Pair Structure Research Articles

Comparison Between Minimally-Invasive Right Anterior and Right Posterior Sectionectomy versus Right Hepatectomy: An International Multicenter Propensity-Score Matched and Coarsened-Exact Matched Analysis of 1100 Patients

Introduction: The role of minimally-invasive right anterior and right posterior sectionectomy (MI-RAS/MI-RPS) in right sided liver lesions remains debatable. However technically more demanding, these procedures might result in faster recovery and lower postoperative morbidity compared to minimally-invasive right hemihepatectomy (MI-RH). Methods: This is an international multicenter retrospective analysis of 1114 patients undergoing MI-RH, MI-RAS and MI-RPS at 21 centers between 2006-2019. MIS included pure laparoscopic, robotic or hybrid approach. A propensity matched and coarsened-exact matched analysis was performed. Results: 1100 cases met study criteria of whom 759 underwent laparoscopic, 283 robotic, 11 hand-assisted and 47 laparoscopic-assisted (hybrid surgery). There were 632 RH, 373 RPS and 95 RAS. There were no differences in baseline characteristics after matching. In the MI-RAS/MI-RPS group, median blood loss was higher (400 VS 300ml, p=0.001) as well as intraoperative blood transfusion (19.6% VS 10.7%, p=0.004). However, major morbidity was lower (7.1% VS 14.3%, p=0.007) and the need for reoperation was lower (1.4% VS 4.6%, p=0.029). The rate of close/involved margins was higher in the MI-RAS/MI-RPS group (23.4% VS 8.9%, p<0.001). These findings were consistent after both propensity and coarsened-exact matching. Conclusion: Although technically more demanding, MI-RAS/MI-RPS is a valuable alternative for MI-RH in right sided liver lesions with lower postoperative morbidity, possibly due to the preservation of parenchyma. However, the rate of close/involved margins is higher in these procedures. These findings might guide surgeons in selecting the appropriate procedure for their patients.Tabled 1EP01C-039TotalN = 1100Entire unmatched cohort1:1 Propensity matched cohort1:1 Coarsened-exact matched cohortMI-RA/RPSN = 468MI-RHN = 632P-valueMI-RA/RPSN = 280MI-RHN = 280P-value†MI-RA/RPSN = 188MI-RHN = 188P-value†Median blood loss (IQR), ml300 (200-600)400 (200-750)300 (200-500)0.001400 (200-750)300 (150-500)0.022400 (200-850)300 (120-500)0.001Intraoperative blood transfusion, n (%)169/1100 (15.4%)86/468 (18.4%)83/632 (13.1%)0.01755/280 (19.6%)30/280 (10.7%)0.00439/188 (20.7%)23/188 (12.2%)0.023Pringle maneuver applied, n (%)521/1084 (48.1%)276/466 (59.2%)245/618 (39.6%)<0.001179/278 (64.4%)102/277 (36.8%)<0.001114/187 (61.0%)67/187 (35.8%)<0.001Major morbidity (Clavien-Dindo grade> 2), n (%)129/1100 (11.7%)36/468 (7.7%)93/632 (14.7%)<0.00120/280 (7.1%)40/280 (14.3%)0.00714/188 (7.4%)22/188 (11.7%)0.139Reoperation, n (%)30/1100 (2.7%)5/468 (1.1%)25/632 (4.0%)0.0044/280 (1.4%)13/280 (4.6%)0.0293/188 (1.6%)10/188 (5.3%)0.02830-day mortality, n (%)12/1100 (1.1%)2/468 (0.4%)10/632 (1.6%)0.0682/280 (0.7%)2/280 (0.7%)1.0002/188 (1.1%)1/188 (0.5%)0.571Close/ involved margins (≤1mm) for malignancies, n (%)127/978 (13.0%)75/421 (17.8%)52/557 (9.3%)<0.00157/244 (23.4%)22/247 (8.9%)<0.00140/170 (23.5%)14/170 (8.2%)<0.001*P value in brackets were additionally obtained (as a sensitivity analysis) from mixed-effects negative binomial regression with robust variance, which treats length of stay as a count response, whereby a random-effects term was used to account for the paired data structure. The marginal model was used in the full (unmatched) cohort. The incidence rate ratios in the full cohort, PSM cohort, and CEM cohorts were 0.83 (95% CI 0.75 to 0.91), 0.87 (95% CI 0.77 to 0.98), and 0.85 (95% CI 0.75 to 0.96) respectively, indicating a shorter post-operative stay in the RAS/RPS arm compared to the RH arm.For categorical variables, denominators may differ from total numbers due to missing data Open table in a new tab *P value in brackets were additionally obtained (as a sensitivity analysis) from mixed-effects negative binomial regression with robust variance, which treats length of stay as a count response, whereby a random-effects term was used to account for the paired data structure. The marginal model was used in the full (unmatched) cohort. The incidence rate ratios in the full cohort, PSM cohort, and CEM cohorts were 0.83 (95% CI 0.75 to 0.91), 0.87 (95% CI 0.77 to 0.98), and 0.85 (95% CI 0.75 to 0.96) respectively, indicating a shorter post-operative stay in the RAS/RPS arm compared to the RH arm. For categorical variables, denominators may differ from total numbers due to missing data

