Synthesis and Crystal Structure of Zinc(II) Complex with Isonicotinate Containing a Three-dimensional Hydrogen-bond Network

A zinc complex, [Zn(iso)_2(H_2O)_4](iso=C_6H_4NO_2^-), was synthesized and characterized by elemental analysis, thermal analysis and IR spectrum studies. The crystal structure of the complex was determined by X-ray diffraction. The crystal crystallizes in the triclinic system, molecular formula ZnC12H16N2O8, Mr=381.64, space group P with a = 6.338(1), b =6.919(1), c=9.277(1), α=96.28(1), β=104.91(1), γ=112.85(1)°, V=352.12(9)?3, Z=1, Dc=1.80g?cm-3 and F(000)=196, μ =1.791mm-1. The crystal structure was solved by direct methods for final R=0.0204 and Rw=0.0542 for 1258 observed reflections with [Fo>4σ(Fo)]. The crystal structure reveals that zinc ion is trans-octahedral with two pyridyl nitrogens and two aque oxygens at the equational positions and two aqua oxygens at the axial positions. The complex forms a three-dimensional network through intermolecular hydrogen bonds.

An intravenous clarithromycin lipid emulsion with a high drug loading, H-bonding and a hydrogen-bonded ion pair complex exhibiting excellent antibacterial activity

The aim of this study was to develop an intravenous clarithromycin lipid emulsion(CLE)with good stability and excellent antibacterial activity. The CLE was prepared by the thinfilm dispersed homogenization method. The interaction between clarithromycin(CLA) and cholesteryl hemisuccinate(CHEMS) was confirmed by DSC, FT-IR and^1H NMR analysis. The interfacial drug loading, thermal sterilization, freeze–thaw stability, and in vitro and in vivo antibacterial activity were investigated systematically. DSC, FT-IR and^1H NMR spectra showed that CHEMS(CLA: CHEMS, M ratio 1:2) could interact with CLA through H-bonding and a hydrogen-bonded ion pair. The CHEMS was found necessary to maintain the stability of CLE.Ultracentrifugation showed that almost 88% CLA could be loaded into the interfacial layer.The optimized CLE formulation could withstand autoclaving at 121 °C for 10 min and remain stable after three freeze–thaw cycles. The in vitro susceptibility test revealed that the CLA–CHEMS ion-pair and CLE have similar activity to the parent drug against many different bacterial strains. The in vivo antibacterial activity showed that the ED50 of intravenous CLE was markedly lower than that of CLA solution administrated orally. CLE exhibited pronounced antibacterial activity and might be a candidate for a new nanocarrier for CLA with potential advantages over the current commercial formulation.

Synthesis and Crystal Structure of a Mixed-ligand Manganese(Ⅱ) Complex Containing Abundant Hydrogen-bonding Interactions

A new mixed-ligand Mn（II）complex,namely [Mn（bipy）2（Huca）]·5H2O（1,bipy = 2,2＇-bipyridine,and H3uca = uracil-5-carboxylic acid）has been prepared and characterized by single-crystal X-ray diffraction,FT-IR spectroscopy and thermogravimetric analysis.It crystallizes in monoclinic,space group C2/c with a = 23.597（8）,b = 16.434（5）,c = 15.531（6）,β = 112.785（6）o,C25H28MnN6O9,Mr = 611.47,V = 5553（3）3,Z = 8,μ = 0.538,Dc = 1.463 g/cm3,F（000）= 2536,R = 0.0441 and wR = 0.1230 for all 5227 observed reflections（I 2σ（I））.The manganese（II）center is surrounded by three bidentate chelating ligands,and it displays a severely distorted octahedral geometry,with cis angles ranging from 72.14（6）to 109.78（6）o.Extensive intermolecular hydrogen bonds link the [Mn（bipy）2（Huca）] monomers and lattice water molecules to yield a three-dimensional supramolecular framework.TGA shows complete removal of all lattice water molecules above 270 ℃.

A Novel Hydrogen-bonded Three-dimensional Network Complex Containing Nickel

A novel complex, (H 3O) 2[Ni(2,6-pydc) 2]·2H 2O was synthesized in an aqueous solution and characterized by means of single-crystal X-ray diffraction, elemental analyses and IR spectra. The X-ray structural analysis revealed that the novel compound forms three-dimensional(3D) networks by both π-π stacking and hydrogen-bonding interactions. The crystal data for the complex are a=13.853(3) nm, b=9.6892(19) nm, c=13.732(3) nm, α=90.00°, β=115.52(3)°, γ=90.00°, Z=3, R 1=0.0786, wR 2=0.1522.

