cord-006947-nrzjedhi	2017	Keywords: membranes, nanoparticles, capillary interactions, lipid bilayers, emulsions, viruses, interfaces (Some figures may appear in colour only in the online journal) For micrometer-sized particles, the contrib ution of the line tension is negligible; the trapping energy is proportional to the liquid-vapor interface tension γ v and decreases with decreasing contact angle, see figure 6 . Reprinted with permission from [78] copyright of The Royal Society of Chemistry (f) Deformation profiles of an interface around a particle with Hauser''s cube shape at contact angle θ = 56.28 Whether a particle stabilizes or destabilizes a film furthermore depends on the orientation that the particle assumes at the interface [102] , see section 2.4. Because the energy for an orientation where only one spherical particle is in contact with an interface does not depend on the tilt angle, an arrest in such a state could be caused by surface roughness.
cord-026501-4ddala5r	2020	The lack of both a comprehensive definition and a theoretical framework to support the concept of energy transition is not only lamentable from a scientific point of view: the resulting lack of common understanding among (inter)national actors also incapacitates the development of functioning international governance mechanisms to address this global issue. It is obvious that the various positions of countries in energy trading (influenced by their world market share/their position as a net importer/net exporter), in the globalized economy (trade surplus/deficit), with regard to their respective degrees of economic and social development (population growth/industrialization/urbanization) (Bradshaw 2010) as well as to the state of the energy system and the level of access to modern energy supplies determine the weighing of objectives and the prioritization of energy policy goals.
cord-027376-c2n9w7un	2020	We compare numerical and semi-analytical techniques concluding this paper by examining two case studies: the electron transfer through multiple quantum dots and the construction of a Hadamard gate simulated using a numerical method to solve the time-dependent Schrödinger equation and the tight-binding formalism for a time-dependent Hamiltonian. We compare numerical and semi-analytical techniques concluding this paper by examining two case studies: electron transfer through multiple quantum dots and construction of a Hadamard gate simulated using the time-dependent Schrödinger equation and the tight-binding formalism. In order to have a useful simulator of the studied quantum structure, one needs to define a possible "localised" state of an electron injected in the structure, simulate its evolution with time at a given potential energy along the structure and calculate the probability of the electron to be measured at the edges of the structure by a detector device.
cord-030610-zjymmuuy	2020	The energy from respiration featured with excellent stability, accessibility and continuality inspires the design and engineering of biomechanical energy harvesting devices, such as triboelectric nanogenerators (TENGs), to realize human‐powered electronics. Biomedical applications including electrical energy generation, healthcare monitoring, air filtration, gas sensing, electrostimulation, and powering implantable medical devices are then analyzed focusing on the design‐application relationships. Among a number of mechanical energy harvesting principles, triboelectric nanogenerator (TENG) stands out with its simple configuration, light weight, large power density, high energy conversion efficiency, and durability. 86, 87 In general, clear understanding of the respiration mechanics together with triboelectric principles lays the foundation for the design and engineering of TENG devices that could effectively convert respiration motions into continuous electricity for a variety of biomedical applications. This challenge is also beyond respiration-driven TENGs and is applicable to all other implantable energy harvesting devices for powering IMDs. Above critical challenges need short or long-term dedicated research efforts from multiple disciplines, including material science, mechanical engineering, electrical engineering, and of course biomedical engineering.
cord-031330-zgzq35fe	2020	Authors created a library of 200 compounds using the product obtained in the reaction and filtered against nsp3 of CHIKV based on docking using iGEMDOCK, a computational tool. MD trajectories were studied to collect the information about the nsp3 of CHIKV with and without screened compound and then, MM-GBSA calculations were performed to calculate change in binding free energies for the formation of complex. Designed library was used for virtually screening against nsP3 of CHIKV, to get potential lead molecules based on minimum total binding energy, drug-likeness, and bioactivity score [27] . Further, temperature dependent molecular dynamic simulations (tdMD) and MM-GBSA of screened compound-nsp3 of CHIKV complex was performed to analyze the structural stability of the complex. In this study, best five compounds from designed library were docked with active site of nsp3 of CHIKV using Pardock to elucidate their molecular interactions as in Table 9 and Figure 3 .
cord-031641-x51pprjt	2020	In order to make energy measurements as easy as possible, we integrated CPU Energy Meter into BenchExec, a benchmarking tool that is already used by many researchers and competitions in the domain of formal methods. Using CPU Energy Meter does not require any extra hardware, but accesses the existing feature for energy measurement called RAPL that Intel CPUs provide. The 8 th International Competition on Software Verification (SV-COMP''19) [3] measured energy consumption of verification tools using BenchExec and CPU Energy Meter and for the first time provided an alternative "green" ranking based on energy efficiency (CPU-energy usage divided by achieved score). The lightweight tool CPU Energy Meter fills this gap: It supports reading Intel-RAPL-based energy measurements in a convenient way and -via integration into BenchExec-using a tool environment that many verification researchers use anyway already.
