Anion Selectivity Research Articles

New near-infrared fluorescent probe for imaging superoxide anion of cell membrane

Selective imaging of superoxide anion is important for understanding its role in cell membrane biology, but is often a challenging task because of the lack of an effective fluorescence probe. In this study, a new near-infrared fluorescent probe (SHX-O) that can target cell membrane was developed for imaging superoxide anion. SHX-O was designed by simultaneously incorporating a sulfonated bis-indole and a diphenylphosphinyl recognition group into the hemicyanine moiety. The probe itself showed a rather weak fluorescence due to the hemicyanine’s hydroxyl substitution; however, its reaction with superoxide anion caused a large enhancement of near-infrared fluorescence at 790 nm. Moreover, SHX-O exhibited not only high selectivity for superoxide anion over other reactive oxygen species, but also specific cell membrane localization, which may be attributed to the probe’s amphiphilic structure. Using the probe, fluorescence imaging of cell membrane superoxide anion produced in the presence of xanthine oxidase and xanthine has been achieved in living cells. We believe that SHX-O may serve as a potential tool for imaging and investigating superoxide anion of cell membrane.

Selective Aqueous Anion Recognition in an Anionic Host

Selective Aqueous Anion Recognition in an Anionic Host

Axial heterogeneity of superficial proximal tubule paracellular transport in mice.

A considerable amount of NaCl reabsorption in proximal tubules (PTs) occurs via the paracellular transport regulated by the tight junction proteins claudins (Cldns). However, the paracellular transport properties in mouse superficial PTs remain unclear. We characterized these properties in superficial PT S1-S3 segments from mice expressing [wild-type (WT, WTS1-WTS3)] or lacking claudin-2 [knockout (KO, KOS1-KOS3)]. We isolated and perfused segments with symmetrical solutions in the presence of bath ouabain and measured the diffusion potential upon changing the salt composition of the lumen or bath. Based on the diffusion potential corrected for the liquid junction potential (dVT), we calculated the paracellular Na+ over Cl- permeability (PNa/PCl) ratio. The PNa/PCl values upon reducing luminal NaCl averaged 1.27, 1.04, and 0.85 in WTS1, WTS2, and WTS3 and 0.34, 0.55, and 0.80 in KOS1, KOS2, and KOS3, respectively. The dVT values exhibited a symmetrical response to bidirectional NaCl concentration gradients in WTS1-WTS3 and KOS1-KOS3. WTS1 and WTS3 were monovalent cation-selective, with WTS1 demonstrating stronger cation selectivity. The order of permeabilities relative to Cl- was K+ > Rb+ > Na+ > Li+, whereas both KOS1 and KOS3 exhibited monovalent cation selectivity loss and consequently enhanced anion selectivity, especially in KOS1. Protamine addition to the lumen and bath similarly decreased PNa/PCl values upon reduced luminal NaCl in the order of WTS1 > WTS3 > KOS3 > KOS1. Therefore, this study presents evidence of axial heterogeneity in paracellular transport across superficial PTs in mice.

Recent Advances in Artificial Anion Channels and Their Selectivity.

Nature performs critical physiological functions using a series of structurally and functionally diverse membrane proteins embedded in cell membranes, in which native ion protein channels modify the electrical potential inside and outside the cell membrane through charged ion movements. Consequently, the cell responds to external stimuli, playing an essential role in various life activities, such as nerve excitation conduction, neurotransmitter release, muscle movement, and control of cell differentiation. Supramolecular artificial channels, which mimic native protein channels in structure and function, adopt unimolecular or self-assembled structures, such as crown ethers, cyclodextrins, cucurbiturils, column arenes, cyclic peptide nanotubes, and metal-organic artificial channels, in channel construction strategies. Owing to the various driving forces involved, artificial synthetic ion channels can be divided into artificial cation and anion channels in terms of ion selectivity. Cation selectivity usually originates from ion coordination, whereas anion selectivity is related to hydrogen bonding, ion pairing, and anion-dipole interactions. Several studies have been conducted on artificial cation channels, and several reviews have summarized them in detail; however, the research on anions is still in the initial stages, and related reviews have rarely been reported. Hence, this article primarily focuses on the recent research on anion channels.

