Separate Mechanisms Research Articles

Action expectancy modulates activity in the mirror neuron system and mentalizing system

Action understanding involves two distinct processing levels that engage separate neural mechanisms: perception of concrete kinematic information and recognition of abstract action intentions. The mirror neuron system and the mentalizing system have both been linked to concrete action and abstract information processing, but their specific roles remain debatable. Here, we conducted a functional magnetic resonance imaging study with 26 participants who passively observed expected and unexpected actions. We performed whole-brain activation, region of interest, and effective connectivity analyses to investigate the neural correlates of these actions. Whole-brain activation analyses revealed that expected actions were associated with increased activation in the left medial superior frontal gyrus, while unexpected actions were linked to heightened activity in the left supramarginal gyrus, left superior parietal lobule, right inferior temporal gyrus, and left middle frontal gyrus. Region of interest analyses demonstrated that the left ventral premotor cortex exhibited greater activation during the observation of expected actions compared to unexpected actions, while the left inferior frontal gyrus, left superior parietal lobule, and left precuneus showed stronger activation during the observation of unexpected actions. Effective connectivity was observed between the left ventral premotor cortex and the left angular gyrus, left intraparietal sulcus, left dorsal premotor cortex, and left ventromedial prefrontal cortex with the middle frontal gyrus when observing unexpected, but not expected, actions. These findings suggest that expected actions are primarily processed by the mirror neuron system, whereas unexpected actions engage both the mirror neuron system and the mentalizing system, with these systems playing complementary roles in the understanding of unexpected actions.

Protein kinase N1 deficiency results in upregulation of cerebral energy metabolism and is highly protective in in vivo and in vitro stroke models

Background and aimWe recently identified protein kinase N1 (PKN1) as a master regulator of brain development. However, its function in the adult brain has not been clearly established. In this study, we assessed the cerebral energetic phenotype of wildtype (WT) and global Pkn1 knockout (Pkn1−/−) animals under physiological and pathophysiological conditions. MethodsCerebral energy metabolism was analyzed by 13C6-glucose tracing in vivo and real time seahorse analysis of extracellular acidification rates as well as mitochondrial oxygen consumption rates (OCR) of brain slice punches in vitro. Isolated WT and Pkn1−/− brain mitochondria were tested for differences in OCR with different substrates. Metabolite levels were determined by mass spectrometric analysis in brain slices under control and energetic stress conditions, induced by oxygen-glucose deprivation and reperfusion, an in vitro model of ischemic stroke. Differences in enzyme activities were assessed by enzymatic assays, western blotting and bulk RNA sequencing. A middle cerebral artery occlusion stroke model was used to analyze lesion volumes and functional recovery in WT and Pkn1−/− mice. ResultsPkn1 deficiency resulted in a remarkable upregulation of cerebral energy metabolism, in vivo and in vitro. This was due to two separate mechanisms involving an enhanced glycolytic flux and higher pyruvate-induced mitochondrial OCR. Mechanistically we show that Pkn1−/− brain tissue exhibits an increased activity of the glycolysis rate-limiting enzyme phosphofructokinase. Additionally, glucose-1,6-bisphosphate levels, a metabolite that increases mitochondrial pyruvate uptake, were elevated upon Pkn1 deficiency. Consequently, Pkn1−/− brain slices had more ATP and a greater accumulation of ATP degradation metabolites during energetic stress. This translated into increased phosphorylation and activity of adenosine monophosphate (AMP)-activated protein kinase (AMPK) during in vitro stroke. Accordingly, Pkn1−/− brain slices showed a post-ischemic transcriptional upregulation of energy metabolism pathways and Pkn1 deficiency was strongly protective in in vitro and in vivo stroke models. While inhibition of mitochondrial pyruvate uptake only moderately affected the protective phenotype, inhibition of AMPK in Pkn1−/− slices increased post-ischemic cell death in vitro. ConclusionThis is the first study to comprehensively demonstrate an essential and unique role of PKN1 in cerebral energy metabolism, regulating glycolysis and mitochondrial pyruvate-induced respiration. We further uncovered a highly protective phenotype of Pkn1 deficiency in both, in vitro and in vivo stroke models, validating inhibition of PKN1 as a promising new therapeutic target for the development of novel stroke therapies.