cord-033693-zx5g5dyg	2020	This chapter shines a light on what happens in the dark: specifically, we present ethnographic insights from the nightlife economy and how chemicals enable youth to work "24/7." Producers, promoters, DJs, hosts, artists, performers, drag queens, musicians, stage managers, bartenders, hospitality girls, and dancers from Amsterdam, Brooklyn, Bira (Indonesia), and Puerto Princesa (the Philippines) share with the ChemicalYouth team the various stimulants they use to stay awake and perform their jobs during non-typical working hours, and the other chemicals that they take in order to be able to sleep and recover afterwards. In the Philippines and Indonesia our focused ethnographies examined how young people used stimulants to have energy and strength enough to conduct physically challenging work, laboring long hours as porters, construction workers, and security guards. Diego observed that being alert during their long shifts was a key challenge for these workers, and that they relied on energy drinks as the main substance they use to help stay awake.
cord-034362-4xdtbbzb	2020	Under conditions of excess glucose availability, its conversion to 3C eases the pressure over the regulation of glycaemia and allows for the direct use of its energy via 3C [48, 49] , in a way comparable to the "pre-preparation" of fatty acids (2Cn) fragments to plasma-soluble ketone bodies (2C2 fragments). Most of the inter-organ substrate cycles were described as mechanisms preventing the dangers of reducing power or 2-amino N accumulation in muscle or other peripheral tissues under conditions of active use of glucose or amino acids (i.e., during exercise) for energy; they always present a time-delay component for maximal effectiveness. This may be considered either as another contribution to regulate glycaemia or as an alternative to produce 3C fragments (essentially lactate and glycerol) in massive amounts to supply ready-to-use energy to most organs (including the brain) to circumvent the regulatory difficulties of glucose utilization under situations of excess substrate and/or insulin resistance [36, 43, 47, 96] .
cord-034852-adhq1zt9	2020	With the probability of point mutation affecting a given nucleotide pair of about ν = 10 −10 per cell division [34] and division frequency of the order of τ −1 = q/K, where q = 1 W kg −1 is the universal mass-specific metabolic rate and K = 4 × 10 6 J kg −1 is the energy content of living matter [28] , the genetic information of life would have melted completely in about τ/ν ≈ one billion years. A more up-to-date analysis of Ikeda [63] controlling for the physiological state in Protozoa indicates a decline in mass-specific metabolic rate with growing body size that is not distinguishable from what is observed in the groups of larger organisms (Figure 2 , thin red line).
cord-102200-9sm4rlao	2020	title: Specific cutting energy reduction of granite using plasma treatment: A feasibility study for future geothermal drilling Two different types of granite (igneous rock) were sampled and used in this study, out of which the one control group was treated with five, 40kV, 80J pulses of plasma while the other was left uncracked. The effect of the cracks is quantified by conducting facing tests on the plasma cracked and uncracked samples and measuring a reduction in the specific cutting energy. Colonial White granite shows a significant reduction in the apparent specific cutting energy after the plasma treatment because of the increased edge chipping effect. In this investigation, the effect of micro-scale energy delivery, in terms of plasma pulses, on the specific cutting energy of granite is studied for the development of future geothermal technology.
cord-104122-klvx927g	2020	The method is adopted from ANI-1ccx neural network potentials (Machine Learning) for the Atomic Simulation Environment (ASE) and predicts the single point energies at the accuracy of CCSD(T)/CBS level for the entire configurational space that is sampled by Molecular Dynamics (MD) simulations. [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] More sophisticated methods to calculate the potential binding free energy of inhibitor candidate to the protein ranges from post molecular dynamics simulations such as Molecular 57 Recently several models using active learning such as ANI-1, 58 ANI-1x 59 and ANI-1cxx 60 Here, we introduce a new strategy to estimate free energies of solvation of small organic compounds and binding to proteins in explicit solvent using single end-state MD simulations. The method is adopted from ANI-1ccx neural network potentials (Machine Learning) for the The insertion of the ligand to an environment of solvent (solvation free energy) or receptor (binding free energy) can be defined by a coupling parameter, λ.
cord-239720-efbfqnem	2020	This dataset will assist benchmarking and transfer learning in two classes of tasks: inferring 3D properties from 2D molecular graphs, and developing generative models to sample 3D conformations. Machine learning outperforms traditional rulebased baselines in many molecule-related tasks, including property prediction and virtual screening [1] [2] [3] , inverse design using generative models [4] [5] [6] [7] [8] [9] [10] [11] , reinforcement learning [12] [13] [14] [15] , differentiable simulators [10, 16, 17] , and synthesis planning and retrosynthesis [18, 19] . Molecular representations in machine learning, and the existing reference datasets, typically use either graphs [28] , or a single point cloud per molecule [29] . Message-passing neural networks use these node and edge features to create a learned fingerprint (representation) for the molecule. A variety of graph convolutional models have been proposed for learning force fields, which map a set of 3D atomic positions of a molecular entity to an energy.