Genetically encoded green fluorescent sensor for probing sulfate transport activity of solute carrier family 26 member a2 (Slc26a2) protein

Genetically encoded fluorescent biosensors became indispensable tools for biological research, enabling real-time observation of physiological processes in live cells. Recent protein engineering efforts have resulted in the generation of a large variety of fluorescent biosensors for a wide range of biologically relevant processes, from small ions to enzymatic activity and signaling pathways. However, biosensors for imaging sulfate ions, the fourth most abundant physiological anion, in mammalian cells are still lacking. Here, we report the development and characterization of a green fluorescent biosensor for sulfate named Thyone. Thyone, derived through structure-guided design from bright green fluorescent protein mNeonGreen, exhibited a large negative fluorescence response upon subsecond association with sulfate anion with an affinity of 11 mM in mammalian cells. By integrating mutagenesis analyses with molecular dynamics simulations, we elucidated the molecular mechanism of sulfate binding and revealed key amino acid residues responsible for sulfate sensitivity. High anion selectivity and sensitivity of Thyone allowed for imaging of sulfate anion transients mediated by sulfate transporter heterologously expressed in cultured mammalian cells. We believe that Thyone will find a broad application for assaying the sulfate transport in mammalian cells via anion transporters and exchangers.

Cellular Phosphate Sensing and Anion Binding by an Azacrown-Calixpyrrole Hybrid.

A hybrid receptor-sensor for anions originating from the merging of positively charged ammonium moieties for electrostatic attraction/stronger binding of azacrowns with directionality of calixpyrrole hydrogen bond donors for selectivity is investigated. As demonstrated this hybrid receptor-sensor shows a remarkable selectivity for orthophosphate even in the presence of other phosphates and anions found in cellular materials (Kassoc H2PO4 ->H2P2O7 2->AMP-≫ADP2- or ATP3- over halides, nitrate, or hydrogen sulfate; all Na+ salts in water) but also cellular polyphosphate or phospholipids. This selectivity is harnessed in a real-time monitoring of cell lysis by lysozyme, which releases orthophosphate and other phosphates and anions from the cells. This sensitive (LOD 0.4 μM) fluorescence-based microscale method compares favorably with the state-of-the-art techniques but can easily be practiced in a high-throughput screening (HTS) manner. The anion binding and selectivity in aqueous solutions were investigated by NMR and put in context with phosphate binding of the parent calix[4]pyrrole. The microscopic understanding of anion binding by the hybrid receptor was then obtained from a combination of density functional theory (DFT), classical molecular dynamics (MD) with explicit water solvation, and ab initio MD (AIMD) simulations. Correlating the NMR and fluorescence binding data with studies of solvation of the receptor, phosphate anion, and the resulting complex confirms the binding is largely driven by entropic component (TΔS) associated with receptor and anion desolvation.

Elucidating Polyphosphate Anion Binding to Lanthanide Complexes Using EXAFS and Pulsed EPR Spectroscopy.

Reversible anion binding to lanthanide complexes in aqueous solution has emerged as an effective method for anion sensing. Through careful design of the organic ligand, luminescent lanthanide complexes capable of binding biologically relevant anions in a bidentate or monodentate manner can be realized. While single-crystal X-ray diffraction analyses and NMR spectroscopy have revealed the structural geometry of several host-guest complexes, the challenge remains in designing preorganized lanthanide receptors with enhanced anion selectivity for broader applications in diagnostics and bioimaging. To address this challenge, innovative and complementary methods to investigate host-anion binding geometry are becoming increasingly important. Herein, we demonstrate the combined use of Eu L3-edge extended X-ray absorption fine structure (EXAFS) and electron paramagnetic resonance (EPR) spectroscopy to elucidate the binding of nucleoside phosphates (ATP, ADP, and AMP) to a cationic lanthanide complex. We establish that ATP unequivocally binds the lanthanide center in a bidentate manner in water, while ADP adopts both bidentate and monodentate modes, and AMP binds in a monodentate manner. This interdisciplinary approach provides deeper insight into lanthanide host-guest chemistry in solution, laying the groundwork for designing emissive probes that undergo specific anion-induced structural changes and elicit desired optical responses upon binding.