Simultaneous Triboelectric and Mechanoluminescence Sensing Toward Self‐Powered Applications

AbstractSimultaneous phenomena of triboelectricity and mechanoluminescence (ML) acquire vital insights into the mechanics of charge separation and recombination, as well as the relationship between mechanical stress and light emission. In the present work, polydimethylsiloxane (PDMS) and ZnS:Cu particle‐based composites are fabricated, which have good ML characteristics and can generate electricity via contact electrification. ML, in conjunction with a triboelectric nanogenerator (TENG), contributes by producing power from mechanical operations while also giving vital visual input in the form of light emission. This dual capability improves user awareness and efficiency in a variety of applications, making mechanical systems and wearable devices easier to monitor and optimize. To accomplish this, a single‐electrode mode silver (Ag) nanowires embedded PDMS‐ZnS: Cu‐based TENG device is developed and achieved an electrical output of 60 V, 395 nA, and 15 nC by using a linear motor. Furthermore, the combined ML and TENG device is employed in various cases of safety monitoring. This integration provides self‐powered devices that detect mechanical stress, delivering real‐time warnings and illumination signals for increased safety and communication in demanding conditions such as SOS signaling, underwater driving, deep mining, and sports.

Microstructural design of crown nanopores in graphene membrane for efficient desalination process

Designing a membrane with simultaneous high water permeability and desalination rate to overcome the trade-off presents a persistent and substantial challenge. In this paper, we employed molecular dynamics simulations to design the structure of the graphene crown ether reverse osmosis membrane and elucidate the relationship between the membrane's microscopic separation mechanism and its structure-activity.The results show that the water permeability through crown graphene nanopores exceeded that of the original graphene nanopores by an order of magnitude, and hundreds of times greater than that of the traditional reverse osmosis membrane. Additionally, the water permeation in multilayer crown graphene nanopores also surpassed that in monolayer original graphene nanopores. The water permeability exceeds 46.73 L/cm2/day/Mpa with 100 % salt rejection. Furthermore, the various sizes and shapes of graphene nanopores significantly influence water permeation. Within crown graphene nanopores, a narrow pore enables superior water permeation and salt rejection compared to a circular shape, unlike original graphene nanopores. Observed from MD simulation trajectories,this highly water permeation is caused by the hydrogen bonding between crown ether graphene and water molecules. First-principle calculations further confirm that water transport in graphene crown ether is energetically more favorable than in original graphene nanopores. Our findings support crown graphene membranes as promising candidates for seawater desalination.

Elucidating the separation role of C3N slit-pore on N2/CH4 in coalbed methane

A hybrid approach integrating molecular dynamics (MD) and Grand Canonical Monte Carlo (GCMC) simulations was employed to investigate the separation efficacy of N2/CH4 across various C3N slit apertures. MD simulations enabled the determination of separation selectivity and diffusion coefficients of N2/CH4, thereby aiding in the elucidation of the separation mechanism. On the other hand, GCMC simulations provided insights into the adsorption isotherms and isosteric heats of N2 and CH4 within the C3N slit. These findings reveal that the highest selectivity of N2 over CH4 occurs at the zigzag-edge C3N with a pore size of 6.2 Å. However, this selectivity is accompanied by the smallest diffusion coefficient, attributable to size sieving effects. As the pore diameter increases, more gas molecules can permeate into the pores, leading to a rise in both the maximum adsorption capacity and the isosteric heat of methane adsorption. With increasing pressure, gas molecules tend to reach saturation at higher pressure levels. Our study primarily centers on examining the separation of N2/CH4 across various C3N slit-pores, encompassing both adsorption and diffusion phenomena. These findings offer theoretical insights and comprehension for the experimental separation of coalbed methane utilizing cheaper carbon-based materials.

Expanding cyclodextrin use in normal phase and super/subcritical fluid chromatographic modes for the chiral separation of 1,4-dihydropyridines

Cyclodextrin-based stationary phases are important chiral selectors in liquid chromatography. These chiral selectors are most commonly used in the reversed-phase mode because native cyclodextrin assumes a torus conformation with a hydrophobic cavity, facilitating inclusion complexation in aqueous environments. However, the value of native and aliphatic-derivatized cyclodextrins in other modes, such as the normal phase liquid chromatography (NPLC) or super/subcritical fluid chromatography (SFC), remains unexplored. In this work, we report chiral separations of pharmaceutically relevant compounds with the 1,4-dihydropyridine (DHP) scaffold on a 2-hydroxypropyl-β-cyclodextrin (CD-RSP) stationary phase in NPLC and SFC modes. Although CD-RSP is conventionally considered only effective in the reversed-phase mode, we show that these compounds tend to separate better in other modes. This is particularly apparent for analytes with hydrogen-bonding moieties. We propose that the separation mechanism primarily depends on external adsorption rather than inclusion complexation. The negligible impact of a complexation-competitive additive on retention in non-aqueous modes further supports this claim. Additionally, van Deemter analysis demonstrated the efficiency and environmental benefit of using this stationary phase in the SFC mode, further highlighting the promise of aliphatic derivatized cyclodextrin stationary phases for greener separations.