cord-252529-t8tannlh	2020	Hence, this paper aims to review the current status of renewable energy in Malaysia as well as the initiatives taken before the pandemic to promote solar photovoltaic (PV) technology to meet the energy demands through the low-carbon pathway. Therefore, this review aims to address the following objectives; 1) determine the status quo of solar PV technology and related application in Malaysia; 2) establish the key factors affecting renewable energy development in Malaysia; 3) understand the updated energy framework of Malaysia: Energy Policies, Assessment, criticize, track the RE progress; 4) compare RE growth in Association of Southeast Asian Nations (ASEAN) countries; 5) Impact of COVID''19 on the Malaysian Energy Market and Energy Security; 6) Government''s response to COVID''19 pandemic to sustain the solar industry. Challenges, issues and conflicts are highlighted to ensure the long-term sustainability, reliability and energy security for the development of RE in Malaysia by considering different policies, assessing and monitoring solar PV.
cord-253212-ygmkul62	2020	The main output of this paper is presented in Section 5 describing the quantum-like mechanism of the generation of big waves of coherent information excitations. Thus, we model the information field as a quantum field with communications (generated, e.g., by mass media) as quanta carrying social energy and some additional characteristics related to communication content. The information flows generated by mass media and the Internet are so powerful that people are not able to analyze communication content deeply, they just scan its quasi-color and absorb a quantum of the social energy carried by this communication. Thus, information excitations in the echo chamber generated by posted communications not only increase the probability of emission of new information excitations by excited atoms, but they also perform the function of additional energy pumping into the gain medium (social group).
cord-255036-vpw40g40	2004	The proposed system incorporates a membrane-based total heat exchanger into a mechanical air dehumidification system, where the fresh air flows through the enthalpy exchanger, the evaporator and the condenser subsequently. In this manner, the total heat or enthalpy from the exhaust is recovered, and both the temperature and the humidity of the fresh air are decreased, which results in energy saving. Even though more detailed models are proposed by some authors, see [7, 8] , they are compli-List of symbols A tot total exchange area (m 2 ) C 0 constants in sorption curves COP coefficient of performance c p specific heat (kJ kg À1 K À1 ) D wm water diffusivity in membrane (kg m À1 s À1 ) h specific enthalpy (kJ/kg) k s convective mass transfer coefficient in supply side (kg m À2 s À1 ) m_ mass flow rate (kg/s) Dp total pressure rise (Pa) q heat (kW) cated and case-sensitive.
cord-257213-ukr5a4g3	2020	Hence, the main aim of this paper is to develop and test an innovative method based on gamification to increase wind energy sector industrial skills, providing a digital interactive environment in the form of a new user-friendly software that can allow its users to train and contribute to the teaching and learning contents. 125 In light of the above-mentioned current context, main research gaps include the standardization of the 126 operational skills for the staff qualification and the development of an ad hoc serious game that considers 127 J o u r n a l P r e -p r o o f and integrates the current approaches for professional trainings for installations and O&M activities in the 128 wind energy sector.
cord-264867-ezsy76mx	2020	Rungnim et al., to investigate the adsorption properties, along with edge effect of the GNSs, of three nucleobases with similar structures like anti-cancer drugs, mercaptopurine, thioguanine, and fluorouracil, on a graphene flake considering the weak dispersion forces caused by Van der Waals interaction [138] . In that study, they have found that the flutamide drug can be adsorbed in the SWCNT with a maximum adsorption energy of -5.38 kcal/mol in the water solvent where the dipole moment of the structure was found as 10.93 debye with a bandgap of 1.28 eV. The dispersion corrected (with M062X functional) DFT study found that 4-phpy was adsorbed on a pristine C 60 with an adsorption energy of -6.69 kcal/mol in the water phase where this value was significantly increased to -41.65 and -50.31 kcal/mol for B and Si-doped C 60 fullerenes (BC 59 and SiC 59 ) respectively.
cord-276178-0hrs1w7r	2020	In this paper, we propose an intelligent opportunistic routing protocol (IOP) using a machine learning technique, to select a relay node from the list of potential forwarder nodes to achieve energy efficiency and reliability in the network. The problem of energy efficiency during the routing of data packets from source to target in case of IoToriented WSN is significantly addressed by another network-based routing protocol known as GreeDi [6] . The problem of energy efficiency during the routing of data packets from source to target in case of IoT-oriented WSN is significantly addressed by another network-based routing protocol known as GreeDi [6] . The proposed method of relay node selection using IOP could be understood by considering an example of WSN shown in Figure 2 and using the naïve Baye''s algorithm on the generic data available in Table 4 , to find the optimal path in terms of energy efficiency and reliability from source node S to destination node D.