Ionic Potential Relaxation Effect in a Hydrogel Enabling Synapse-Like Information Processing.

The next-generation brain-like intelligence based on neuromorphic architectures emphasizes learning the ionic language of the brain, aiming for efficient brain-like computation and seamless human-computer interaction. Ionic neuromorphic devices, with ions serving as information carriers, provide possibilities to achieve this goal. Soft and biocompatible ionic conductive hydrogels are an ideal substrate for constructing ionic neuromorphic devices, but it remains a challenge to modulate the ion transport behavior in hydrogels to mimic neuroelectric signals. Here, we describe an ionic potential relaxation effect in a hydrogel device prepared by sandwiching a layer of polycationic hydrogel (CH) between two layers of neutral hydrogel (NH), allowing this device to simulate various electrical signal patterns observed in biological synapses, including short- and long-term plasticity patterns. Theoretical and experimental results show that the selective permeation and hysteretic diffusion of ions caused by the anion selectivity of the CH layer are responsible for potential relaxation. Such an effect allows us with hydrogels to enable synapse-like information processing functions, including tactile perception, learning, memory, and neuromorphic computing. Additionally, the hydrogel device can operate stably even under 180° bending and 50% tensile strain, expanding the pathway for implementing advanced brain-like intelligent systems.

Anion Effect in Electrochemical CO2 Reduction: From Spectators to Orchestrators.

The electrochemical CO2 reduction reaction (eCO2RR) offers a pathway to produce valuable chemical fuels from CO2. However, its efficiency in aqueous electrolytes is hindered by the concurrent H2 evolution reaction (HER), which takes place at similar potentials. While the influence of cations on this process has been extensively studied, the influence of anions remains largely unexplored. In this work, we study how eCO2RR selectivity and activity on a gold catalyst are affected by a wide range of inorganic and carboxylate anions. We utilize in situ differential electrochemical mass spectrometry (DEMS) for real-time product monitoring coupled with molecular dynamics (MD) simulations. We show that anions significantly impact eCO2RR kinetics and eCO2RR selectivity. MD simulations reveal a new descriptor─free energy of anion physisorption─where weakly adsorbing anions enable favorable CO2 reduction kinetics, despite the negative charge carried by the electrode surface. By leveraging these fundamental insights, we identify propionate as the most promising anion, achieving nearly 100% Faradaic efficiency while showing high CO production rates that are comparable to those in bicarbonate. These insights underscore the vital role of anion selection in achieving a highly efficient eCO2RR in aqueous electrolytes.

Anion Selectivities in Zwitterion Grafted Nanopores: Effect of Zwitterion Architecture.

