life of Secnidazole: Molecular Docking and Fluorescence Spectroscopic Approaches
Authors: Hossain Md. Jamal , Rashid Mohammad A. , Sultan Md. Zakir
Published: October 2020

This current research aimed to establish the most required pharmacodynamics parameters of two transition metal complexes of an antimicrobial drug secnidazole. The spectroscopic fluorescence quenching strategy was outlined to evaluate the binding mechanism and binding affinity of nickel (II) and chromium (III) complexes of secnidazole with bovine serum albumin (BSA). The conformational modifications and the interacting patterns of the protein due to the interaction of the parent compound of the metal complexes have been investigated by molecular docking approach. The ligand-protein interactions were confirmed by the spectral quelling of the serum protein’s intensity in the presence of metal chelate of secnidazole. The quenching mechanism was an endothermic dynamic process. The calculated thermodynamic factors delineated van der Waals interactions mainly influenced the spontaneous process. The UV-fluorescence curves were studied to establish the energy transformation profile according to the Förster resonance energy transfer (FRET) theory. The double-logarithm plot exhibited the binding number that ensured the drug-protein interaction was at a 1:1 ratio. The compared binding constants dictated that both metal chelates gained higher binding affinity, longer half-life, and achieved the capacity to show the pharmacological effects by a lower dose than the parent molecule.
Antecubital Vein Cannula Position Impacts Assessment of Forearm Glucose Uptake During an Oral Glucose Challenge in Healthy Volunteers
Authors: Bétry Cécile , Nixon Aline V. , Greenhaff Paul L. , Simpson Elizabeth J.
Published: October 2020

Introduction Skeletal muscle is a major site for whole-body glucose disposal, and determination of skeletal muscle glucose uptake is an important metabolic measurement, particularly in research focussed on interventions that impact muscle insulin sensitivity. Calculating arterial-venous difference in blood glucose can be used as an indirect measure for assessing glucose uptake. However, the possibility of multiple tissues contributing to the composition of venous blood, and the differential in glucose uptake kinetics between tissue types, suggests that sampling from different vein sites could influence the estimation of glucose uptake. This study aimed to determine the impact of venous cannula position on calculated forearm glucose uptake following an oral glucose challenge in resting and post-exercise states.

Materials and Methods In 9 young, lean, males, the impact of sampling blood from two antecubital vein positions; the perforating vein (‘perforating’ visit) and, at the bifurcation of superficial and perforating veins (‘bifurcation’ visit), was assessed. Brachial artery blood flow and arterialised-venous and venous blood glucose concentrations were measured in 3 physiological states; resting-fasted, resting-fed, and fed following intermittent forearm muscle contraction (fed-exercise).

Results Following glucose ingestion, forearm glucose uptake area under the curve was greater for the ‘perforating’ than for the ‘bifurcation’ visit in the resting-fed (5.92±1.56 vs. 3.69±1.35 mmol/60 min, P<0.01) and fed-exercise (17.38±7.73 vs. 11.40±7.31 mmol/75 min, P<0.05) states.

Discussion Antecubital vein cannula position impacts calculated postprandial forearm glucose uptake. These findings have implications for longitudinal intervention studies where serial determination of forearm glucose uptake is required.
Impact of entry–exit loss on the measurement of flow resistivity of porous materials
Authors: Sachan Swati , Kumar Sanjeet , Krishnan Shankar , Ramamoorthy Sripriya
Published: October 2020

This study experimentally investigates the impact of low pore density and thickness on the flow resistivity, hence permeability, of periodic open porous materials. An experimental setup is developed to measure the flow resistivity of porous samples adhering to the guidelines provided by the International Standards Organization 9053 and American Society for Testing and Materials C522 standards. The flow resistivity of three different porous microlattices is considered. Two of the three lattices are obtained from a monospherical void subtraction method, while the third is the octet-truss lattice. The monospherical void geometries are body-centered-cubic and A15 lattices. The pore density, measured in terms of pores-per-inch (PPI), was varied from 1 PPI to 12 PPI for all three microlattices considered. At low PPIs, the pore sizes are on the order of macroscale thickness. Hence, the volume-averaging or homogenized equivalent fluid model may not be valid. The thickness variation for a fixed PPI is also considered over limits where traditional volume-averaging methods break down. It is shown that at extremely low PPIs and thicknesses, entrance and exit losses become dominant, and the flow resistivity measured as per standards ceases to be a constant with PPI or thickness. Furthermore, existing two-dimensional modeling approaches for losses due to flow in pipes are adopted to predict the entry and exit pressure loss coefficients for the considered microlattices with appropriate modifications.
A self-consistent field formulation of excited state mean field theory
Authors: Hardikar Tarini S. , Neuscamman Eric
Published: October 2020