cord-278900-3rfb1b71	2020	Largely grounded in existing good practice guidance, our recommendations include collecting and reporting additional supporting contextual data, reviewing aspects of research design for vulnerability to validity challenges, and building in longitudinal elements where feasible. Broadly speaking, these principles involve giving consideration to possible impacts of the pandemic and associated response measures on findings; adjusting research design and data collection to reflect this; and reporting extra contextual detail. Our recommendations address data collection and the reporting of study conditions and context, as well as considerations for study designs in order to ensure high validity of energy social science research conducted during and after the pandemic. In this paper we have set out what we see as important challenges to the validity --internal, external, and of other forms --of social research in energy associated with the COVID-19 pandemic and measures put in place to control it.
cord-283133-jspfwuqu	2020	Due to the high CO(2) emissions alongside with the high solar energy harvesting potential in Iran, We have presented a clear simulation on 20 kW and 1 MW grid-connected photovoltaic (PV) power plants using RETScreen software to determine the environmental and economic aspects based on the net greenhouse gases (GHG) emissions reduction, the annual electricity exported to the grid, the cumulative cash flows, and the payback period for the initial investment. Due to the serious CO 2 emissions and air pollution in large cities of the country alongside with the high solar energy harvesting potential and growing trend of utilization of PV technology in Iran, we investigate environmental and economic aspects of two different scales of PV systems, 20 kW as a candidate for small-scale (for residential and commercial users) and 1 MW as a candidate for large-scale (utility-scale) grid-connected PV power systems in Tehran, Iran, using RETScreen software based on the new feed-in tariff policy.
cord-283907-ev1ghlwl	2020	Therefore, in this paper, the authors propose a one day-ahead electrical load forecasting model based on single and ensemble machine learning algorithms. In the present study, electrical load forecasting models of healthcare buildings are developed based on single and ensemble machine learning algorithms by taking account multi-factors simultaneously. To address this gap, this study takes into account the occupancy of outpatients, emergency patients, and inpatients and employs single and ensemble machine learning algorithms to predict the electric load demand of healthcare buildings. It can be seen that the electric load prediction for the healthcare buildings includes three steps: (1) Identify the relevant features and gather data, (2) Train single and ensemble learning models with prepared dataset, and (3) Compare the prediction performance of different models. Electrical load forecasting is naturally considered to be a regression problem in machine learning, aiming to accurately predict the energy demand of buildings based on its relationship with a given set of independent input variables.
cord-287248-otbiiybs	2020	Shifting relationships between local energy actors and Lawrence Weston highlight opportunities for the remediation of past claims of injustice, facilitating processes of restorative justice, whilst local energy schemes that seek to advance greater ''active participant'' (skills training & employment) opportunities for deprived communities in which they, or their projects, are embedded, may be underpinned by recognition justice concerns. While these residents of Lawrence Weston / members of ALW felt that local low-carbon energy transitions were failing to recognise a community within close proximity to new infrastructures, alongside seeing the potential benefit for greater involvement in transitions, a director of LCG felt that ALW''s claims of injustice were unjustified: In addition to this, BEC wanted to encourage ALW to use their contributions to fund training activities within the local community, as noted by a member of BEN when discussing the passive recipient approach to local community engagement and support: Furthering the creation of new economic opportunities in a time of austerity, this aspect of restorative justice connects powerfully to distributional justice and a focused, targeted approach to delivering the benefits of the low-carbon economy to deprived areas.
cord-291179-p2ro0zdj	2020	• The first two steps involve estimating the magnitude of investments in energy-efficient technologies and systems required to produce a unit of energy consumption reduction, and then identifying how these investments are expensed across the broad investment categories, which creates the preliminary "bills of goods" for investments in energy efficiency in homes, businesses, and industry. • In the final step we apply the input-output coefficients representing the bills of goods to estimate the direct, indirect and induced employment per million dollars of investment in energy efficiency. The authors summarize the prevailing studies as following one of two approaches -bottom-up where surveys and interviews are used to generate the number of jobs in the sector, and top-down approaches where economic modeling (such as computable general equilibrium, input-output, econometric models) is used to estimate the macroeconomic effect of investments in clean energy. To estimate the employment impact of investments in energy efficiency, we develop an approach that applies employment coefficients from the IMPLAN input-output model to results from the National Energy Modeling System (NEMS) ( Fig. 1 ).