Investigation of the effect of salts on dye wastewater separation performance in TpPa-1 membrane via molecular dynamics simulation

The rapid progress in science and technology increases the demand for dyes and results in the pollution of dye wastewater. Recently, covalent organic frameworks (COFs) have been suggested as a promising candidate for wastewater treatment. The influence of inorganic salt ions on the transport and separation processes of dye wastewater is poorly understood. In this work, the transport and separation mechanisms of dyes are investigated via nonequilibrium molecular dynamics simulations (NEMD). It is found that the inorganic salts enhance the rejection rate of different dyes in TpPa-1 membranes. The fundamental reason for this phenomenon is the hindrance caused by inorganic salt ions, which change the orientation of dye molecules as they pass through the pore channels of the TpPa-1 membrane. As a result, the dye molecules show a greater tendency to form π–π interaction with the TpPa-1 membrane surface, which accelerates their adsorption.

Study of selective collecting capacity and mechanism of novel collector PPB1 in the separation of cerussite and smithsonite

The study investigated a novel hydrophobic, selective, low-toxicity, and low-cost sulfhydryl collector, PPB1 for the flotation separation of cerussite and smithsonite, analyzing the underlying separation mechanism. Micro-flotation experiments indicated that efficient flotation separation of cerussite and smithsonite could be achieved at pH 8, with a PPB1 dosage of 200 mg·L−1, and without the addition of depressants or pre-sulfurization. PPB1, as a collector, exhibits excellent selectivity for cerussite and can obtain cerussite concentrate with a recovery of over 90 % from artificial mixed minerals and raw ores. Zeta potential and contact angle measurements on pure minerals revealed that PPB1 exhibited stronger adsorption on the cerussite surface, thus significantly altering the potential and increasing the hydrophobicity of the cerussite surface. FT-IR, XPS analyses and DFT calculations indicated that the sulfhydryl group of PPB1 formed a thiol-metal bond with Pb sites on the cerussite surface by stable chemical adsorption, but without interaction with the smithsonite surface, showcasing its high-selectivity.

Waste Zinc–Carbon Battery Recycling: Focus on Total Material Recovery

Currently, less attention is paid to zinc–carbon batteries, although they are still widely used and are among the major types of batteries collected and recycled. The recycling technologies currently in use do not allow the complete recovery of resources, are not self-sufficient and require additional financing. Therefore, this paper aims to study the possibility of complete recycling of waste zinc–carbon batteries and to suggest the practical use of the final products generated in the recycling process. The possibility of complex processing of spent zinc–carbon batteries using mechanical separation and processing of the battery’s components (steel case, zinc electrode, graphite electrode, polypropylene and paper insulators) is justified. The separation of spent electrolytes from other components of batteries with hydrochloric acid was studied. It was shown that the extraction of Zn2+ and NH4+ cations takes place following the addition of an equivalent amount of Na3PO4 solution and water-insoluble NH4ZnPO4 salt sedimentation. Waste agglomerate (mixture of MnO2, MnO(OH), and graphite) was regenerated to its initial composition (MnO2, graphite) at a temperature of 300–325 °C; manganese (III) hydroxide was oxidized to manganese (IV) dioxide. Thermal destruction of polypropylene and paper insulators with additional introduction of polyethylene into the primary mixture produced pyrolysis liquid, pyrocarbon and pyrolysis gas as products. The practical use of the products obtained and compliance with the environmental requirements of the suggested method of waste batteries recycling were shown.