Synthesis and Extended 3D Hydrogen-bonded Structure of Complex Tris(violurato-N,O) Cobalt(III) Hexahydrate

The cobalt（Ⅲ） violurato complex （[Co（C4H2N3O4）3]·6H2O, Mr = 635.28） has been prepared and structurally characterized. The crystal is of monoclinic, space group P2 1/n with a = 10.176（1）, b = 11.8010（9）, c = 19.706（2） A°, β= 97.382（3）°, V= 2346.9（4）A°^3, Z = 4, Dc= 1.798 g/cm^3, F（000） = 1296, μ = 0.839 mm^-1, R = 0.0482 and wR = 0.1357. The Co atom in the title compound is six- coordinated by three carbonyl O atoms and three oximido N atoms of three violurato ligands, forming an octahedral coordination geometry. The neighboring molecules are connected together by hydrogen bonds of N-H…O, O-H…O and O-H…N, forming an extended three-dimensional supra- molecular architecture.

Discovery of nano organo-clay complex pore-fractures in shale and its scientific significance:A case study of Cretaceous Qingshankou Formation shale,Songliao Basin,NE China

A new pore type,nano-scale organo-clay complex pore-fracture was first discovered based on argon ion polishing-field emission scanning electron microscopy,energy dispersive spectroscopy and three-dimensional reconstruction by focused ion-scanning electron in combination with analysis of TOC,R_(o)values,X-ray diffraction etc.in the Cretaceous Qingshankou Formation shale in the Songliao Basin,NE China.Such pore characteristics and evolution study show that:(1)Organo-clay complex pore-fractures are developed in the shale matrix and in the form of spongy and reticular aggregates.Different from circular or oval organic pores discovered in other shales,a single organo-clay complex pore is square,rectangular,rhombic or slaty,with the pore diameter generally less than 200 nm.(2)With thermal maturity increasing,the elements(C,Si,Al,O,Mg,Fe,etc.)in organo-clay complex change accordingly,showing that organic matter shrinkage due to hydrocarbon generation and clay mineral transformation both affect organo-clay complex pore-fracture formation.(3)At high thermal maturity,the Qingshankou Formation shale is dominated by nano-scale organo-clay complex pore-fractures with the percentage reaching more than 70%of total pore space.The spatial connectivity of organo-clay complex pore-fractures is significantly better than that of organic pores.It is suggested that organo-complex pore-fractures are the main pore space of laminar shale at high thermal maturity and are the main oil and gas accumulation space in the core area of continental shale oil.The discovery of nano-scale organo-clay complex pore-fractures changes the conventional view that inorganic pores are the main reservoir space and has scientific significance for the study of shale oil formation and accumulation laws.

Modeling time-dependent mechanical behavior of hard rock considering excavation-induced damage and complex 3D stress states

To investigate the long-term stability of deep rocks,a three-dimensional(3D)time-dependent model that accounts for excavation-induced damage and complex stress state is developed.This model comprises three main components:a 3D viscoplastic isotropic constitutive relation that considers excavation damage and complex stress state,a quantitative relationship between critical irreversible deformation and complex stress state,and evolution characteristics of strength parameters.The proposed model is implemented in a self-developed numerical code,i.e.CASRock.The reliability of the model is validated through experiments.It is indicated that the time-dependent fracturing potential index(xTFPI)at a given time during the attenuation creep stage shows a negative correlation with the extent of excavationinduced damage.The time-dependent fracturing process of rock demonstrates a distinct interval effect of the intermediate principal stress,thereby highlighting the 3D stress-dependent characteristic of the model.Finally,the influence of excavation-induced damage and intermediate principal stress on the time-dependent fracturing characteristics of the surrounding rocks around the tunnel is discussed.

Clarifying the relationship between PM2.5 and ozone complex pollution and synoptic patterns in a typical petrochemical city in the Bohai Rim region of China:Implications for air pollution forecasting and control

