State Interactions Research Articles

Multi-area state estimation for active distribution networks under multiple uncertainties: An affine approach

An enormous challenge for the state estimation (SE) process in large-scale distribution networks lies in how to deal with multiple uncertainties and the increasing computational tasks simultaneously. This paper aims to address the issue and propose a multi-area architecture for perceiving system status with uncertain inputs. The first step involves the introduction of a novel Louvain-flow-based partition structure, which effectively divides large-scale unbalanced distribution networks into several sub-areas. Subsequently, an affine state estimation (ASE) model, employing the Neumann series method, is formulated for each sub-area, taking into account uncertainties in system measurements and line parameters. Finally, the interior-point filter line-search algorithm combined with consensus theory is utilized to solve all local ASE models, and the interaction of boundary state between adjacent sub-areas is focused and completed, to output the global state results of the distribution network precisely. Case studies are presented to verify that the proposed distributed ASE model yields obvious advantages in tracking system uncertainties by contrast with the existing SE model.

Cycloplatinated(II) metallomesogens and their binary-mediated chirality transfer and amplificated deep-red circularly polarized luminescence with ultrahigh dissymmetry factor over 0.13

Incorporating supramolecular chirality and high emission into metallomesogens has great significance in the field of flexible electronic devices because of their emergent capacities for enlarged chiroptical activities and either thermotropic or solution-processability. In this work, an enantiomeric pair of chiral Pt(II) metallomesogens (S)/(R)-Pt1 were prepared through laboratory-synthesized chiral picolinic acid ligands and phenylpyridine derivatives to study their mesophase behaviors, chiroptical properties, and chirality transfer and amplification. The solutions of (S)/(R)-Pt1 emitted green phosphorescence at 508 nm, but the amorphous form displayed orange-red phosphorescence at 616 nm. Upon gentle grinding or heating, the emission color of Pt1 was dramatically changed with a bathochromic shift of 47 and 51 nm, respectively, because of emerged intermolecular π···π and Pt⋯Pt interactions in all aggregation states. Furthermore, the chiroptical properties and LC self-assembly model were proposed by Density Functional Theory (DFT) calculations and chiroptical spectrum measurements. The enantiotopic (S)/(R)-Pt1 complexes exhibited electronic circular dichroism (CD) and circularly polarized luminescence (CPL) activities in solution with a smaller asymmetry factor (±5 × 10−4) by chiral disturbance. This pair of exclusively enantiomeric complexes exhibited smectic mesophase behavior in the range of 31.4–76.5 °C but induced unsuccessfulness of helical packing in LC states due to weak induction ability. Contrastively, binary-component mediated supramolecular helical formation and amplificated deep-red CPL switch with ultrahigh dissymmetry factor over ±0.13 in helical twist grain boundary phases (TGBA*) mesophase has been realized.

Simple scaling of the empirical London dispersion corrections in DFT geometry optimizations of prototypical nonlinear optical crystals

AbstractThe quantum treatment of electrons at the Kohn‐Sham Density Functional Theory (DFT) level of approximation is used in order to optimize the structure of four organic and organo‐metallic crystalline systems, starting from experimentally determined structures, allowing subsequent quantum‐level theoretical analysis, the accent here being put on crystals having nonlinear optical (NLO) properties. By employing DFT, one must select an exchange‐correlation functional (XCF), that is, a mathematical description of the electron interactions. Among most of the XCFs, a well‐known general discrepancy is the lack of London‐type interactions description. One of the most popular correction schemes consists of adding a posteriori the contribution of these interactions by using empirical expressions. Here, the approach relies on the simple D* scheme, a variation of the D2 correction originally elaborated by Grimme for molecular clusters, where the D2 correction is scaled to account for the interactions in the crystal solid state. The performance of this simple D* scheme is demonstrated and the most suitable scaling factors for four prototypical organic and organo‐metallic NLO crystals are determined for four representative XCFs: zero (no correction) for PBESol, PBESol0, and B97X, and 0.7 for B3LYP.