Modulation of Non-Covalent Wet Adhesion and Cohesion Via Proximally Immobilized Non-Lysine Pair Structure

Modulation of Non-Covalent Wet Adhesion and Cohesion Via Proximally Immobilized Non-Lysine Pair Structure

Density functional theory on ionic liquid as carbonate scale dissolver in petroleum pipelines

The carbonate scale is the common oilfield scale found in the petroleum pipeline, which will cause flow assurance problems. In the purpose to conquer this problem, the alternative approach is to use ionic liquids (ILs) particularly in dissolving carbonate scale. The main objective of this study is to determine the effective ILs to dissolve carbonate scale in petroleum pipelines, and to evaluate the effect of intermolecular interaction in ILs toward their properties such as dissolution capabilities. The density functional theory (DFT) calculation is used to investigate the intermolecular interaction of a series of different ion pair, namely cations and anions-based of ILs with carbonate ion. All the calculations are completed by Gaussian software at the hybrid Becke 3-Lee-Yang-Parr (B3LYP) level using the 6-311++G(d, p) basis set. The optimized structure of carbonate ion and ion pairs of ILs have been obtained from the calculation which was further complemented by harmonic vibrational frequency, binding energies, bond type, bond order, and natural bond orbital (NBO). The binding energy for the cation and anion-based ILs are obtained where the ammonium ion is −302.2627 kJ/mol and tetrafluoroborate ion is −562.9194 kJ/mol which depict to have the highest value compare to others. Both of them are made up of the single bond and are characterized as the polar covalent bond. The NBO analysis pointed out the higher second-order perturbation energy, E (2) for ammonium ion is at a lone pair, LP (1) N 9 to antibonding sigma, BD*(1) O 3H 6 while BF4 ion is at lone pair LP (3) F 2 to antibonding lone pair, LP*(1) Ca 6. The selective ILs, ammonium tetrafluoroborate shown the higher negative binding energy which is −371.93 kJ/mol having the same nature of bond type and bond order from the findings in cation and anion-based ILs.

Study on the leakage of plunger pair under static condition in high-pressure common rail injector considering deformation effect

Plunger pair is the key component of high pressure common rail injector and its sealing performance is very important. Therefore, it is of great significance to study the leakage mechanism of plunger pair. Under static condition, the high-pressure fuel flow in the gap of the plunger pair caused the deformation of the plunger pair structure and the temperature rise of fuel. For a more comprehensive and accurate study, the effect of deformation, including elastic deformation and thermal expansion, the physical properties of fuel, including density, viscosity and specific heat capacity, as well as the influence of plunger posture in the plunger sleeve, including concentric, eccentric, and inclination condition, are considered in this paper. Firstly, the mathematical models including Reynolds equation, film thickness equation, non-isothermal flow equation, parametric equation of fuel physical property, and section velocity equation are established. The numerical analysis based on finite difference method for the solution of these models is given, which can simultaneously solve for the fuel film pressure distribution, temperature distribution, thickness distribution, distribution of fuel physical properties, and leakage rate. The models are validated by comparing the calculated leakage rates with the measurements. The effects under different posture of plunger are discussed too. Some of the conclusions provided good guidance for the design of high-pressure common rail injector.