Clindamycin phosphate-based deep eutectic solvent as a chiral selector for enantioseparation of amino alcohol drugs in nonaqueous capillary electrophoresis

Clindamycin phosphate (CP) exhibits good enantioselectivity for many basic drugs, but its separation effect for most amino alcohol drugs is not satisfactory. In this work, a deep eutectic solvent (DES) chiral selector based on CP was prepared for the first time and utilized as a single chiral selector in nonaqueous capillary electrophoresis (NACE) to separate twelve amino alcohol drugs. Compared with unmodified CP, the separations of model drugs in the DES chiral selector system were significantly improved. Most amino alcohol drugs could be completely separated, and the peak shapes were good. In addition, we used infrared spectroscopy and nuclear magnetic resonance method to study the specific separation mechanism and explored the reasons why DES chiral selector has better enantioselectivity. This work is the first to directly modify antibiotic chiral selector into DES, indicating a direction for us to develop novel chiral recognition materials.

Integrating machine learning model and computer-aided molecular design toward rational ionic liquid selection for separating fluorinated refrigerants

To reduce emissions and facilitate the reclamation of hydrofluorocarbons (HFCs), which are potent greenhouse gases, ionic liquid (ILs)-based absorption separation of HFCs from fluorinated refrigerant (FR) blends is considered as an effective approach. In this work, computer-aided ionic liquid design (CAILD) is carried out to rationally design ILs for separating FR blends, with the near-azeotropic R-32/R-125 system as an illustrative case study. Firstly, the machine learning algorithm, namely artificial neural network (ANN), is employed to develop a group contribution (GC) model for accurate prediction of FR-in-IL solubility. Then, a mixed-integer nonlinear programming (MINLP) problem is formulated and solved by integrating the ANN-GC model with two available GC models for predicting the melting point and viscosity of ILs. Consequently, the optimal three ILs including [C1C10Im][dca], [C1C11Im][dca], and [C1C12Im][dca] are identified. Finally, quantum chemistry calculations are conducted to disclose the separation mechanism from molecular perspective, further validating the reliability of the CAILD results.

Classification of Open and Closed Pistachio Shells Using Machine Vision Approach

Pistachio nuts are a type of nut that is widely consumed around the world due to their high nutritional value and pleasant taste. Pistachios are usually sold in their shells, either open or closed. However, closed-shell pistachios are not well received by consumers, resulting in a lower commercial value. It is essential to be able to distinguish between open and closed pistachio shells in order to ensure quality control during production processes and processing. This can be done manually or by using mechanical devices. Manual inspection and categorization of pistachio nuts have traditionally been done by workers, but this process is inefficient in terms of time and money. Mechanical separation of open and closed-shell pistachio can damage the kernels of open-shell nuts due to the needle mechanism used in the sorting process. This study aims to classify pistachio nuts using a machine vision-based system and evaluate its applicability in terms of classification accuracy. The system is evaluated on the Antep pistachio species, which can be distinguished from other pistachio varieties, such as Siirt and Urfa pistachios, based on their shape, size, and taste properties. The machine vision system in this study classifies pistachio nuts into closed and open shell classes in a completely automated manner. In this study, 1,000 Antep pistachio nuts images were obtained and examined, including 500 open and 500 closed nuts. The images were pre-processed and prepared for feature extraction. From the images, a total of 14 color features were extracted. Although the single feature was used, promising classification accuracy rates of 95.6%, 94.8%, and 93.6% from the Random Forest, Support Vector Machine (SVM), and Logistic Regression were achieved, respectively. The performances of classifiers were compared to each other. Almost similar performances were detected. These results demonstrate that the Random Forest classifier is the most effective algorithm for classifying open and closed Antep pistachio nuts.

Strong evidence for interface-field-induced photocarrier separation in new AgFeO2-BiVO4 heterostructures and their efficient photo-Fenton degradation of ciprofoxacin

Deep elucidation of photocarrier transfer and separation mechanism is scientifically significant for developing new photocatalysts in pollutant elimination. In this study, we have immobilized AgFeO2 (AFO) nanoparticles on the surface of BiVO4 (BVO) nanobricks to construct new BVO-AFO heterostructured photocatalysts. Multiple advanced characterization techniques combined with theoretical calculations corroborate substantial evidence for the formation of built-in electric field at the BVO-AFO heterojunction interface and efficient photocarrier transfer/separation behavior and mechanism. Simulated-sunlight-driven photodegradation of ciprofoxacin (CIP) demonstrates an important enhanced photocatalysis of the heterostructure photocatalysts; particularly, the BVO-15 %AFO exhibits a photodegradation performance with η(30 min) = 89.9 % and kapp = 0.06659 min−1, which is enhanced by 4.2 (or 3.4) times over that of bare BVO (or AFO). The heterostructure-enhanced photocatalysis is benefited from the interface-field-facilitated transfer and separation of photocarriers, thus extending their lifetime and making them more probable to participate in the photocatalytic reactions. Furthermore, the BVO-AFO heterostructured photocatalysts demonstrate an important activation of peroxymonosulfate (PMS) or H2O2 to generate additional •OH and •SO4− reactive species, thus further promoting the CIP degradation. This work provides an important scientific basis for designing excellent heterostructured photocatalysts.