The Strategy of Russia in the Trans-Eurasian Connectivity

It was observed in the recent period that strategic initiatives enhancing connectivity in the Eurasian continent. Since 2014, the Belt and Road Initiative (BRI) has been promoted by China, and some CIS countries, including Russia, established the Eurasian Economic Union (EAEU) in 2015. Several East–West routes exist, in contrast to which the INSTC is the only one meridional transcontinental corridor in the EAEU. The rapidly growing economy of India, on the other hand, for which the INSTC could be the land-based corridor of choice for efficient trade with Russia and Central Asia. Ongoing challenges, bureaucratic delays, and inter-regional disputes are the challenges likely to be faced by the project as competition for influence across Eurasia continues to heat up. INSTC may become a major game-changer in global trade as well as in the broader region provided it tackles all the obstacles in its way. The northwestern part of Europe and the Nordic countries, along with Central Asia and the Persian Gulf, are connected through this multimodal INSTC. Passing through the Suez Canal and Gibraltar, multimodal routes are to be facilitated for the shift of freight that flows from these sea routes. The INSTC has not gained as much traction as the existing Eurasian corridors and TRACECA, given sanctions imposed on Iran and bottlenecks in the transport infrastructure. The active interaction of the EAEU member states with India and Iran, over the last several years, as well as a better regulatory environment around the Caspian Sea, drove its development. To form the framework for a strong connectivity network from the Indian Ocean to the Baltic States and Scandinavia, for which the INSTC has much potential. Besides its significance economically and its capacity to improve the bilateral relations of member states, INSTC also has the potential to act as a major counterbalance to Chinese influence in the region of Central Asia where the interests of Russia, Iran, and India, the leading INSTC states, also align. Ongoing challenges, bureaucratic delays, and inter-regional disputes are the challenges likely to be faced by the project as competition for influence across Eurasia continues to heat up. INSTC may become a major game-changer in global trade as well as in the broader region provided it tackles all the obstacles in its way.

Interaction between economic actors, state and civil society regarding protected areas

This paper is devoted to the interaction between economic actors, the state and civil society regarding protected areas. Be researched the human factor, namely, the fact that the modern world has entered a new stage of its development - globalization, therefore it is important that the process of globalization serves sustainable development, and for this it is necessary that the economic expenses also depend on solutions balanced to the socio-economic problems of environmental conservation. Thus, the approach to the interaction of economic factors, state and civil society in the case of protected areas, continues to be of particular interest to contemporary researchers, considering the growth of the population, their expansion and the exploitation of forests, being a global issue and up to now.

DISORDERS OF MOTOR ACTIVITY ON THE MODEL OF AUTISM SPECTRUM DISORDERS

Autism, or autism spectrum disorder (ASD), is a multifactorial disease that is characterized not only by disorders of the psycho-emotional state and social interaction, but also by somatic dysfunctions. A number of studies have also reported changes in the musculoskeletal system in patients with ASD. In this work, by the method of video analysis of movements, we demonstrated a decrease in horizontal and vertical motor activity, in addition, deviant movements were recorded, which indicates a violation in locomotor activity and increased anxiety in rats with a valproate model of autism. However, a mechano-myographic study did not reveal significant changes in the contractility parameters of isolated skeletal muscles of rats with the ASD model. Thus, it can be concluded that general differences in movement may be an independent factor in the diagnosis of autism. A more thorough study using a larger sample and detailed kinematic analysis can help in further assessing the variability of motor functions as a potential diagnostic and prognostic marker of ASD.

Insights into ENSO Diversity from an Intermediate Coupled Model. Part II: Role of Nonlinear Dynamics and Stochastic Forcing