cord-291909-x0sfwqnk	2019	To be more than reactive, it is necessary to understand the complexity and interactions of integrated environmental health risks, including the possibility of significant global population decline within the current century. This contribution provides an overview to the Limits to Growth, linking it especially to the "planetary boundaries" of climate change, biodiversity loss and novel entities (including artificial substances and genetically modified organisms). On one hand, it estimates the ecological assets required to produce the resources consumed by any discrete population; this includes food and fiber plants, livestock and fish, timber and other forest products, space for urban infrastructure and whatever "sinks" are needed to absorb the waste produced, especially carbon dioxide emissions. Although the environmental health literature has long identified links between health and indicators used in the LTG model, such as food, services, and pollution, there has been little recognition among the health community, including within public health, of the possibility of a reduction in population this century.
cord-293304-kakxmc14	2020	The interactions with the active site residues especially with Cys145 and His41, which are involved in catalytic diad for proteolysis, make these compounds potent main protease inhibitors. Molecular docking studies with the 3CL pro protein were performed to analyze the drug likeness as well as to correlate the binding energy of the docked complex with various physicochemical properties of the active molecules, which will aid in the design of new anti-COVID-19 medicatives. By using the formulated regression Model 2, we predicted the binding energy of some primaquine analogs obtained from the literature and PubChem database and then carried out their molecular docking studies on 3CL pro target to check the inhibitory potency of the ligands, given in Table 4 . Thirty molecules that showed lower binding energies were subjected to molecular docking analysis to identify the potent 3CL pro inhibitors (Supplementary Figure S5) .
cord-294202-74ixazg4	2020	Furthermore the research provides valuable information to the farming industry on opportunities in renewable energy production, particularly for farmers and farm businesses who are considering diversification strategies. Farm household incomes have often included subsidies, food production, tourism or other forms of off-farm income, however, it is recognised that the natural resources of rural spaces in Wales provide opportunities for growth in sustainable energy generation. The research aims to examine farm diversification activities and farmer attitudes towards renewable energy generation in supporting agribusinesses in Wales, as such, the study uses a sequential mixed method design (Creswell and Plano Clark, 2011) of two equally-weighted independent phases to undertake an in-depth investigation into the matter. Respondents acknowledge the abundance of natural resources that exist in Wales provides opportunities for farmers to diversify into renewable energy, however, the type of renewable energy adoption varies according to the specific conditions of the farm.
cord-303102-ap1dzbp9	2020	While, due to COVID-19 outbreak, several health issues have been raised and such issues are becoming serious days by day, more specifically in frugal economies like Pakistan, this impact is very critical, and now, an economic shock is being perceived; lockdown is being extended continuously; and by the effect of lockdown fuel consumption, CO 2 emission, energy demand and supply declined and market mechanism is altered very speedily. By the fact, the COVID-19 outbreak affected the energy sector of the world as a whole, and eventually, the demand graph of oil supplies have become bearish; oil market prices faced a decline; and big economies like the USA are bidding the oil-free of cost (Malamud and Núñez 2020) . We contributed in literature by presenting a novel study on the COVID-19 effect on carbon emission and energy consumption in modern time when the world is finding the solution for each and every sector and each and every aspect to make it sustainable.
cord-304887-7ly692to	2020	Global political agreement on the urgency of GHG emission reduction Broad consensus of all actors on the need to decarbonise the I&S industry Actors, institutions are well established in multiannual historical processes Low interest of public opinion in technology innovation in the I&S industry as such, but the high expectation to reduce environmental harm Visibility of effects of environment protection measures build-ups of local support, e.g. reduction of air pollution EU and national environmental targets, e.g. GHG emission reduction, set indirectly the targets on I&S industry decarbonisation Development of positive externalities Acknowledged societal importance, national and local, e.g. retaining jobs Flow of knowledge among different TISs, e.g. RES-energy, chemical industry, cement industry, automobile, construction, resulting in mutual benefits Strong complementarians among technologies, e.g. steel-hydrogen-RES, electrolysis-RES; in by-products utilisation, e.g. cement industry Large potential contribution to the circular economy Participation in global trend to the decarbonisation of EII Realising the potential for GHG emission reduction and energy and material efficiency 6.
cord-304935-8gcmqh4e	2020	Several issues have slowed the incorporation of biofuels into worldwide transportation, for example, competition with the food sector for the use of feedstocks (Ho et al., 2014) , the decrease in the calorific value due to the presence of oxygen (Oh et al., 2018) , stillage handling and disposal (Silva et al., 2011) , and the Energy Return on Investment (EROI) (Jessica G Lambert, Hall, Balogh, Gupta and Arnold, 2013) . First, the study developed an extensive survey of the different raw materials with energetic potential (Instituto Nacional de Preinversi on, 2014), namely agricultural and forestry crops with higher production records and yields, such as sugar cane, corn, wood, African palm (Figueroa de la Vega, 2008) , and pinion (Instituto Interamericano de Cooperaci on para la Agricultura, 2016). Hence, statistical tools and case studies are needed to determine the relationship between the energy consumption "dependent variable" and the raw material "independent variable." For biofuels production, this information allows the construction of four scenarios with different levels of corn, wood, fat, and African palm designated.