We show that, as in Hartree–Fock theory, the orbitals for excited state mean field theory can be optimized via a self-consistent one-electron equation in which electron–electron repulsion is accounted for through mean field operators. In addition to showing that this excited state ansatz is sufficiently close to a mean field product state to admit a one-electron formulation, this approach brings the orbital optimization speed to within roughly a factor of two of ground state mean field theory. The approach parallels Hartree Fock theory in multiple ways, including the presence of a commutator condition, a one-electron mean-field working equation, and acceleration via direct inversion in the iterative subspace. When combined with a configuration interaction singles Davidson solver for the excitation coefficients, the self-consistent field formulation dramatically reduces the cost of the theory compared to previous approaches based on quasi-Newton descent.
Hybrid wind power forecasting based on extreme learning machine and improved TLBO algorithm
Authors: Xue Wenping , Wang Chenmeng , Tian Jing , Li Kangji
Published: October 2020

Wind power forecasting (WPF) plays an important role in the planning, efficient operation, and security maintenance of power systems. A large number of hybrid models have been applied to WPF in the past two decades. Due to the rapid development of swarm intelligence algorithms, there is great potential for forecasting performance improvements by combining them with basic data-driven models for parameter optimization. In this study, a hybrid WPF method is proposed, which combines an extreme learning machine (ELM) and improved teaching-learning-based optimization (iTLBO), and incorporates a recursive feature elimination (RFE) method for feature selection. For WPF, appropriate feature combination is recognized from original input data using the RFE method, which helps facilitate understanding of the data pattern and defy the curse of dimensionality. To enhance the convergence speed and learning ability of the basic TLBO, four improvements are performed, and the obtained iTLBO algorithm is applied to optimize the parameters of the ELM model. Case study data came from a wind farm in Yunnan, China. The ERMSE, EMAE, and MAPE values of the proposed hybrid method are all lower than those of the comparison methods. The results demonstrate the superior forecasting performance that makes the hybrid method more applicable in real WPF applications.
Predicting oxidation and spin states by high-dimensional neural networks: Applications to lithium manganese oxide spinels
Authors: Eckhoff Marco , Lausch Knut Nikolas , Blöchl Peter E. , Behler Jörg
Published: October 2020

Lithium ion batteries often contain transition metal oxides such as LixMn2O4 (0 ≤ x ≤ 2). Depending on the Li content, different ratios of MnIII to MnIV ions are present. In combination with electron hopping, the Jahn–Teller distortions of the MnIIIO6 octahedra can give rise to complex phenomena such as structural transitions and conductance. While for small model systems oxidation and spin states can be determined using density functional theory (DFT), the investigation of dynamical phenomena by DFT is too demanding. Previously, we have shown that a high-dimensional neural network potential can extend molecular dynamics (MD) simulations of LixMn2O4 to nanosecond time scales, but these simulations did not provide information about the electronic structure. Here, we extend the use of neural networks to the prediction of atomic oxidation and spin states. The resulting high-dimensional neural network is able to predict the spins of the Mn ions with an error of only 0.03 ℏ. We find that the Mn eg electrons are correctly conserved and that the number of Jahn–Teller distorted MnIIIO6 octahedra is predicted precisely for different Li loadings. A charge ordering transition is observed between 280 K and 300 K, which matches resistivity measurements. Moreover, the activation energy of the electron hopping conduction above the phase transition is predicted to be 0.18 eV, deviating only 0.02 eV from experiment. This work demonstrates that machine learning is able to provide an accurate representation of both the geometric and the electronic structure dynamics of LixMn2O4 on time and length scales that are not accessible by ab initio MD.
Molecular dynamics investigation of wetting–dewetting behavior of reline DES nanodroplet at model carbon material
Authors: Malik Akshay , Dhattarwal Harender S. , Kashyap Hemant K.
Published: October 2020

Deep eutectic solvents (DESs) have emerged as a promising class of solvents for application in nanotechnology, particularly for designing new functional nanomaterials based on carbon. Here, we have employed molecular dynamics simulations to understand the structuring of choline chloride and urea-based DES, reline, nanodroplets on carbon sheets with varying strength of the DES–sheet interaction potentials. The wetting–dewetting nature of reline has been investigated by analyzing simulated contact angles formed by its nanodroplets on the carbon sheets. Through this investigation, we find that at the lowest DES–sheet interaction strength, the contact angle formed by the reline nanodroplet on the carbon surface exceeds 150°, indicating that the surface is supersolvophobic. On the other hand, at the higher interaction potentials, reline DES wets the surface of the sheets, forming an adlayer primarily consisting of urea molecules. The choline cation and urea molecules are observed to exhibit stronger interactions with the carbon surface as compared to that of chloride anions. At the supersolvophobic carbon surface, the urea molecules have relatively higher density in the bulk of the nanodroplet, whereas the choline cation and chloride have major contributions to the outer layers of the droplets. Moreover, at the solvophilic surfaces, urea molecules are present in the adlayer, as well as in the bulk of the droplets, whereas the reline–vapor interface majorly consists of choline and chloride ions.