Abstract In this study, we investigate how a single leading linear El Niño–Southern Oscillation (ENSO) mode, as studied in Part I, leads to the irregular coexistence of central Pacific (CP) and eastern Pacific (EP) ENSO, a phenomenon known as ENSO spatiotemporal diversity. This diversity is fundamentally generated by deterministic nonlinear pathways to chaos via the period-doubling route and, more prevailingly, the subharmonic resonance route with the presence of a seasonally varying basic state. When residing in the weakly nonlinear regime, the coupled system sustains a weak periodic oscillation with a mixed CP/EP pattern as captured by the linear ENSO mode. With a stronger nonlinearity effect, the ENSO behavior experiences a period-doubling bifurcation. The single ENSO orbit splits into coexisting CP-like and EP-like ENSO orbits. A sequence of period-doubling bifurcation results in an aperiodic oscillation featuring irregular CP and EP ENSO occurrences. The overlapping of subharmonic resonances between ENSO and the seasonal cycle allows this ENSO irregularity and diversity to be more readily excited. In the strongly nonlinear regime, the coupled system is dominated by regular EP ENSO. The deterministic ENSO spatiotemporal diversity is thus confined to a relatively narrow range corresponding to a moderately unstable ENSO mode. Stochastic forcing broadens this range and allows ENSO diversity to occur when the ENSO mode is weakly subcritical. A close relationship among a weakened mean zonal temperature gradient, stronger ENSO activity, and more (fewer) occurrences of EP (CP) ENSO is noted, indicating that ENSO–mean state interaction may yield ENSO regime modulations on the multidecadal time scale.

STATE, PRIVATE AND PUBLIC INSTITUTIONS INTERACTION IN THE ORGANIZATION OF INVESTMENT ACTIVITIES MANAGEMENT OF A HIGHER EDUCATION INSTITUTION

The article analyzes the effectiveness of state, private, and public institutions' interaction in the organization of investment activities management of a higher education institution. The organizational forms of state, private, and public institutions interaction with a higher education institution for the organization of investment activities management are considered, which include charitable contributions, grants, public-private partnerships, crowdfunding, international humanitarian aid, participatory budgeting, fundraising, etc. The main principles of the organization for managing the investment processes of the educational institution and the interaction of its subjects are established. They are the following: dynamism, efficiency, integration, perspective, planning, realism, and self-governance. It is emphasized that state, private, and public institutions' interaction in the organization of investment activities management of a higher education institution is based on the ideas of «public-private partnership» and «public-public management». As a result of the research, it has been determined that the interaction of the higher education institution with various social groups to organize investment activities management allows them to engage in project activities, attract additional resources, modernize the university infrastructure, obtain new opportunities for academic mobility, increase the level of educational services quality, strengthen scientific activity, promote further employment of graduates and to cooperate with various stakeholders to manage the educational institution in general or a separate area of it.

Theoretical study of an N-heterocyclic carbene-catalyzed annulation reaction between an enal and a β-silyl enone: Mechanism and origin of stereoselectivity

In this study, the mechanism and origin of the stereoselectivity of an N-heterocyclic carbene (NHC)-catalyzed transformation reaction between an enal and a β-silyl enone are systematically investigated using density functional theory (DFT) at the M06-2X level. Multiple pathways are proposed and studied to identify the most energetically favorable mechanism for the reaction. The calculation results show that the most energetically favorable pathway comprises the following processes: nucleophilic addition of NHC to the Si-face of the enal to form a zwitterionic intermediate, two sequential CsHCO3-assisted intramolecular proton shifts to produce an enolate intermediate, Michael-type addition of the enolate intermediate to the β-silyl enone, ring closure to construct a six-membered ring intermediate, and the dissociation of NHC to release the final product. The reaction between the enolate intermediate and the β-silyl enone is identified as the stereoselectivity-determining step, preferentially generating an RS-configured product. Subsequent atoms-in-molecules (AIM) and noncovalent interaction (NCI) analyses verify that the main factor for inducing stereoselectivity is the higher number of noncovalent intermolecular interactions in the low-energy transition state.

Problems with the Asylum System and Their Solutions: Take Case of Colombia v. Peru on the Right of Asylum as an Example

The right of asylum in international law refers to the right of citizens of one country to enjoy asylum in another country, and in the interaction of sovereign states, the right of asylum is usually applied in the context of a citizen of a country requesting to enter another country or having entered another country for political reasons and in an emergency, and is approved by the government of another country. For a long time, there have been debates on the definition, establishment conditions and examination procedures of the right of asylum, and there have been many differences in the determination of the application of the right of sanctuary in practice. Based on the study of the Colombia v. Peru asylum case and the literature related to the right of asylum, this paper uses the comparative research method and the case analysis method to discuss the differences between the academic research on the right of asylum in the past and the present, and analyzes the problems and challenges of the asylum right system in the current international environment based on real cases, and finally provides suggestions for clarifying the criteria for determining the right of asylum in the form of a convention and formulating strict review procedures.