The separation of ions of similar charge is a crucial challenge in many applications, from water treatment to precious metal recovery. Membranes with cross-linked zwitterionic amphiphilic copolymer (ZAC-X) selective layers, which feature self-assembled, zwitterion-lined nanodomains for permeation, offer unique permselectivity between monovalent anions (e.g., Cl-/F-). This has motivated studies on the mechanisms of transport and selectivity in this family of materials. In this study, we conducted molecular dynamics simulations of aqueous salt solutions within zwitterion-functionalized nanopores to elucidate the influence of dipole orientation of the ZI ligands on anion diffusivities, partitioning, and permeabilities. Our model compares systems with contrasting ZI organization: surface-cation-anion (S-ZI+-ZI-, Motif A) and surface-anion-cation (S-ZI--ZI+, Motif B). Our results reveal that Motif A exhibits less pronounced ion pairing due to a spatial separation in the radial profiles of cations and anions. Motif B demonstrates prominent ion pairing for smaller anions owing to their overlap with cation distributions. Further, our potential of mean force profiles reveals that anion partitioning increases with anion size in both ligand motifs, whereas Motif B exhibits significantly higher partitioning selectivity toward larger anions compared to Motif A. Our results for ion diffusivities show that the self-diffusivities of both anions and cations are lower for Motif B compared to Motif A. Such trends in anion partitioning and diffusivities can be explained by differences in the interactions and steric hindrance experienced by the anionic species in Motifs A and B. Finally, our results for anion permselectivity, obtained by combining partitioning and diffusivity, indicate that partitioning trends dominate over diffusivity trends. Consequently, anion permeability increases with anion size, and ligand Motif B yields much higher permselectivity toward larger anions compared to ligand Motif A.

Electrochemical Selective Removal of Oxyanions in a Ferrocene-Doped Metal-Organic Framework.

Metal-organic frameworks (MOF) are a class of crystalline, porous materials possessing well-defined channels that have widespread applications across the sustainable landscape. Analogous to zeolites, these materials are well-suited for adsorption processes targeting environmental contaminants. Herein, a zirconium MOF, UiO-66, was functionalized with ferrocene for the selective removal of oxyanion contaminants, specifically NO3-, SO42-, and PO43-. Electrochemical oxidation of the embedded ferrocene pendants induces preferential adsorption of these oxyanions, even in the presence of Cl- in a 10-fold excess. Anion selectivity strongly favoring PO43- (Soxy/comp = 3.80) was observed following an adsorption trend of PO43- > SO42- > NO3- > (10-fold)Cl- in multi-ion solution mixtures. The underlying mechanisms responsible for ion selectivity were elucidated by performing ex situ X-ray photoelectron spectroscopy (XPS) on the heterogeneous electrode surface postadsorption and by calculating the electronic structure of various adsorption configurations. It was eventually shown that oxyanion selectivity stemmed from strong ion association with a positively charged pore interior due to the spatial distribution of charge by oxygen constituents. While ferrocenium provided the impetus for ion migration-diffusion, it was the formation of stable complexes with zirconium nodes that ultimately contributed to selective adsorption of oxyanions.

Cell membrane-inspired COF/AAO hybrid nanofluidic membrane with ion current rectification properties for ultrasensitive detection of E. coli

Nanofluidic membranes hold great prospects in sensitive and rapid detection of bioanalysts, while remaining lacking robust and general approaches for specificity. In this work, we introduce a cell membrane-inspired nanofluidic membrane with excellent ion current rectification properties as a simple and robust platform for label-free and ultrasensitive biosensing. The asymmetric nanofluidic membrane is prepared by coupling a two-dimensional covalent organic framework (COF) membrane to an anodic aluminum oxide (AAO) nanochannel via hydrogen bonding. The prepared COF/AAO membrane presents selective ion transport due to the asymmetric structure and anion selectivity of COF. With the large surface area and abundant functional modification sites of COF, further grafting of the recognition unit can be easily achieved to mimic the recognition process of receptors and ligands on cell membranes. As a proof of concept, the application in bacterial detection is demonstrated by covalently bonded Concanavalin A as recognition units. The highly amplified ionic current based on ion current rectification properties of the COF/AAO membrane allows sensitive and selective bioanalysis. Specifically, the proposed asymmetric nanofluidic membrane presents a linear detection range from 10 to 106 CFU/mL with an ultralow detection limit of 7 CFU/mL for E. coli. This work reveals the great potential of COF/AAO hybrid nanofluidic membrane as a sensor for rapid and precise bioanalysis.