Chiral microporous organic network/covalent organic framework/silica composites: Powerful and versatile chromatographic separation materials

Nowadays, covalent organic framework (COF) has shown great potential in chromatographic separation, and enriching the design of novel COF based stationary phases and broadening their application prospects remains of great significance. Microporous organic network (MON) is a novel type of porous material with large specific surface area and excellent stability connected by covalent bonding, which is extremely similar to COF. Especially, nano-sized MON has the characteristics of easy binding with silica matrix and superior chromatographic separation performance. In this work, the combination of MON and COF as the surface modification materials of silica gel was first explored. The conjugated network structure of MON and COF can improve the permeability of silica stationary phase, and the presence of abundant functional groups in COF and MON can enhance the separation ability for a series of aromatic compounds. Moreover, hydrophilic L-cysteine containing thiol group was cleverly introduced into MON/COF@SiO2via thiol-ene/yne click reactions to balance the hydrophilicity and hydrophobicity of stationary phase. The L-cysteine modified chiral MON/COF@SiO2 (CMON/CCOF@SiO2) was used for effective separation of various chiral/hydrophilic/hydrophobic analytes, and the CMON/CCOF@SiO2 was observed to exhibit superior separation ability to the CCOF@SiO2. Multi-mode chromatographic separation mechanisms were explored, demonstrating that multiple interactions were involved in the separation process. Finally, the CMON/CCOF@SiO2 was applied to detect the environmental endocrine disruptors in the water sample and pyridoxine in the tablet sample, respectively, indicating a great potential for application in actual sample detection.

Cued Suppression and Learned Suppression Rely on Separate Mechanisms

Cued Suppression and Learned Suppression Rely on Separate Mechanisms

Study on flotation behavior and mechanism of galena flotation separation from chalcopyrite by sodium periodate depressant

The successful separating galena and chalcopyrite by flotation presents difficulties owing to their analogous surface chemical properties. This study investigated sodium periodate (SP) as a novel depressant for selectively oxidizing and modifying chalcopyrite and galena surfaces, enabling successful flotation separation. In micro-flotation tests were carried out at pH 8.5 and SP concentration of 5 × 10−4 mol/L. The grades of Cu and Pb in the copper concentrate were 27.87 % and 23.13 % with recoveries of 81.22 % and 27.78 %, respectively. SP selectively inhibited galena floatability while preserving chalcopyrite floatability. The selective depression mechanism research of SP in flotation separation process showed that galena surface hydrophobicity was significantly reduced by SP, which in turn prevented the collecting agent from adhering to galena. In the presence of SP, hydrophilic species such as PbSO4 and Pb(OH)2 were generated on the surface of galena, which decreased its ability to float. Conversely, on the chalcopyrite surface, hydrophobic products such as CuS2, CuSn, and S0 were formed, having little effect on its floatability. A model was developed to elucidate the mechanism underlying the selective flotation separation of the chalcopyrite and galena using SP.

Stearic acid modified Fe3O4/Y2O3 composite membranes for efficient oil-water separation

Traditional oil-water separation methods have low separation efficiency and are prone to environmental pollution. The development of low-cost and environmentally friendly novel oil-water separation membranes is of wide interest nowadays. In this work, stearic acid modified Fe3O4/Y2O3 (Fe3O4/Y2O3/SA) composite membranes are prepared on PET and cotton fabric using spraying and impregnation methods. Both Y2O3 and Fe3O4 nanoparticles are compounded on the surface of the substrate and modified using stearic acid impregnation. The results show that Fe3O4/Y2O3/SA composite membrane has a water contact angle of 152.5° and exhibits super hydrophobicity/lipophilicity. At the same time, the composite membrane has excellent oil-water separation performance, including high separation efficiency (99.92 %) for a variety of oil-water mixtures, and good stability in 15 cycles of separation tests. The mechanism of oil-water separation is discussed.

Dissecting the role of SMN multimerization in its dissociation from the Cajal body using harmine as a tool compound.