Linearized Pair-Density Functional Theory for Vertical Excitation Energies.

Multiconfiguration pair-density functional theory (MC-PDFT) is a computationally efficient method that computes the energies of electronic states in a state specific or state average framework via an on-top functional. However, MC-PDFT does not include state interaction among these states since the final energies do not come from the diagonalization of an effective model-space Hamiltonian. Recently, multistate extensions such as linearized PDFT (L-PDFT) have been developed to accurately model the potentials near conical intersections and avoided crossings. However, there has not been any systematic study evaluating their performance for predicting vertical excitations at the equilibrium geometry of a molecule, when the excited states are generally well separated. In this paper, we report the performance of L-PDFT on the extensive QUESTDB data set of vertical excitations using a database of automatically selected active spaces. We show that L-PDFT performs well on all these excitations and successfully reproduces the performance of MC-PDFT. These results further demonstrate the potential of L-PDFT, as its scaling is constant with the number of states included in the state-average manifold, whereas MC-PDFT scales linearly in this regard.

Qualitative communication research with environmental health scientists and stakeholders

Abstract Effective research translation and science communication are necessary for successful implementation of environmental health initiatives to improve public health. The Community Engagement Core (CEC) of the Center for Oceans and Human Health and Climate Change Interactions in the southeastern United States conducted a trio of qualitative studies to assess perceptions, experiences, and training needs relative to science communication and research translation of investigators and stakeholders. Interview transcripts were coded using open and axial coding and analyzed for emergent themes. (1) Interviews were conducted with 13 Center investigators. Most preferred in-person and written communication channels and felt comfortable communicating uncertain findings to the public despite no formal training. They asked for training on plain language messaging for communities, assessment of audience needs, and formatting research findings for various groups. (2) Interviews were conducted with 13 CEC stakeholders to learn more about their research translation needs, communication and dissemination tactics, and experiences interacting with scientists. Findings indicated the need for collaborative scientist-stakeholder training to include plain language development, communication evaluation, and audience engagement. (3) Follow-up interviews with 7 stakeholders examined specific topics of understanding, trust, and access and how those can become barriers or facilitators of public engagement with environmental activities. Findings showed the public may have limited understanding of scientific processes, establishing trust takes time, and ensuring access should be incorporated into all programs. Together, these analyses demonstrate the importance of engaging investigators and partners on all aspects of research. This presentation is relevant to other partner-engaged research and provides insights on practices for equitable and effective stakeholder engagement and collaboration. Key messages • Effective research translation and science communication are necessary for successful implementation of water resources management initiatives. • Qualitative research is important for assessing perceptions, experiences, and training needs relative to science communication and research translation for researchers and community partners.

Similar electronic state effect enables excellent activity for nitrate-to-ammonia electroreduction on both high- and low-density double-atom catalysts.

Double-atom catalysts (DACs) for harmful nitrate (NO3-) electroreduction to valuable ammonia (eNO3RR) is attractive for both environmental remediation and energy transformation. However, the limited metal loading in most DACs largely hinders their applications in practical catalytic applications. Therefore, exploring ultrahigh-density (UHD) DACs with abundant active metal centers and excellent eNO3RR activity is highly desired under the site-distance effect. Herein, starting from the experimental M2N6 motif deposited on graphene, we firstly screened the low-density (LD) Mn2N6 and Fe2N6 DACs with high eNO3RR activity and then established an appropriate activity descriptor for the LD-DAC system. By utilizing this descriptor, the corresponding Mn2N6 and Fe2N6 UHD-DACs with dynamic, thermal, thermodynamic, and electrochemical stabilities, are identified to locate at the peak of activity volcano, exhibiting rather-low limiting potentials of -0.25 and -0.38V, respectively. Further analysis in term of spin state and orbital interaction, confirms that the electronic state effect similar to that of LD-DACs enable the excellent eNO3RR activity to be maintained in the UHD-DACs. These findings highlight the promising application of Mn2N6 and Fe2N6 UHD-DACs in nitrate electroreduction for NH3 production and provide impetus for further experimental exploration of ultrahigh-density DACs based on their intrinsic electronic states.

