About

Yi Xiao is a professor in the Department of Chemistry at NC State University, holding the titles of LORD Corporation Distinguished Scholar and University Faculty Scholar. She earned her Ph.D. in Analytical Chemistry from Nanjing University in China in 2000, after completing her M.S. and B.S. in Analytical Chemistry at Northwest University, China. Her research group focuses on applications of biosensors and biotechnologies at the interface of chemistry, biochemistry, and molecular biology. The main goal of her work is centered around the development of aptamer selection techniques and aptamer-based sensor platforms, aiming to create sensitive, specific, and cost-effective assays and devices for detecting medically- and forensically-relevant small-molecule targets in real-world samples.

Research topics

• Chemistry
• Biology
• Nanotechnology
• Materials science
• Biochemistry
• Computational biology
• Computer Science
• Molecular biology
• Electronic engineering
• Bioinformatics
• Biophysics

Selected publications

• Efficient CO ₂ Capture and In Situ Electrocatalytic Conversion on Heavy Metal-Doped Graphene Surface: A Comprehensive DFT Study

  Energy & Fuels · 2026-03-04

  articleSenior authorCorresponding

  The recovery of heavy metals and the capture and conversion of CO2 are both highly energy-intensive processes. Nevertheless, they exhibit considerable synergistic potential, and integrating these technologies presents a promising approach for improving environmental sustainability while lowering operational costs. In this study, we utilized density functional theory (DFT) calculations to elucidate the mechanism through which nitrogen-doped graphene (NG) surfaces simultaneously capture five heavy metal atoms from coal-fired power plant flue gas and catalyze the in situ electrochemical reduction of CO2 to CH3OH and CH4. Calculations of electronic properties reveal that the NG surface exhibits strong binding affinity toward all investigated heavy metals except Hg. Analysis of reaction pathways indicates that Cd@C–N4 demonstrates the minimal overpotential (0.32 eV) among the examined systems. This study, underpinned by density functional theory calculations, illustrates the feasibility of simultaneously attaining heavy metal recovery and electrocatalytic CO2 reduction. Additionally, it offers a theoretical framework for employing NG adsorbents to capture and stabilize heavy metals in coal-fired power plants, along with their subsequent use for in situ CO2 electrocatalysis.

  PublisherDOI

• High-Throughput Aptamer Characterization via Real-Time Nuclease Digestion

  Journal of the American Chemical Society · 2026-03-02

  articleOpen accessSenior authorCorresponding

  selection has become more straightforward, it remains challenging to accurately characterize aptamer binding in an accurate and high-throughput manner. Here, we present a next-generation version of our previously reported first-generation exonuclease digestion assays for screening aptamer-ligand interactions in a parallel and label-free manner. Our new real-time exonuclease (RT-Exo) assay delivers throughput exceeding that of the previous-generation method by orders of magnitude, with considerably less labor and resource consumption. The RT-Exo assay uses a fluorogenic aptamer as a signal reporter to monitor exonucleolytic digestion of aptamers in real time. Once samples are prepared and loaded into a microplate, a reader can autonomously monitor the digestion process, generating hundreds of data points per sample. Our fluorogenic reporter functions under many buffer and salt conditions, and we have validated the performance of RT-Exo with multiple aptamers of diverse structures binding to targets of varying physicochemical properties and divergent binding affinities. Finally, we showcase the utility of RT-Exo by screening mutants as part of structure-activity studies and its impressive throughput by profiling aptamer binding to 120 fentanyl analogs in a single run with just one experimentalist. With the greatly increased throughput, precision, and simplicity of the RT-Exo assay, the aptamer characterization process should become far more streamlined and efficient.

  PublisherDOI

• Hereditary Thrombotic Thrombocytopenic Purpura Associated With Recurrent Strokes and Prominent Nervous System Involvement in a Young Chinese Female

  Clinical Case Reports · 2026-03-01

  articleOpen accessSenior authorCorresponding

  Hereditary thrombotic thrombocytopenic purpura (TTP) is a rare autosomal recessive inherited disease caused by an ADAMTS1 gene mutation, resulting in absence or severe deficiency of plasma ADAMTS13 activity. The common causes include infection, inflammation, or pregnancy. Here, we present a case involving a 30 year old female with hereditary TTP, identified as compound heterozygous mutations of ADAMTS13 c.1045C > T (p.Arg349Cys) and c.2411G > A (p.Cys804Tyr). Our findings suggest that patients with these mutations are prone to recurrent strokes and exhibit prominent neurological symptoms.