Advances in Anion Sensing Using Dipyrromethane‐Based Compounds

AbstractAnion sensing plays a crucial role in areas ranging from medical diagnostics to environmental monitoring. Dipyrromethane‐based compounds offer a versatile platform for developing colorimetric and fluorescent chemosensors, owing to their structural tunability and favorable optical properties. This review provides a concise overview of current advancements in anion sensing using dipyrromethane molecular framework. We examined the diverse strategies employed in designing dipyrromethane‐based anion sensors. Emphasis is placed on the structure‐function relationships that dictate anion affinity and selectivity. Key sensing mechanisms, including visual detection, UV‐vis studies, NMR studies, and fluorescence modulation, are explored. Finally, the synthetic routes for the synthesis of chemosensors are mentioned in detail. Given the efficiency and flexibility of dipyrromethane‐based sensor, we believe that major developments are to be expected in the field of both sensor and analytical chemistry.

Expedient Decagram-Scale Synthesis of Robust Organic Cages That Bind Sulfate Strongly and Selectively in Water.

Selective anion recognition remains a key challenge in supramolecular chemistry: only a very small number of systems that can function in water are known, and these nearly always preferentially bind hydrophobic anions. In this work, we report three robust hexa-cationic cages that can be prepared on scales up to 14 g in two simple and high-yielding steps from commercially available materials. One of these cages displays unusually strong sulfate binding in water (Ka = 12,000 M-1), and demonstrates high selectivity for this anion over H2PO4-/HPO42- in DMSO/buffer mixtures. These results demonstrate that relatively large, three-dimensional supramolecular hosts can be prepared in high yields and on large scales, and can be highly potent receptors.

Quantitative insights into the mechanism of proton conduction and selectivity for the human voltage-gated proton channel Hv1

Human voltage-gated proton (hHv1) channels are crucial for regulating essential biological processes such as immune cell respiratory burst, sperm capacitation, and cancer cell migration. Despite the significant concentration difference between protons and other ions in physiological conditions, hHv1 demonstrates remarkable proton selectivity. Our calculations of single-proton, cation, and anion permeation free energy profiles quantitatively demonstrate that the proton selectivity of the wild-type channel originates from its strong proton affinity via the titration of the key residues D112 and D174, although the channel imposes similar kinetic blocking effects for protons compared to other ions. A two-proton knock-on model is proposed to mathematically explain the electrophysiological measurements of the pH-dependent proton conductance in the conductive state. Moreover, it is shown that the anion selectivity of the D112N mutant channel is tied to impaired proton transport and substantial anion leakage.

Leveraging an innovative process integration using highly acid-immune blend membranes for enhanced acid recovery and selective salt separation

We investigate the efficiency and advantage of the integrated diffusion dialysis-electrodialysis (DD-ED) system over the DD process for acid recovery with highly acidic wastewater. The investigation uses various acid (HCl/H2SO4) /salt mixtures encompassing iron, copper and aluminium salts (FeCl2, CuCl2, AlCl3, and FeSO4) as simulated feed. The membrane is prepared using blend mixture of polyvinylidene fluoride (PVDF) and polymethyl methacrylate-co-poly chloromethyl styrene copolymer (PMMA-co-PCMSt) solution by non-solvent induced phase inversion on a nonwoven fabric followed by treatment with different tertiary amines. Representative AEM-Q3 membrane prepared by the post modification of blend membrane with a mixture of N, N, N’, N’- tetramethyl diamino hexane (TMDAH) and trimethyl amine (TMA) (1: 1 w/w %) exhibited the best-balanced performance. The membrane recovered a 84.2% AR (%) of acid with 96.28% purity (%) at a flux (JH+) of 7.08 × 10-4 mol cm-2 h-1 from 3 M HCl and 0.2M FeCl2 mixture making it suitable for further studies. A comprehensive comparative study drawn between the DD and integrated DD-ED showed that there was a 2.3 fold increment in acid recovery for the integrated process over the DD process (for the HCl-FeCl2 system). The membranes have also shown good monovalent (Cl-) and bivalent (SO42-) anion selectivity of 7.8. However, the selectivity was further improved to 12.28 by modification of AEM-Q3 membrane, which is double side cast (referred as AEM-Q3/b). The synthetic strategy of the membrane is easy and scalable and has potential for both acid recovery and selective salt separation by ED process.