Meteorological conditions are vital to PM_(2.5)and ozone(O_(3))complex pollution.Herein,the T-mode principal com-ponent analysis method was employed to objectively classify the 925-hPa geopotential height field of Dongying from 2017 to 2022.Synoptic patterns associated with four pollution types-namely,PM_(2.5)-only pollution,O_(3)-only pollution,Co-occurring of PM_(2.5)and O_(3)pollution,Non-occurring of PM_(2.5)and O_(3)pollution-were characterized at different time scales.The results indicated that synoptic classes conducive to PM_(2.5)-only pollution were“high-pressure top front”,“offshore high-pressure rear”,and“high-pressure inside”,while those conducive to O_(3)-only pollution were“offshore high-pressure rear”,“subtropical high”,and“high and low systems”.The Co-occurring of PM_(2.5)and O_(3)pollution were influenced by high pressure,and the Non-occurring of PM_(2.5)and O_(3)pollution were linked to precipitation and strong northerly winds.The variation in dominant synoptic patterns is crucial in the frequency changes of the four pollution types,which was further validated through the analysis of typical cases.Under the favorable meteorological conditions of high-pressure control with strong northerly winds or a subtropical high and inverted trough both with strong precipitation,there is potential to achieve coordinated control of PM_(2.5)and O_(3)in Dongying.Additionally,measures like artificially manipulating local humidity could be adopted to alleviate pollution levels.This study reveals the importance of comprehending the meteorological factors contributing to the formation of PM_(2.5)and O_(3)complex pollution for the improvement of urban air quality in the Bohai Rim region of China when emissions are high and the concentration of air pollutants exhibits high meteorological sensitivity.

Saturation Estimation with Complex Electrical Conductivity for Hydrate-Bearing Clayey Sediments:An Experimental Study

Clays have considerable influence on the electrical properties of hydrate-bearing sediments.It is desirable to understand the electrical properties of hydrate-bearing clayey sediments and to build hydrate saturation(S_(h))models for reservoir evaluation and monitoring.The electrical properties of tetrahydrofuran-hydrate-bearing sediments with montmorillonite are characterized by complex conductivity at frequencies from 0.01 Hz to 1 kHz.The effects of clay and Sh on the complex conductivity were analyzed.A decrease and increase in electrical conductance result from the clay-swelling-induced blockage and ion migration in the electrical double layer(EDL),respectively.The quadrature conductivity increases with the clay content up to 10%because of the increased surface site density of counterions in EDL.Both the in-phase conductivity and quadrature conductivity decrease consistently with increasing Sh from 0.50 to 0.90.Three sets of models for Sh evaluation were developed.The model based on the Simandoux equation outperforms Archie’s formula,with a root-mean-square error(E_(RMS))of 1.8%and 3.9%,respectively,highlighting the clay effects on the in-phase conductivity.The fre-quency effect correlations based on in-phase and quadrature conductivities exhibit inferior performance(E_(RMS)=11.6%and 13.2%,re-spectively)due to the challenge of choosing an appropriate pair of frequencies and intrinsic uncertainties from two measurements.The second-order Cole-Cole formula can be used to fit the complex-conductivity spectra.One pair of inverted Cole-Cole parameters,i.e.,characteristic time and chargeability,is employed to predict S_(h) with an E_(RMS) of 5.05%and 9.05%,respectively.

A novel complex-high-order graph convolutional network paradigm:ChyGCN

In recent years,there has been a growing interest in graph convolutional networks(GCN).However,existing GCN and variants are predominantly based on simple graph or hypergraph structures,which restricts their ability to handle complex data correlations in practical applications.These limitations stem from the difficulty in establishing multiple hierarchies and acquiring adaptive weights for each of them.To address this issue,this paper introduces the latest concept of complex hypergraphs and constructs a versatile high-order multi-level data correlation model.This model is realized by establishing a three-tier structure of complexes-hypergraphs-vertices.Specifically,we start by establishing hyperedge clusters on a foundational network,utilizing a second-order hypergraph structure to depict potential correlations.For this second-order structure,truncation methods are used to assess and generate a three-layer composite structure.During the construction of the composite structure,an adaptive learning strategy is implemented to merge correlations across different levels.We evaluate this model on several popular datasets and compare it with recent state-of-the-art methods.The comprehensive assessment results demonstrate that the proposed model surpasses the existing methods,particularly in modeling implicit data correlations(the classification accuracy of nodes on five public datasets Cora,Citeseer,Pubmed,Github Web ML,and Facebook are 86.1±0.33,79.2±0.35,83.1±0.46,83.8±0.23,and 80.1±0.37,respectively).This indicates that our approach possesses advantages in handling datasets with implicit multi-level structures.

Hydrogen-bonded organic framework modified separator for simultaneously enhancing the safety and electrochemical performance of Ni-rich lithium-ion battery

Nickel-rich layered oxide cathode(LiNi_(x)Co_(y)Mn_(1−x−y)O_(2),x>0.5,NCM)shows substantial potential for applications in longer-range electrical vehicles.However,the rapid capacity decay and serious safety concerns impede its practical viability.This work provides a hydrogen-bonded organic framework(HOF)modification strategy to simultaneously improve the electrochemical performance,thermal stability and incombustibility of separator.Melamine cyanurate(MCA),as a low-cost and reliable flame-retardant HOF,was implemented in the separator modification layer,which can prevent the battery short circuit even at a high temperature.In addition,the supermolecule properties of MCA provide unique physical and chemical microenvironment for regulating ion-transport behavior in electrolyte.The MCA coating layer enabled the nickel-rich layered oxide cathode with a high-capacity retention of 90.3%after 300 cycles at 1.0 C.Collectively,the usage of MCA in lithium-ion batteries(LIBs)affords a simple,low-cost and efficient strategy to improve the security and service life of nickel-rich layered cathodes.