Survival motor neuron protein (SMN), which is linked to spinal muscular atrophy, is a key component of the Gemin complex, which is essential for the assembly of small nuclear RNA-protein complexes (snRNPs). After initial snRNP assembly in the cytoplasm, both snRNPs and SMN migrate to the nucleus and associate with Cajal bodies, where final snRNP maturation occurs. It is assumed that SMN must be free from the Cajal bodies for continuous snRNP biogenesis. Previous observation of the SMN granules docked in the Cajal bodies suggests the existence of a separation mechanism. However, the precise processes that regulate the spatial separation of SMN complexes from Cajal bodies remain unclear. Here, we have employed a super-resolution microscope alongside the β-carboline alkaloid harmine, which disrupts the Cajal body in a reversible manner. Upon removal of harmine, SMN and Coilin first appear as small interconnected condensates. The SMN condensates mature into spheroidal structures encircled by Coilin, eventually segregating into distinct condensates. Expression of a multimerization-deficient SMN mutant leads to enlarged, atypical Cajal bodies in which SMN is unable to segregate into separate condensates. These findings underscore the importance of multimerization in facilitating the segregation of SMN from Coilin within Cajal bodies.

Unravelling differential Hes1 dynamics during axis elongation of mouse embryos through single-cell tracking.

The intricate dynamics of Hes expression across diverse cell types in the developing vertebrate embryonic tail have remained elusive. To address this, we developed an endogenously tagged Hes1-Achilles mouse line, enabling precise quantification of dynamics at the single-cell resolution across various tissues. Our findings reveal striking disparities in Hes1 dynamics between presomitic mesoderm (PSM) and preneural tube (pre-NT) cells. While pre-NT cells display variable, low-amplitude oscillations, PSM cells exhibit synchronized, high-amplitude oscillations. Upon the induction of differentiation, the oscillation amplitude increases in pre-NT cells. Additionally, our study of Notch inhibition on Hes1 oscillations unveiled distinct responses in PSM and pre-NT cells, corresponding to differential Notch ligand expression dynamics. These findings suggest the involvement of separate mechanisms driving Hes1 oscillations. Thus, Hes1 demonstrates dynamic behaviour across adjacent tissues of the embryonic tail, yet the varying oscillation parameters imply differences in the information that can be transmitted by these dynamics.

Stereoisomeric separation and chiral recognition mechanism study of star cyclodextrin polymer as the chiral stationary phase

BackgroundAs the derivatives of cyclodextrin (CD), cyclodextrin polymers (CDPs) effectively increase the concentration of CD units and construct supramolecular structures with unique stereoselectivity by the structure design. CDPs have shown significant potential in chiral separation, however, the process of stereoselective interactions on chiral stationary phases (CSPs) and the specific contribution of intermolecular forces are still a challenge issue. A comprehensive understanding of the chiral recognition mechanism of CDPs will help to optimize chiral separation conditions and design new CSPs. ResultsThe star CDP with a supermolecular structure was synthesized by grafting β-CD onto the external 6-position hydroxyl groups using β-CD as the parent nucleus. The enhanced host-guest recognition ability of CD supramolecular polymer structure provided better inclusion interaction and increased chiral recognition of the isomers. The Star-CD CSP with star CDP as a chiral ligand performed satisfactory stereoisomer separation ability with the separation factor (α) up to 2.0 for various quinoline alkaloid isomers and 1.89 for catechins. To elucidate its chiral separation mechanism, molecular docking was used to construct the three-dimensional visual models of the binding sites and the contribution of non-covalent interactions between Star-CD CSP and quinoline alkaloid isomers. In addition, the formation sites of non-covalent interactions on the CD monomers of the polymer side chains were confirmed from the actual geometric structure by analyzing the NMR chemical shift changes before and after the formation of complexes between Star-CD polymers and isomers. Combined with the mutual evidence of molecular simulation and chiral NMR, the specific recognition mechanism of selector-selectand complexes was comprehensively expounded. SignificanceThe multi-mode CSP based on cyclodextrin supramolecular structure provides new ideas for the stereoisomeric separation of complex chiral components with multiple chiral centers in natural products. Not limited to the macroscopic performance of the chromatographic separation, molecular docking explored the theoretical model of chiral recognition from the molecular level. The chiral NMR analysis confirmed the credibility of the model from the geometry structure, and then the recognition mechanism of multi-mode CSP was fully elaborated combining the above three aspects.