Anion-binding-induced selective aggregation and self-degradation: Influence of positional isomerism on the anion selectivity and mode of binding of an imine-based receptor

Imine based positional isomers (8E)-N-(4-((E)-(perfluorophenylimino)methyl)benzylidene)-2,3,4,5,6-pentafluorobenzenamine, L and (10E)-N-(3-(E-Perfluorophenylimino)methyl)benzylidene)-2,3,4,5,6-pentafluorobenzenamine, L1 have been designed, and synthesized by functionalizing two electron deficient aromatic moieties at the para–para’/ortho-ortho’ positions in the phenyl core of the L and L1 respectively. The responses of L and L1 towards various anionic species are examined. The positional isomers L and L1 differs not only by showing distinguishable color change upon addition of anions but also differentiates themselves by the way of self-assembling together upon binding with cyanide anion. The naked-eye colorimetric experiments, UV–Vis, Nuclear Magnetic Resonance, and Infra-Red spectroscopic analyses reveal that the isomer L binds fluoride anion through 2:1 stoichiometry ratio. Unlike fluoride complex, the isomer L form aggregates while binding with cyanide ion. On the other hand, isomer L1 does not show any instant color change upon additions of any anion. Interestingly, after thirty minutes, only the color of the cyanide complex is turned into dark brown. While analyzing the spectroscopic results of cyanide complex of L1, it is found that the cyanide complex begins to decompose and finally it is completely decomposed within 30 min. This unprecedented phenomenon about the colorimetric sensing of cyanide and destruction of cyanide complex with respect to time has not been reported in the literature yet. To the best of our knowledge this is the first example of study of sensing controlling the selectivity, mode of binding, self-aggregating and degradation properties of anionic complexes under the influence of positional isomeric effects. This present investigation provides simple and effective strategy to construct the sensor molecules with tunable binding properties in terms of easy to prepare as well as easy to use as a colorimetric sensor._____________________________________________________________________________________________________

Constructing oxygen vacancies by selective anion doping in high entropy perovskite oxide for water splitting

High entropy perovskite oxide (HEPO) is a potential electrocatalyst for the oxygen evolution reaction (OER), but insufficient activity remains a problem. Oxygen vacancies can activate the lattice oxygen to induce the lattice oxygen-mediated mechanism (LOM), which can avoid the kinetic limitation present in adsorbate evolution mechanism (AEM), thereby improving the OER activity. Herein, we select the appropriate doping element (S) through analysis of ionic radius, electronegativity, and oxygen vacancy formation energy, and report an effective two-step oxygen vacancy strategy for introducing oxygen vacancies into HEPO through electrospinning and sulfurization treatment. This strategy optimizes the eg orbital filling electron number and significantly increases the active area, oxygen vacancy content and electroconductivity. Furthermore, the apparent pH dependence and the TMA+ inhibition phenomenon suggest the involvement of the LOM. Consequently, the resulting S/LMO-E has a lower overpotential (314 mV at 10 mA cm−2) and faster kinetics, and shows excellent stability. Meanwhile, the water splitting is achieved at 1.59 V to afford 10 mA cm−2 current density for S/LMO-E⎪⎢Pt/C, which is smaller than that of RuO2⎪⎢Pt/C (1.62 V). This work provides an attractive OER electrocatalyst for efficient water splitting to produce renewable hydrogen and opens a new way for the design of effective and stable high entropy material electrocatalysts.

Characterization of ClC-1 chloride channels in zebrafish: a new model to study myotonia.