Point defect induced incommensurate dipole moments in the KCa2Nb3O10 Dion-Jacobson layered perovskite

Local structural distortions due to isolated atomic defects and defect complexes strongly affect the macroscopic properties of oxide ceramics. While the characterization of local defect structures is more common in simple $\mathrm{AB}{\mathrm{O}}_{3}$ perovskites, unambiguous determination of the same in layered perovskites is more difficult due to their complex crystal structures. Here, we combined x-ray pair distribution function and density functional theory calculations to characterize the structure of cation-oxygen divacancy pairs in a Dion-Jacobson (D-J) layered perovskite. Our results indicate that local incommensurate dipole moments with polarization density in the range of $\ensuremath{\sim}0.1--17\phantom{\rule{0.16em}{0ex}}\ensuremath{\mu}\mathrm{C}/\mathrm{c}{\mathrm{m}}^{2}$ are created due to divacancy-induced structural distortions in the D-J phase $\mathrm{K}{\mathrm{Ca}}_{2}{\mathrm{Nb}}_{3}{\mathrm{O}}_{10}$. This is comparable with defect dipole moments observed in well-known perovskite ferroelectrics. The current results imply that controlling the atomic defects can potentially lead to significant control of dielectric properties in D-J layered perovskites.

Synthesis and characterization of magnetic ZnFe2O4/Bi0-Bi2MoO6 with Z-scheme heterojunction for antibiotics degradation under visible light

A novel ZnFe 2 O 4 /Bi 0 -Bi 2 MoO 6 heterojunction photocatalyst, with high catalytic activity for tetracycline hydrochloride (TC), was synthesized and evaluated. Notably, this ternary composite showed higher degradation rate than pure Bi 2 MoO 6 and ZnFe 2 O 4 . Based on the characterization results, a possible mechanism of electron transmission was proposed. • A novel ZnFe 2 O 4 /Bi 0 -Bi 2 MoO 6 photocatalyst was synthesized with Z-scheme heterojunction. • Metal defect was created by the reduction of Bi 3+ via the liquid phase reduction method. • The surface plasmon resonance effect improves the ability of the catalyst to absorb visible light. • The catalyst shows excellent cycle stability and magnetic. In this work, a novel magnetic ZnFe 2 O 4 /Bi 0 -Bi 2 MoO 6 with Z-scheme heterojunction photocatalyst was successfully synthesized via a solvothermal-liquid phase reduction method. The structure, composition, morphology and optical property of the ternary photocatalyst were characterized. All the ZnFe 2 O 4 /Bi 0 -Bi 2 MoO 6 composites with different ZnFe 2 O 4 content showed enhanced visible-light photocatalytic activity for tetracycline hydrochloride (TC) degradation compared to pure Bi 2 MoO 6 and Bi 0 -Bi 2 MoO 6 . The maximum degradation rate for TC via 30%-ZnFe 2 O 4 /Bi 0 -Bi 2 MoO 6 reached 86.32% after 60 min reaction, and its kinetic constant is about 6.44 times than that of Bi 2 MoO 6 . Meanwhile, the ternary catalyst also has salt resistance and alkali resistance, and it also has good photocatalytic activity for norfloxacin and levofloxacin hydrochloride. Besides, ZnFe 2 O 4 /Bi 0 -Bi 2 MoO 6 was easy to be separated by an external magnetic field and steadily reused for several times. The characterization indicated that the improved activity of ZnFe 2 O 4 /Bi 0 -Bi 2 MoO 6 was mainly due to the formation of heterojunction and the surface plasmon resonance (SPR) effect, resulting in the wider spectrum response range, more stable structure and lower recombination rate of electron-hole pair. Trapping experiments and SPR tests showed that h + and O 2 − were the main active substances in the process of degrading TC by ZnFe 2 O 4 /Bi 0 -Bi 2 MoO 6 . Additionally, a possible Z-scheme heterojunction electron transfer mechanism was proposed. This work provide an idea for the use of magnetic photocatalysts with recycling stability to treat TC.