  PublisherDOI

• Mesoporous PtPd Alloy ‐ High Entropy Oxide Heterostructures for Efficient Electrocatalytic Methanol Oxidation Reaction

  Angewandte Chemie · 2025-09-25 · 1 citations

  article

  Abstract The widespread adoption of direct methanol fuel cells (DMFCs) has been significantly hindered by the low activity of commercial noble metal catalysts toward the methanol oxidation reaction (MOR) and their susceptibility to CO poisoning. To address these challenges, a mesoporous PtPd‐HEO (HEO = high entropy oxide) heterostructure is assembled in situ from a metal–organic framework (MOF)‐derived high entropy alloy (HEA) in this work. Mass activity exceeding that of commercial Pt/C by more than an order of magnitude is demonstrated by this catalyst. A peak power density of 155 mW cm −2 and long‐term operational stability are achieved in a DMFC assembled with mesoporous PtPd‐HEO, surpassing the performance of cells based on Pt/C and PtPd/C. In situ spectroscopic studies combined with density functional theory (DFT) simulations reveal that the valence electronic structure of the PtPd alloy is modulated by the HEO component, resulting in improved selectivity for non‐CO pathways and increased formation of reactive hydroxyl species. Superior MOR catalytic activity and durability for PtPd‐HEO are attributed to this synergistic electronic tuning and the porous structure. The development of HEO‐based mesoporous heterostructures is proposed as a promising strategy for the design of next‐generation catalysts in energy conversion and sustainable technologies.

  PublisherDOI

• Conceptualization and assessment of groundwater–seawater interactions on bedrock islands

  Journal of Hydrology · 2025-02-21 · 1 citations

  article
  PublisherDOI

• Synthesis of Pumice Modified with Lanthanum Oxycarbonate Nanoparticles and Its Fluoride Ion Adsorption Properties

  Journal of Environmental Engineering · 2025-09-25 · 1 citations

  article

  The immobilization of lanthanum oxycarbonate nanoparticles on pumice [lanthanum oxycarbonate-modified pumice (LOCP)] was explored as a novel approach for enhancing fluoride removal in water treatment. Fluoride contamination in water is a significant environmental issue, and developing efficient adsorbents is crucial for sustainable remediation. Synthesized through a combined hydrothermal and annealing approach, LOCP demonstrated exceptional fluoride adsorption characteristics. Kinetic studies revealed optimal fitting with the Elovich model (R2=0.98), while adsorption isotherms followed the Langmuir model with a theoretical maximum capacity of 25.15 mg/g. The material maintained stable fluoride removal efficiency (exceeding 80%) across a broad pH range (2–10), with phosphate showing the strongest interference among coexisting anions (inhibitory order: NO3−<SO42−<Cl−<HCO3−<CO32−<PO43−). Spectroscopic analysis indicated that the adsorption mechanism primarily involves ligand exchange between fluoride ions and protonated La─ O bonds, forming stable La–F complexes. After four regeneration cycles, LOCP retained 53.9% of its initial capacity, while column tests demonstrated continuous operation for 35 h with effluent fluoride concentrations below 1 mg/L.

  PublisherDOI

• Reagentless Real‐Time ATP Monitoring with New DNA Aptamers

  Small · 2025-10-16 · 2 citations

  articleOpen accessSenior authorCorresponding

  Adenosine triphosphate (ATP) is essential to numerous biological processes, and there is considerable interest in methods for measuring this molecule in real time. Current ATP sensors have fundamental shortcomings that limit their utility, such as poor specificity, the need for exogenous reagents, or assay complexity. Aptamer-based biosensors have shown great promise for ATP detection, but existing aptamers have modest affinity and poor specificity that limit their practical utility. Here, the systematic evolution of ligands by exponential enrichment (SELEX) process is used to discover new DNA aptamers that bind ATP with unprecedentedly high affinity and specificity. The best-performance aptamer, ATP18-13, displays at least tenfold greater affinity for ATP relative to previously reported aptamers, with far superior capacity to discriminate against analogs including adenosine diphosphate (ADP), adenosine monophosphate (AMP), and adenosine. ATP18-13 is used to develop a fluorescent beacon sensor that achieves a limit of detection of 125 nm ATP in buffer and 1 µm ATP in cell culture medium. The capability of this sensor is demonstrated to achieve real-time, seconds-scale monitoring of deoxyATP consumption during DNA polymerase-mediated template extension. The aptamers and sensors developed here can thus prove useful for monitoring ATP in a variety of biological contexts.