Complexity Considerations in the Heisenberg Uncertainty Principle

This work introduces a modification to the Heisenberg Uncertainty Principle (HUP) by incorporating quantum complexity, including potential nonlinear effects. Our theoretical framework extends the traditional HUP to consider the complexity of quantum states, offering a more nuanced understanding of measurement precision. By adding a complexity term to the uncertainty relation, we explore nonlinear modifications such as polynomial, exponential, and logarithmic functions. Rigorous mathematical derivations demonstrate the consistency of the modified principle with classical quantum mechanics and quantum information theory. We investigate the implications of this modified HUP for various aspects of quantum mechanics, including quantum metrology, quantum algorithms, quantum error correction, and quantum chaos. Additionally, we propose experimental protocols to test the validity of the modified HUP, evaluating their feasibility with current and near-term quantum technologies. This work highlights the importance of quantum complexity in quantum mechanics and provides a refined perspective on the interplay between complexity, entanglement, and uncertainty in quantum systems. The modified HUP has the potential to stimulate interdisciplinary research at the intersection of quantum physics, information theory, and complexity theory, with significant implications for the development of quantum technologies and the understanding of the quantum-to-classical transition.

Three-dimensional magnetic reconnection in complex multiple X-point configurations in an ancient solar-lunar terrestrial system

Magnetic reconnection processes in three-dimensional(3D)complex field configurations have been investigated in different magneto-plasma systems in space,laboratory,and astrophysical systems.Two-dimensional(2D)features of magnetic reconnection have been well developed and applied successfully to systems with symmetrical property,such as toroidal fusion plasmas and laboratory experiments with an axial symmetry.But in asymmetric systems,the 3D features are inevitably different from those in the 2D case.Magnetic reconnection structures in multiple celestial body systems,particularly star-planet-Moon systems,bring fresh insights to the understanding of the 3D geometry of reconnection.Thus,we take magnetic reconnection in an ancient solar-lunar terrestrial magneto-plasma system as an example by using its crucial parameters approximately estimated already and also some specific applications in pathways for energy and matter transports among Earth,ancient Moon,and the interplanetary magnetic field(IMF).Then,magnetic reconnection of the ancient lunar-terrestrial magnetospheres with the IMF is investigated numerically in this work.In a 3D simulation for the Earth-Moon-IMF system,topological features of complex magnetic reconnection configurations and dynamical characteristics of magnetic reconnection processes are studied.It is found that a coupled lunar-terrestrial magnetosphere is formed,and under various IMF orientations,multiple X-points emerge at distinct locations,showing three typical magnetic reconnection structures in such a geometry,i.e.,the X-line,the triple current sheets,and the A-B null pairs.The results can conduce to further understanding of reconnection physics in 3D for plasmas in complex magnetic configurations,and also a possible mechanism for energy and matters transport in evolutions of similar astrophysical systems.

Synthesis and Physico-Chemical Characterizations of Novel Hydrazone Ligands and Their Metal Complexes against Hormone-Dependent and Independent Cancers

This work deals with the synthesis and physicochemical characterizations of a new group of novel retinoidal ligands and their metal complexes. Their in vitro anti-proliferative activities have shown that ligand L1 is effective against human breast cancer BT-20 and MCF-7 cell lines. At the same time, compound L2 exerts its effect on human prostate cancer PC-3 and human breast cancer MDA-MB-231 and MCF-7 cell lines respectively. The retinoid ligands exert their pleiotropic action toward retinoic acid receptors (RARs) than their metal complexes but all compounds exhibit concentration-dependent.

Magma Mixing Genesis of the Mafic Enclaves and Related Granitoids in the Kan Granite-Gneiss Complex of Central Côte d’Ivoire: Evidence from Geology, Petrology and Geochemistry

The mafic enclaves from Paleoproterozoic domain are considered to be the results of large-scale crust-mantle interaction and magma mixing. In this paper, petrography, mineralogy and geochemistry were jointly used to determine the origin of the mafic enclaves and their relationship with the host granitoids of the Kan granite-gneiss complex. This study also provides new information on crust-mantle interactions. The mafic enclaves of the Kan vary in shape and size and have intermediate chemical compositions. The diagrams used show a number of similarities in the major elements (and often in the trace elements) between the mafic enclaves and the host granitoids. Geochemical show that the Kan rock are metaluminous, enriched in silica, medium to high-K calc-alkaline I-type granite. The similarities reflect a mixing of basic and acid magma. Mafic enclaves have a typical magmatic structure, which is characterized by magma mixing. The genesis of these rocks is associated with the context of subduction. They result from the mixing of a mafic magma originating from the mantle and linked to subduction, and a granitic magma (type I granite) that arises from the partial melting of the crust.