Examination of Viscosity Effect on Cavitating Flow inside Poppet Valves Based on a Numerical Study

The higher susceptibility to cavitation in poppet valves due to the lower viscosity of water than the traditionally used mineral oil poses a challenge in fluid transmission technology. To reveal the underlying mechanism of cavitating flow physics associated with the variation in viscosity effect, the current paper examines both the water and oil cavitating flow dynamics inside poppet valves with varied structures through a numerical study. The simulation results are validated with a comparison to previous experimental data in terms of cavitation morphology and pressure distribution. According to the predicted cavitation distribution, three kinds of cavitation occurred at separated positions in both water- and oil-flow cases. The vortex cavitation, which in the oil-flow case displays a remarkable paired structure with favorable coherence, is featured with a scattered dispersion in the water-flow case, while the profound attached cavitation at the poppet trailing edge in the water-flow case almost disappears in the oil-flow case. Furthermore, the attached cavitation within the chamfered groove has higher stability in the oil-flow case, compared to the thorough detachment behavior featured with profound 3-dimensionality in the water-flow case. According to the potential core and vortex evolution, the strong 3-dimensionality due to the violent laminar-turbulent transition in the water-flow case together with the produced puff pattern of the potential core, to a large extent, interrupts the periodic behavior of cavitation, which is essentially preserved in the oil-flow case featured with favorable coherence.

Limits and potential of combined folding and docking.

MotivationIn the last decade, de novo protein structure prediction accuracy for individual proteins has improved significantly by utilising deep learning (DL) methods for harvesting the co-evolution information from large multiple sequence alignments (MSAs). The same approach can, in principle, also be used to extract information about evolutionary-based contacts across protein–protein interfaces. However, most earlier studies have not used the latest DL methods for inter-chain contact distance prediction. This article introduces a fold-and-dock method based on predicted residue-residue distances with trRosetta.ResultsThe method can simultaneously predict the tertiary and quaternary structure of a protein pair, even when the structures of the monomers are not known. The straightforward application of this method to a standard dataset for protein–protein docking yielded limited success. However, using alternative methods for generating MSAs allowed us to dock accurately significantly more proteins. We also introduced a novel scoring function, PconsDock, that accurately separates 98% of correctly and incorrectly folded and docked proteins. The average performance of the method is comparable to the use of traditional, template-based or ab initio shape-complementarity-only docking methods. Moreover, the results of conventional and fold-and-dock approaches are complementary, and thus a combined docking pipeline could increase overall docking success significantly. This methodology contributed to the best model for one of the CASP14 oligomeric targets, H1065. Availability and implementationAll scripts for predictions and analysis are available from https://github.com/ElofssonLab/bioinfo-toolbox/ and https://gitlab.com/ElofssonLab/benchmark5/. All models joined alignments, and evaluation results are available from the following figshare repository https://doi.org/10.6084/m9.figshare.14654886.v2.Supplementary information Supplementary data are available at Bioinformatics online.

Collective Resonances of a Twisted Plasmonic Array Pair

Plasmonic SLR (surface lattice resonance) has sharp and intense extinction or absorption peaks, which facilitates a variety of optical and spectral applications, e.g., optical filters, absorbers, reflectors, sensors, etc. In this work, we propose a plasmonic array pair structure composed of two stacked finite square array panels. By twisting it, its plasmonic SLR changes, since the break of periodicity alters the inter-layer plasmonic coupling. Numerical simulation is carried out using the DDA (discrete dipole approximation) method. Simulation results show that its optical properties such as extinction spectra/absorption spectra change dramatically when the two-layer structure is twisted by only a small angle. More interestingly, two resonance peaks at different wavelengths show an inverse trend while twisting, one gets lower and broader, while the other gets higher and narrower. Dipole mapping of amplitude and phase is checked to reveal the plasmonic coupling under twist. The influence of environment/material permittivity on spectra is also examined. Results introduced in this work may work as a scientific tool to reveal more properties of plasmonic SLR and can serve as an angle sensor, tunable optical filter, chiral sensor, etc.

Strong and almost strong modes of Floquet spin chains in Krylov subspaces

Integrable Floquet spin chains are known to host strong zero and $\pi$ modes which are boundary operators that respectively commute and anticommute with the Floquet unitary generating stroboscopic time-evolution, in addition to anticommuting with a discrete symmetry of the Floquet unitary. Thus the existence of strong modes imply a characteristic pairing structure of the full spectrum. Weak interactions modify the strong modes to almost strong modes that almost commute or anticommute with the Floquet unitary. Manifestations of strong and almost strong modes are presented in two different Krylov subspaces. One is a Krylov subspace obtained from a Lanczos iteration that maps the time-evolution generated by the Floquet Hamiltonian onto dynamics of a single particle on a fictitious chain with nearest neighbor hopping. The second is a Krylov subspace obtained from the Arnoldi iteration that maps the time-evolution generated directly by the Floquet unitary onto dynamics of a single particle on a fictitious chain with longer range hopping. While the former Krylov subspace is sensitive to the branch of the logarithm of the Floquet unitary, the latter obtained from the Arnoldi scheme is not. The effective single particle models in the Krylov subspace are discussed, and the topological properties of the Krylov chain that ensure stable $0$ and $\pi$ modes at the boundaries are highlighted. The role of interactions is discussed. Expressions for the lifetime of the almost strong modes are derived in terms of the parameters of the Krylov subspace, and are compared with exact diagonalization.