Интеллектуальное право и научно-образовательное взаимодействие государств-членов ЕАЭС

The article analyzes two main sectors that are the drivers of socio-economic development of the EAEU mem-ber states: the scientific and educational sector and the intellectual property (hereinafter – IP) sector. Using var-ious theoretical and methodological approaches of scientific research, the main barriers to development and risks of strengthening the interaction of states in these areas are identified. The authors, based on the study of international practice, as well as national differences of the member states, highlight measures to strengthen cooperation, in particular, recommendations for the state bodies of the Union and private business. Systemati-zation and harmonization of these areas of cooperation of the Union will increase the level of integration inter-action in the conditions of digital development of the global economy, as well as to ensure effective protection of IP rights, to form a highly qualified pool of Eurasian youth.

Bethe-Heitler lepton pair production in the deuteron breakup reaction* *Supported by the National Natural Science Foundation of China (12075003, 12175117, 12335006)

We study the lepton pair production via the Bethe-Heitler mechanism in the deuteron breakup reaction. The complete seven-fold differential cross section is calculated with final state interactions taken into account. The deuteron bound state is described by a relativistic covariant deuteron-nucleon vertex. The numerical results indicate that the differential cross section is highly dependent on the lepton's azimuthal angle in regions of small polar angles and exhibits sharp peaks in the distribution over the invariant mass of the generated lepton pair or the two nucleons in the final state. We demonstrate that such a nearly singular feature originates from the collinearity between the produced lepton or antilepton and the incident photon, and it is physically regularized by the lepton mass in our calculation. The final state interaction between the knocked-out nucleon and recoil nucleon redistributes the differential cross section over the missing momentum, with a significant enhancement at a large missing momentum and a suppression in the intermediate region. With a further decomposition of the final state interaction contribution, It is found that the on-shell term dominates the near quasi-elastic region, while the off-shell term dominates the other end. Additionally, we examine the contribution from the interference between the proton amplitude and neutron amplitude, which, as expected, is found negligible even if the proton-neutron rescattering is included. The results of this study can serve as inputs for the analysis and background estimation of multiple exclusive measurements at Jefferson Lab and future electron-ion colliders.

Fluorine‐Boosted Kinetic and Selective Molecular Sieving of C6 Derivatives

AbstractPorous molecular sorbents have excellent selectivity towards hydrocarbon separation with energy saving techniques. However, to realize commercialization, molecular sieving processes should be faster and more efficient compared to extended frameworks. In this work, we show that utilizing fluorine to improve the hydrophobic profile of leaning pillararenes affords a substantial kinetic selective adsorption of benzene over cyclohexane (20 : 1 for benzene). The crystal structure shows a porous macrocycle that acts as a perfect match for benzene in both the intrinsic and extrinsic cavities with strong interactions in the solid state. The fluorinated leaning pillararene surpasses all reported organic molecular sieves and is comparable to the extended metal–organic frameworks that were previously employed for this separation such as UIO‐66. Most importantly, this sieving system outperformed the well‐known zeolitic imidazolate frameworks under low pressure, which opens the door to new generations of molecular sieves that can compete with extended frameworks for more sustainable hydrocarbon separation.

Fluorine-Boosted Kinetic and Selective Molecular Sieving of C6 Derivatives.

Porous molecular sorbents have excellent selectivity towards hydrocarbon separation with energy saving techniques. However, to realize commercialization, molecular sieving processes should be faster and more efficient compared to extended frameworks. In this work, we show that utilizing fluorine to improve the hydrophobic profile of leaning pillararenes affords a substantial kinetic selective adsorption of benzene over cyclohexane (20:1 for benzene). The crystal structure shows a porous macrocycle that acts as a perfect match for benzene in both the intrinsic and extrinsic cavities with strong interactions in the solid state. The fluorinated leaning pillararene surpasses all reported organic molecular sieves and is comparable to the extended metal organic frameworks that were previously employed for this separation such as UIO-66. Most importantly, this sieving system outperformed the well-known zeolitic imidazolate frameworks under low pressure, which opens the door to new generations of molecular sieves that can compete with extended frameworks for more sustainable hydrocarbon separation.