Channel-Feedback-Free Transmission for Downlink FD-RAN:A Radio Map Based Complex-Valued Precoding Network Approach

As the demand for high-quality services proliferates,an innovative network architecture,the fully-decoupled RAN(FD-RAN),has emerged for more flexible spectrum resource utilization and lower network costs.However,with the decoupling of uplink base stations and downlink base stations in FDRAN,the traditional transmission mechanism,which relies on real-time channel feedback,is not suitable as the receiver is not able to feedback accurate and timely channel state information to the transmitter.This paper proposes a novel transmission scheme without relying on physical layer channel feedback.Specifically,we design a radio map based complex-valued precoding network(RMCPNet)model,which outputs the base station precoding based on user location.RMCPNet comprises multiple subnets,with each subnet responsible for extracting unique modal features from diverse input modalities.Furthermore,the multimodal embeddings derived from these distinct subnets are integrated within the information fusion layer,culminating in a unified representation.We also develop a specific RMCPNet training algorithm that employs the negative spectral efficiency as the loss function.We evaluate the performance of the proposed scheme on the public DeepMIMO dataset and show that RMCPNet can achieve 16%and 76%performance improvements over the conventional real-valued neural network and statistical codebook approach,respectively.

Ecological network analysis reveals complex responses of tree species life stage interactions to stand variables

Tree interactions are essential for the structure,dynamics,and function of forest ecosystems,but variations in the architecture of life-stage interaction networks(LSINs)across forests is unclear.Here,we constructed 16 LSINs in the mountainous forests of northwest Hebei,China based on crown overlap from four mixed forests with two dominant tree species.Our results show that LSINs decrease the complexity of stand densities and basal areas due to the interaction cluster differentiation.In addition,we found that mature trees and saplings play different roles,the first acting as“hub”life stages with high connectivity and the second,as“bridges”controlling information flow with high centrality.Across the forests,life stages with higher importance showed better parameter stability within LSINs.These results reveal that the structure of tree interactions among life stages is highly related to stand variables.Our efforts contribute to the understanding of LSIN complexity and provide a basis for further research on tree interactions in complex forest communities.

Interference in Complex CDMA-OFDM/OQAM for Better Performance at Low SNR

This article is about orthogonal frequency-division multiplexing with quadrature amplitude modulation combined with code division multiplexing access for complex data transmission. It aims to present a method which uses two interfering subsets in order to improve the performance of the transmission scheme. The idea is to spread in a coherent manner some data amongst two different codes belonging to the two different subsets involved in complex orthogonal frequency-division multiplexing with quadrature amplitude modulation and code division multiplexing access. This will improve the useful signal level at the receiving side and therefore improve the decoding process especially at low signal to noise ratio. However, this procedure implies some interference with other codes therefore creating a certain noise which is noticeable at high signal to noise ratio.

Squeeze and Excitation Convolution with Shortcut for Complex Plasma Image Recognition

Complex plasma widely exists in thin film deposition,material surface modification,and waste gas treatment in industrial plasma processes.During complex plasma discharge,the configuration,distribution,and size of particles,as well as the discharge glow,strongly depend on discharge parameters.However,traditional manual diagnosis methods for recognizing discharge parameters from discharge images are complicated to operate with low accuracy,time-consuming and high requirement of instruments.To solve these problems,by combining the two mechanisms of attention mechanism(strengthening the extraction of the channel feature)and shortcut connection(enabling the input information to be directly transmitted to deep networks and avoiding the disappearance or explosion of gradients),the network of squeeze and excitation convolution with shortcut(SECS)for complex plasma image recognition is proposed to effectively improve the model performance.The results show that the accuracy,precision,recall and F1-Score of our model are superior to other models in complex plasma image recognition,and the recognition accuracy reaches 97.38%.Moreover,the recognition accuracy for the Flowers and Chest X-ray publicly available data sets reaches 97.85%and 98.65%,respectively,and our model has robustness.This study shows that the proposed model provides a new method for the diagnosis of complex plasma images and also provides technical support for the application of plasma in industrial production.