Recent Advances in Ternary Organic Solar Cells Based on Förster Resonance Energy Transfer

Recently, Förster resonance energy transfer (FRET)‐based strategy has been successfully applied to promote the efficiencies of ternary blend organic solar cells (TOSCs). However, the intrinsic mechanism of FRET in the observed enhancement of efficiency has not been deconvolved unambiguously due to the complex photophysics mechanism. In this review, by deeply analyzing recent examples of FRET‐incorporated TOSCs, diverse framework structures of FRET pairs are summarized, then the theory, prerequisites, and the confirmation methods for FRET are discussed. In particular, the role of FRET theory in the photoconversion process is discussed in detail, including exciton harvesting, exciton diffusion, and charge generation. Finally, the existing challenges and future research directions of FRET applications in TOSCs are proposed.

Neuromorphology in-sensor computing architecture based on an optical Fourier transform.

We propose an object recognition architecture relying on a neural network algorithm in optical sensors. Precisely, by applying the high-speed and low-power Fourier transform operation in the optical domain, we can transfer the high-cost part of the traditional convolutional neural network algorithm to the sensor side to achieve faster computing speed. An optical neuron unit (ONU) consisting of transition metal sulfide (TMD) material is fabricated for a vivid validation of this architecture. Using the embedded gate pair structure inside our ONU, TMD materials can be electrically doped at different levels, forming an in-plane PN junction, which allows for effective manipulation of light response to imitate biological nerve synapses. The results demonstrate that our ONU could reach the ability of optic neurons, providing experimental support for future in-sensor computing architecture.

On the CuO-Mn2O3 oxide-pair in CuMnOx multi-oxide complexes: Structural and catalytic studies

The current work provide a new understanding on the active site of CuMnOx catalysts and thus offer a new perspective in the development of highly effective and low cost CuMnOx catalysts for heterogeneous catalytic oxidation reactions. A series of dual-component copper-manganese multi-oxide catalysts (CuMnOx) have been successfully synthesized using a surfactant assisted hydrolysis-hydrothermal method and studied by XRD, N2 adsorption–desorption test, ICP-AES, SEM, Aberration-corrected HADDF-STEM, HRTEM, FT-IR, Raman, XPS, H2-TPR. These CuMnOx catalysts were found to be composed with uniform CuO-Mn2O3 oxide pair structure, in which highly isolated/dispersed CuO species are anchored in the framework of Mn2O3. It was found that the speciation in these CuMnOx catalysts presents a shift from highly isolated or even single Cu2+ oxide species (Cu2+Ox) to CuO nanoclusters and CuO microcrystalline with increasing Cu content. In CO oxidation reaction, which was employed to probe the structure of the CuO-Mn2O3 oxide pairs in these CuMnOx catalysts, the Cu-O-Mn sites in those CuMnOx catalysts with highly isolated or highly dispersed CuO species were found to be highly active. For CuO-Mn2O3 oxide pair catalysts, the highly isolated/dispersed CuO species in Mn2O3 framework is essential to achieve high activity.

A Highly Robust Binary Neural Network Inference Accelerator Based on Binary Memristors