Synthesis, Structures, and Aggregation-Induced Emission Properties of Distyrylbenzene Derivatives Containing Fluorine Groups.

Distyrylbenzene derivatives with substituents on the vinylene moieties have been studied due to interest in their optoelectronic properties. In this study, we focused on distyrylbenzene derivatives with monofluoroolefin structures, expecting intermolecular H-F interactions in the solid state. UV-vis and fluorescence spectra of the obtained compounds were measured and compared with those of unsubstituted distyrylbenzene. The crystal structures of each compound were determined by single crystal X-ray diffraction and Hirshfeld surface analysis to understand the intermolecular contacts.

Fast reactive interdiffusion between solid brass and liquid aluminium

The formation mechanisms of intermetallic layers and the development of the interface between solid brass and molten Al alloy were experimentally investigated using semi-infinite solid-liquid diffusion couples. Isothermal annealing of commercial CuZn37 – AA7075 diffusion couples was conducted for the selected temperatures of 650 °C, 660 °C, 680 °C and 700 °C, for three annealing times of 10 s, 20 s and 40 s, followed by quenching. Regardless of the temperature, the interface consisted of three intermetallic layers that are reaction products as defined in the Al–Cu–Zn phase diagram. In order to explain the growth behaviour and bring insights into the interface formation mechanisms, the thermodynamics of the Al–Cu–Zn was investigated by CALPHAD (calculation of phase diagrams). Based on these ex-situ results, three distinct phenomena were observed. First, intermetallic layers dissolve simultaneously into the molten Al alloy when the annealing time exceeds 40 s. Second, parts of the intermetallic layer that are in contact with the molten Al, detach from the interface region in the direction of molten Al alloy leading to a decrease in the layer thickness and deviation from planar-like geometry. Third, the formation of the three intermetallic layers is exclusively the result of solid-liquid interactions followed by quenching. Previous studies have shown a scattered interface character between solid brass and molten aluminium which results from interactions in the solid-solid state due to low cooling rates. As a result, the concept of primary intermetallic layers was introduced to describe the interface formation upon the contact of solid brass with molten aluminium alloy.

Biphenol-based tetradentate N2O2 donor scaffold binuclear Zn(II) and trinuclear Cu(II) Complexes: Synthesis, Structure, Characterizations, and catalytic cyanosilylation of aldehydes at room temperature

In this work, two dinuclear Zn(II) complexes [Zn(H2L1)]2(complex 1), [Zn(H2L2)]2(complex 2), and a trinuclear Cu(II) complex [Cu(H2L2)]3 (complex 3) (H2L1 = 3,3′-bis-[(2,6-dimethyl-phenylimino)-methyl]-[1,1′]-biphenyl-2,2′-diol, H2L2 = 2,6-diethyl phenylimino)-ethyl]-[1,1′]-biphenyl-2,2′- diol) are reported. The complexes 1, 2 &3 have been produced and isolated for the first time in a well-defined and air-stable form by reacting biphenol-based tetradentate N2O2-type (H2L1 and H2L2) ligands with the respective metal acetate salts. The synthesised compounds were characterized by UV–Vis spectroscopy, elemental analysis, mass spectrometry and Fourier-transform infrared spectroscopy (FT-IR). Single crystal X-ray diffraction (SCXRD) study revealed distorted tetrahedral geometry surrounding the core Zn2+ cations (1–2) that were bridging the teradentate N2O2 ligands. In complex-3, the Cu(II) center is four-coordinated via tetradentate N2O2 donor ligand, forming slightly distorted square planar geometry with an angular C2-symmetric core and exhibits weak antiferromagnetic (AF) interactions. Hirshfeld surface analysis and fingerprint plots were used to investigate the intermolecular interactions in the crystalline state. Strong H…H and H… C/C…H intermolecular interactions were seen on the Hirshfeld surface when it was mapped over dnorm, shape index, and curvature. These interactions were found to be the main contributors to crystal packing. Excellent catalytic activity was demonstrated for the dinuclear zinc(II) complexes [Zn(H2L1)]2 (1)and [Zn(H2L2)]2 (2) in the cyanosilylation reaction of various aryl aldehydes into value-added cyanohydrins at room temperature and under solvent free conditions.