cord-305429-8pm28fmd	2020	This paper investigates the use of small-scale PV systems in local communities as non-wires alternative (NWA), offering excess energy exchange within local/neighboring microgrids (MGs) for reliable electric power supply. It is, therefore, imperative for local communities in Libya to tap the 260 vast RE potential the country has and develop modular power supply via distributed renewable generation 261 as a NWA connected directly to load centers. In terms of energy sale, the study initially assumes 498 that the NWA system receives no incentive for injecting excess energy into the grid as this is the real case Considering the grid electricity price equals to 1.4 $¢/kWh (current tariff), inflation rate at 12%, diesel 506 fuel price in its lowest (11 $¢/L), and $0 for the price of energy sold back to the grid, it is found that the 507 optimum configuration is for the PV-grid without battery storage, referring to Fig. 11 .
cord-311868-40bri19f	2020	We reviewed the literature focusing on nineteen integrated Energy System Models (ESMs) to: (i) identify the capabilities and shortcomings of current ESMs to analyze adequately the transition towards a low-carbon energy system; (ii) assess the performance of the selected models by means of the derived criteria, and (iii) discuss some potential solutions to address the ESM gaps. First, we identify key criteria for analyzing current ESMs and we describe seven current and future low-carbon energy system modeling challenges: the increasing need for flexibility, further electrification, emergence of new technologies, technological learning and efficiency improvements, decentralization, macroeconomic interactions, and the role of social behavior in the energy system transition. Based on these modeling challenges, we identify the required modeling capabilities, such as the need for hourly temporal resolution, sectoral coupling technologies (i.e., P2X), technological learning, flexibility and storage technologies, human behavior, cross border trade, and linking with market and macroeconomic models.
cord-318524-704w8ldm	2020	The data in this article provide information on spectroscopic and theoretical data for p-chlorocalix[4]arene when combined with selected drugs, such as paracetamol, ibuprofen, and cetirizine. It is interesting to note that of the three titled drugs identified, p-chlorocalix[4]arene showed the highest interaction energy with paracetamol, followed by ibuprofen and cetirizine. Keywords p-Chlorocalix [4] arene, paracetamol, interaction energy, molecular receptors, Gaussian Specifications Table Subject Chemistry Gaussian 09 software was used to calculate the interactions between host (pchlorocalix [4] arene ) and guest molecules (paracetamol, ibuprofen, and cetirizine) The p-chlorocalix [4] arene acted as molecular host, and three selected guest drugs namely paracetamol, ibuprofen, and cetirizine, acted as the guest molecules. The diagram showed that pchlorocalix [4] arene and cetirizine has the lowest energy band gap (2.9321 eV) as compared to paracetamol (4.9239 eV) and ibuprofen (5.1128 eV).
cord-320490-3jmo35jc	2020	In this study, we characterized the SARS-CoV-2 spike glycoprotein by immune-informatics techniques to put forward potential B and T cell epitopes, followed by the use of epitopes in construction of a multi-epitope peptide vaccine construct (MEPVC). Stable conformation of the MEPVC with a representative innate immune TLR3 receptor was observed involving strong hydrophobic and hydrophilic chemical interactions, along with enhanced contribution from salt-bridges towards inter-molecular stability. The study presented, herein, is an attempt to get insights about antigenic determinants of SARS-CoV-2 spike glycoprotein and highlight all antigenic epitopes [31] of the spike that can be used specifically for the design of a multi-epitope peptide vaccine construct (MEPVC) [32] to counter COVID-19 infections. The epitopes predicted by immunoinformatics techniques were fused together as well as to β-defensin adjuvant [33, 34] to boost the antibody production and longThe MEPVC affinity for an appropriate immune receptor as an agonist was checked in the step of molecular docking [60] .
cord-324185-zt88o3co	2020	Jefferson (this volume) [18] writes "In the run-up to the collapse of crude oil prices in early 2020 it was primarily a division between Russia and Saudi Arabia within OPEC which appeared to be the main force at work, but then the COVID-19 pandemic took over, followed by US oil prices turning negative in April 2020, as May contracts expired and traders had to offload stocks with ongoing storage becoming extremely limited." He further states that despite the stimulus and recovery packages being offered by many nations, "there will be many oil sectors incurring losses, from US shale oil and Canadian tar sands producers, to many standard crude oil exporters incurring problems with production equipment access and costs, or experiencing lack of competitiveness in key markets." Recent data from the International Energy Agency confirms this point, noting severe reductions in global demand for oil and natural gas (see Fig. 2 ).