Since memristor was found, it has shown great application potential in neuromorphic computing. Currently, most neural networks based on memristors deploy the special analog characteristics of memristor. However, owing to the limitation of manufacturing process, non-ideal characteristics such as non-linearity, asymmetry, and inconsistent device periodicity appear frequently and definitely, therefore, it is a challenge to employ memristor in a massive way. On the contrary, a binary neural network (BNN) requires its weights to be either +1 or −1, which can be mapped by digital memristors with high technical maturity. Upon this, a highly robust BNN inference accelerator with binary sigmoid activation function is proposed. In the accelerator, the inputs of each network layer are either +1 or 0, which can facilitate feature encoding and reduce the peripheral circuit complexity of memristor hardware. The proposed two-column reference memristor structure together with current controlled voltage source (CCVS) circuit not only solves the problem of mapping positive and negative weights on memristor array, but also eliminates the sneak current effect under the minimum conductance status. Being compared to the traditional differential pair structure of BNN, the proposed two-column reference scheme can reduce both the number of memristors and the latency to refresh the memristor array by nearly 50%. The influence of non-ideal factors of memristor array such as memristor array yield, memristor conductance fluctuation, and reading noise on the accuracy of BNN is investigated in detail based on a newly memristor circuit model with non-ideal characteristics. The experimental results demonstrate that when the array yield α ≥ 5%, or the reading noise σ ≤ 0.25, a recognition accuracy greater than 97% on the MNIST data set is achieved.

Influence of Magnesium on the Structure of Complex Multicomponent Silicates: Insights from Molecular Simulations and Neutron Scattering Experiments.

A series of multicomponent glasses containing up to five oxides are studied using classical molecular dynamics simulations and neutron scattering experiments. The focus is on the role of magnesium in determining the structural properties of these glasses and the possible mixed effect during a sodium/magnesium substitution. Calculated structure functions (pair correlation function and structure factor) rather accurately reproduce their experimental counterpart, and we show that more fine structural features are qualitatively reproduced well, despite some discrepancies in the preferential spatial distribution between sodium and magnesium to aluminum and boron, as well as the nonbridging oxygen, distribution. The simulated systems offer a solid basis to support previous experimental findings on the composition-structure relationship, allowing for further analysis and property calculation. It is confirmed that the substitution of sodium by magnesium leads to the decrease of four-fold boron and a modification of the alkali coordinations with a significant change of the network structure. Specifically, magnesium coordination extracted from numerical simulations highlights a potential dissociation from penta- to tetra- and hexahedral units with increasing MgO contents along the glass series, which could not be resolved experimentally.

Ion Pair Supramolecular Structure Identified by ATR-FTIR Spectroscopy and Simulations in Explicit Solvent*.

The present work uses ATR-FTIR spectroscopy assisted by simulations in explicit solvent and frequency calculations to investigate the supramolecular structure of carboxylate alkali-metal ion pairs in aqueous solutions. ATR-FTIR spectra in the 0.25-4.0 M concentration range displayed cation-specific behaviors, which enabled the measurement of the appearance concentration thresholds of contact ion pairs between 1.9 and 2.6 M depending on the cation. Conformational explorations performed using a non-local optimization method associated to a polarizable force-field (AMOEBA), followed by high quantum chemistry level (RI-B97-D3/dhf-TZVPP) optimizations, mode-dependent scaled harmonic frequency calculations and electron density analyses, were used to identify the main supramolecular structures contributing to the experimental spectra. A thorough analysis enables us to reveal the mechanisms responsible for the spectroscopic sensitivity of the carboxylate group and the respective role played by the cation and the water molecules, highlighting the necessity of combining advanced experimental and theoretical techniques to provide a fair and accurate description of ion pairing.

Conformal Field Theories with Sporadic Group Symmetry

The monster sporadic group is the automorphism group of a central charge $c=24$ vertex operator algebra (VOA) or meromorphic conformal field theory (CFT). In addition to its $c=24$ stress tensor $T(z)$, this theory contains many other conformal vectors of smaller central charge; for example, it admits $48$ commuting $c=\frac12$ conformal vectors whose sum is $T(z)$. Such decompositions of the stress tensor allow one to construct new CFTs from the monster CFT in a manner analogous to the Goddard-Kent-Olive (GKO) coset method for affine Lie algebras. We use this procedure to produce evidence for the existence of a number of CFTs with sporadic symmetry groups and employ a variety of techniques, including Hecke operators, modular linear differential equations, and Rademacher sums, to compute the characters of these CFTs. Our examples include (extensions of) nine of the sporadic groups appearing as subquotients of the monster, as well as the simple groups ${}^2{E}_6(2)$ and ${F}_4(2)$ of Lie type. Many of these examples are naturally associated to McKay's $\widehat{E_8}$ correspondence, and we use the structure of Norton's monstralizer pairs more generally to organize our presentation.