The function of the chloride channel ClC-1 is crucial for the control of muscle excitability. Thus, reduction of ClC-1 functions by CLCN1 mutations leads to myotonia congenita. Many different animal models have contributed to understanding the myotonia pathophysiology. However, these models do not allow in vivo screening of potentially therapeutic drugs, as the zebrafish model does. In this work, we identified and characterized the two zebrafish orthologues (clc-1a and clc-1b) of the ClC-1 channel. Both channels are mostly expressed in the skeletal muscle as revealed by RT-PCR, western blot, and electrophysiological recordings of myotubes, and clc-1a is predominantly expressed in adult stages. Characterization in Xenopus oocytes shows that the zebrafish channels display similar anion selectivity and voltage dependence to their human counterparts. However, they show reduced sensitivity to the inhibitor 9-anthracenecarboxylic acid (9-AC), and acidic pH inverts the voltage dependence of activation. Reduction of clc-1a/b expression hampers spontaneous and mechanically stimulated movement, which could be reverted by expression of human ClC-1 but not by some ClC-1 containing myotonia mutations. Treatment of clc-1-depleted zebrafish with mexiletine, a typical drug used in human myotonia, improves the motor behaviour. Our work extends the repertoire of ClC channels to evolutionary structure-function studies and proposes the zebrafish clcn1 crispant model as a simple tool to find novel therapies for myotonia. KEY POINTS: We have identified two orthologues of ClC-1 in zebrafish (clc-1a and clc-1b) which are mostly expressed in skeletal muscle at different developmental stages. Functional characterization of the activity of these channels reveals many similitudes with their mammalian counterparts, although they are less sensitive to 9-AC and acidic pH inverts their voltage dependence of gating. Reduction of clc-1a/b expression hampers spontaneous and mechanically stimulated movement which could be reverted by expression of human ClC-1. Myotonia-like symptoms caused by clc-1a/b depletion can be reverted by mexiletine, suggesting that this model could be used to find novel therapies for myotonia.

Selective anion exchange adsorption of molybdenum(VI) at low concentrations from an acid leached vanadium shale solution containing aluminium and phosphorus

With a decline in high-grade molybdenum reserves, the development of other types of molybdenum resources have received increasing attention. Vanadium shale is a multi-metal shale and fine-grained sedimentary rock comprising small grains and various minerals. After leaching and extracting vanadium, the solution often contains a low concentration of molybdenum. However, because of the low molybdenum concentration, many processing plants treat it as an acidic wastewater, which wastes molybdenum resources and carries the risk of environmental pollution. The leaching process of vanadium shale mostly involves high-temperature and high-pressure operations, which greatly increase the content of impurity ions such as aluminium and phosphorus in the pregnant leach solution. These impurity ions increase the difficulty in separating and recovering molybdenum. In this study, the adsorption and separation of molybdenum at leach liquor of low molybdenum concentration were investigated. The effects of different factors such as: (i) pH of feed solution, (ii) adsorption time, and (iii) presence of impurity ions, aluminium and phosphorus, on the adsorption and separation of molybdenum using five different anion-exchange resins, D201, D296, D301, D314, and D301R, were investigated. The static adsorption and desorption test results showed a molybdenum adsorption capacity of 222 mg/g at pH = 1.5 by the D301 resin. The desorption efficiency using 20% NH₄OH was 96.1%. The adsorption efficiencies of aluminium and phosphorus were 1.31% and 3.10%, respectively. This is a better choice for separating molybdenum from complex solutions. The experimental results from spectra and theoretical calculations showed that the -NH group of D301 resin was combined with the O atoms of MoO3·3H2O, Al(SO4)2−, and H2PO4− by electrostatic attraction. The binding energies of these three species were − 311 kJ/mol, −231 kJ/mol, and − 62.0 kJ/mol respectively, indicating that D301 resin preferentially adsorbed MoO3·3H2O. Based on the above results, the D301 resin can adsorb molybdenum(VI) in complex solutions under low pH conditions, and this study is expected to promote the comprehensive recovery of valuable metals from vanadium shale.