cord-325471-fc152wm3	2020	Using Monte Carlo methods, this study investigates energy deposition of energetic electrons and ionization in the 2019 novel coronavirus by electron irradiation, which are important characteristic quantities related with biological damage formation. The densities and distributions of energy deposition and ionization were calculated from the stopping power and inelastic cross-sections in the electron-cascade simulation. Therefore, the interaction of low-energy electrons with the main proteins and RNA macromolecules of the novel coronavirus was the key issue of our calculation. The stopping power was suitable for describing the energy-deposition probability in the target, and the ionization events were determined as the inelastic cross-sections of collisions with the shell electrons of J o u r n a l P r e -p r o o f an atom. In this work, we calculated the distributions of energy deposition and ionization in the novel coronavirus irradiated with electrons having primary energies below 10 keV.
cord-326749-t727v0zt	2013	This paper proposes a simulation-based method to evaluate the probability of energy saving shortfall taking into account the variations in the influential parameters, including weather conditions, occupancy, operating hours, thermostat set-point, etc., during the contract period. Empirical data is also used to develop the probability distribution functions for the identified parameters to simulate the actual yearly variations in the post-retrofit conditions. This paper aims at developing a simulation-based method to evaluate the probability of energy saving shortfall taking into account the variations in the influential parameters. Monte Carlo simulation is performed to generate a common set of post-retrofit condition data based on the PDF of the selected parameters. A risk analysis tool based on Monte Carlo simulation (@Risk) [44] was utilised to generate 10,000 common data sets of 7 input parameters for two calibrated building energy models.
cord-327278-2n9eo1n8	2020	where y t refers to each of the observed time series (energy consumption and prices in the spot and future markets); β 0 and β 1 are unknown coefficients referring, respectively, to an intercept and a linear time trend, while x t is supposed to be I(d), where d can be any real value; finally, u t is I(0), expressed in terms of both uncorrelated and autocorrelated (Bloomfield) errors. These results suggest that the energy spot market in Portugal and Spain presents the price-elasticity of demand expected behaviour of micro-economics, where higher prices induces lower consumption and vice-versa, in a feedback process that is temporally persistent. Throughout this paper the stochastic properties of energy consumption and energy prices in Spain and Portugal have been examined by using fractional integration or I(d) techniques in the spot and futures markets.
cord-331829-td9m9ojx	2020	On the other, concerns about global climate change and the competitiveness of renewable energy are turning coal into a sunset industry and threaten to transform oil reserves into stranded assets. Whether incorporated into digital technology or infrastructure, the majority of metals remain available for recycling, which is generally less expensive, uses less energy, and has fewer environmental impacts than extracting minerals from the earth. The threat posed by climate change from continued use of fossil fuels, and the impacts of environmental degradation caused by resource extraction, demand greater attention than the misleading specter of peak oil or running out of metals. But in recent years, the Malthusian fear of running out of minerals and fossil fuels has largely been overtaken by concerns about the contribution of greenhouse gas emissions to global climate change and environmental degradation resulting from resource extraction.
cord-333338-6mxeq8dg	2020	By exploring this overarching aim, the main objectives of this perspective paper are (1) to evaluate the main impacts on the primary household energy use, (2) to suggest what could become a longer-term energy implication for the households, and (3) to address what needs to be studied at a larger scale in the future research. The methodology package is designed based on a pilot study, evaluating the impacts of the COVID-19 pandemic on household energy use and consumption. Second, the results of ''cooking'' and ''household entertainment activities'' are summarized together to indicate the changes between different phases and the correlation between these two daily needs that require energy use for preparation and operations. It mainly investigates the changes that could suggest major impacts on the household energy use because of the COVID-19, and some that could potentially last longer than these few months of the pandemic.
cord-334329-puwf6ab5	2020	Policy realignment under the five-year plan is discussed in length to demonstrate how policy, markets, and engineering designs contribute towards the development of model direct methanol fuel cells operational enhancement, and factors that affect critical performance parameters for commercial exploitation are summarized for catalytic formulations and cell design within the context of why this investment in technology, education, and finances is required within the global context of sustainable energy and energy independence as exposed by thirteenth the five-year plan. Whilst direct CO2 hydrogenation to methanol is a new technology, advances in a catalyst, reactor design, and operational at lower temperatures are pushing these technologies to be competitive with electricity generation from fossil fuels, J o u r n a l P r e -p r o o f with the catalyst being based around Cu, such as Cu/ZnO, Nb2O5 of Ga2O3, with carbon nanotubes as support.