Structure analysis of aqueous Mg(NO3)2 solutions

An increasing amount of research has investigated whether direct contact ion pairs (CIP) exist in magnesium nitrate solutions. In this work, the relationship between the concentration and microstructure, as well as the details of the ion pair structure in magnesium nitrate solutions were studied by Raman spectroscopy, molecular dynamics (MD) simulations, and density functional theory (DFT) calculations. Component analysis showed that solvent-shared ion pairs (SIPs) and free hydrated ions were the dominant species in dilute solution. SIPs gradually transformed into contact ion pairs as the concentration increased. Complex structures and CIPs were the main species when WSR < 10, and as the concentration further increased, the CIP content gradually decreased, while the number of complex structures gradually increased. MD simulations and DFT calculations provide a new understanding of the structural units of ion pairs in magnesium nitrate solutions. The SIPs and CIPs were mainly composed of cationic triple ion clusters with two magnesium ions and one nitrate ion. The nitrate ion mainly existed as monodentate ligand to form a CIP with the magnesium ion. As the solution concentration increased, triple ion clusters gradually transformed into more complex chain structures. The structural complexity of magnesium nitrate solutions deserves further attention.

C,C- and C,N-Chelated Organocopper Compounds.

Copper-catalyzed and organocopper-involved reactions are of great significance in organic synthesis. To have a deep understanding of the reaction mechanisms, the structural characterizations of organocopper intermediates become indispensable. Meanwhile, the structure-function relationship of organocopper compounds could advance the rational design and development of new Cu-based reactions and organocopper reagents. Compared to the mono-carbonic ligand, the C,N- and C,C-bidentate ligands better stabilize unstable organocopper compounds. Bidentate ligands can chelate to the same copper atom via η2-mode, forming a mono-cupra-cyclic compounds with at least one acute C-Cu-C angle. When the bidentate ligands bind to two copper atoms via η1-mode at each coordinating site, the bimetallic macrocyclic compounds will form nearly linear C-Cu-C angles. The anionic coordinating sites of the bidentate ligand can also bridge two metals via μ2-mode, forming organocopper aggregates with Cu-Cu interactions and organocuprates with contact ion pair structures. The reaction chemistry of some selected organocopper compounds is highlighted, showing their unique structure–reactivity relationships.

Morphological differences in the commissural connections of the forebrain in white outbred mice and BALB/C mice

BACKGROUND: The study of the mechanisms of interaction of paired structures of the mammalian brain is a fundamental problem of modern neuroscience, which is of great applied importance. Even mild underdevelopment of the corpus callosum in humans can lead to autism. It is known that the intensity of intraspecific interactions in BALB/c mice is lower than in white outbred ones, while some BALB/c substrains are characterized by underdevelopment of the corpus callosum.&#x0D; AIM: To compare the morphological parameters of the large brain commissures in white outbred mice and BALB/c mice grown in the Rappolovo nursery (Leningrad region).&#x0D; MATERIALS AND METHODS: The morphology of the corpus callosum was studied in 13 male white outbred mice and 7 male BALB/c mice at the age of 8 months.&#x0D; RESULTS: In mice of both subpopulations, the area of the anterior commissure of the left hemisphere was smaller than that of the right hemisphere (p 0.05). There were no differences between subpopulations in this parameter. The area of the left section of the corpus callosum trunkus in outbred mice was larger than the right one (p 0.001), while in BALB/c mice the areas of the left and right slices did not differ. Despite the absence of significant differences in the area of the anterior part (rostrum et genu) of the corpus callosum the density of the location of oligodendrocytes in this brain structure in the mice of the two subpopulations was different. The number of oligodendrocytes in 0.01 mm2 on the left section of the anterior part of the corpus callosum in BALB/c mice was greater than in white outbred mice (p 0.05). A similar trend was revealed when comparing slices of the right hemisphere (p = 0.065).&#x0D; CONCLUSIONS: The large area of the right parasagittal slice of the anterior commissure suggests that some of its constituent fibers do not cross the midline, but end within the same hemisphere, which may be the morphological basis for the functional dominance of the temporal cortex of the left hemisphere in mice of both subpopulations. The corpus callosum in BALB/c mice is developed symmetrically, and in white outbred ones asymmetrically. This feature may be the morphological basis for the functional dominance of the parietal cortex of the right hemisphere in outbred animals.