cord-335330-d8qevnl5	2020	Dominated by the oil crises, security of supply, and energy efficiency, the 1975, 76, 77 and 79 volumes did not have any articles addressing environmental or climate change issues. Articles about climate issues related to energy use took a bit longer to develop, and the journal published a special issue on climate policy in 1993. Increased recognition about environmental issues and climate change associated with energy use and then rising oil prices have stimulated a strong surge in research about energy policy. Although the journal has become more technical as the field of energy-related research has matured, we expect the articles that we publish to inform energy-related policy. We are working to increase the number of Invited Review Articles, and we continue to seek the submission of manuscripts addressing behavioral aspects of energy choices that need to be better understood in order to design effective programs and policies.
cord-337058-rhu5hp9t	2020	Here, we integrate this theory with Lotka''s Maximum Power Principle and propose a model linking energy extraction from the environment with genetic, technological and cultural evolution to increase human ecosystem carrying capacity. Lotka argued that natural selection acted so that organisms sought to maximize the rate at which it extracted energy from the environment; H.T. Odum later named this hypothesis the maximum power principle (Sciubba 2011) . Phrased in the language of the present paper, Malthus argued that the rate of increase of energy extraction from the environment was principally resource (rather than technology) limited and that this resulted in socio-ecological crisis when the rate of population growth exceeded the rate of energy extraction growth. We propose that human societies are prone to unsustainability, because they have evolved to maximize their rate of energy extraction from the environment through a multi-level selective process acting on both genetic and cultural heritable variation.
cord-343926-47m17k1t	2020	We identify some of the initial impacts of the ''great lockdown'' on sustainable and fossil sources of energy, and consider how economic stimulus packages and social practices in the wake of the pandemic are likely to shape energy demand, the carbon-intensity of the energy system, and the speed of transitions. Discussion focuses on four key themes that shape the politics of sustainable energy transitions: (i) the short, medium and long-term temporalities of energy system change; (ii) practices of investment around clean-tech and divestment from fossil fuels; (iii) structures and scales of energy governance; and (iv) social practices around mobility, work and public health. For example, the Paris Agreement instituted nationally determined climate goals; sustainability transitions were placed on the agendas of many local, national and global governing bodies; the cost of renewable energy continued to fall rapidly, making it an increasingly politically and economically viable option; divestment campaigns were taking off; and there was a surge in public buy-into the argument that urgent action was required to address climate change.
cord-345024-dtsi9qit	2020	Each workshops focused on a different set of topics, either touching more socio-political (e.g. health concerns, climate and environmental regulation options) or techno-economic (e.g. number of job losses and possible replacements, technical replacement of coal with renewable energies, grid stability, affordability) aspects as well as the response strategies of the coal regime (e.g. modelling phase-out pathways, liability issues). The declining role of coal combined with widely appreciated and available alternatives like local natural gas, nuclear energy, and renewable energy helped to generate public support for climate change policies. Several policies introduced after 2006 constrained coal''s business opportunities long before the final phase-out decision in 2015, especially the CPF, the Renewables Obligation (RO), the Emissions Performance Standard (EPS), as well as more in general the Climate Change Act and the related carbon budgets.
cord-348594-nevbssd3	2020	Energy transition in Morocco is expected to have a significant impact on the national power grid stability, generating both a significant need for a network (to integrate a growing fraction of renewable production and benefit from the proliferation of intermittent production) and a decrease in its utilization rate (linked to self-consumption and decentralization of production). Gas is expected to play a major role in the electricity mix and according to [48] in 2011 the gas demand in the MENA countries grew faster than in other regions., since Morocco plans to import 5 billion cubic meters (bcm) of LNG via a new LNG import terminal, which will provide 2,400 MW of new combined cycle gas turbines (CCGTs).Morocco''s needs for flexibility will increase and will mainly be provided via decentralized tools (energy storage, erasure, consumption modulation, electric vehicles batteries, decentralized production) requiring the aggregation of a large number of diffuse points; distribution network operators will become real operators, responsible for active network management and the organization of local flexibility markets.
cord-351672-7oi9w87s	2020	As the COVID-19 pandemic stimulated new markets in distance meeting/learning, home office, e-shopping and e-socialising, the promising development trend of 5G is highly expected after the pandemic is well controlled. Many innovative and intensified services as e-shopping, advanced and possible person-less waste management collection and treatment, and applications of novel ways for deliveries, for example, drones, can change the energy requirements. 20 It means that with many options opened the new emerging options and opportunities for energy saving and making the generation, distribution and usage more efficient becomes a crucial issue and the research in this direction should be encouraged and facilitated. The future research should follow several avenues: novel opportunities continuously arising as a response to the new demands, energy efficiency and savings as well as reducing and minimising the environmental burden created by electrical power generation, transmission and distribution. Minimising the present and future plastic waste, energy and environmental footprints related to COVID-19