  PublisherOA PDFDOI

• Improving Aptamer Affinity and Determining Sequence–Activity Relationships via Motif-SELEX

  Journal of the American Chemical Society · 2025-03-07 · 20 citations

  articleOpen accessSenior authorCorresponding

  via Systematic Evolution of Ligands by Exponential Enrichment (SELEX) is often limited because the entire potential sequence space cannot be screened. In this study, we introduce Motif-SELEX, a novel method that enables the optimization of existing underperforming aptamers by generating libraries that broadly represent both the sequence and length variations of the parent sequence. This approach enables the isolation of sequences with improved affinity without the biases and limitations of traditional mutagenesis methods like doped SELEX and error-prone PCR. As a demonstration, we applied Motif-SELEX to a DNA-based morphine aptamer and a 2' fluoro- and methoxy-RNA-based apixaban aptamer, discovering new, better-performing sequences with differing random domain lengths from their parents and up to 10-fold improvements in affinity. These new sequences would be inaccessible to traditional post-SELEX methods. Critically, our analysis of Motif-SELEX pools also enabled us to identify sequence and structural elements crucial for target binding and to predict secondary and tertiary structures for a given aptamer family─even when those structures involve noncanonical nucleotide interactions. We believe that Motif-SELEX offers an effective and generalizable solution for optimizing the structure and binding properties of functional nucleic acid molecules for diverse applications.

  PublisherOA PDFDOI

• Affinity Maturation of a Fentanyl Aptamer by Motif-SELEX

  JACS Au · 2025-12-16

  articleOpen accessSenior author

  selection with a library containing conserved sequence motifs of an existing aptamer flanked by variable-length random domains that serve to enhance interactions with the target. Here, we demonstrate the application of Motif-SELEX to a DNA aptamer that binds to fentanyl with highalbeit inadequateaffinity to enable the detection of fentanyl at clinically relevant concentrations in biofluids. The matured aptamers discovered through Motif-SELEX are somewhat more complex than previous-generation aptamers, with additional nucleobases in their binding domain, and display 3-fold improved affinity toward fentanyl. We then use these aptamers to develop molecular beacon sensors that can detect fentanyl at concentrations as low as 6 nM in diluted filtered serum. Our findings indicate that Motif-SELEX offers an effective means to improve the affinity of underperforming aptamers toward levels suitable for practical use.

  PublisherDOI

• A Review on the Application of Biosensors for Monitoring Emerging Contaminants in the Water Environment

  Sensors · 2025-08-10 · 27 citations

  reviewOpen access1st author

  Due to the frequent occurrence and elevated concentrations of emerging contaminants (ECs) in water environments, as well as their high toxicity, these compounds have become a growing concern, threatening water safety, human health, and environmental health. Stricter regulations and routine monitoring are required to control EC pollution in water. Analytical chemistry-based techniques are the most widely used approach for quantifying ECs in environmental samples. However, high costs, complex sample preparation, time-consuming protocols, and labor-intensive processes limit their application for the routine and rapid detection of ECs. Biosensors are a promising biotechnological alternative that has received increased attention in recent years for the quantification of ECs. This review provides a comprehensive overview of the main types of biosensors used for monitoring ECs in aquatic environments, highlighting their underlying detection mechanisms and recent technological advancements. It also discusses key challenges associated with different biosensor platforms, such as stability, sensitivity, and development complexity. Potential future research directions to address these limitations and enhance the performance of biosensors include immobilization on hybrid nanomaterials, and the development of portable and multifunctional biosensors for on-site and real-time monitoring. By summarizing current progress and identifying future directions, this review will broaden the awareness and recognition of biosensors for monitoring ECs in water environments, contributing to water safety, sanitation, and sustainability.

  PublisherOA PDFDOI

Recent grants

• Homogeneous Nuclease-Assisted SELEX for Rapid Isolation of Cross-Reactive, Functionalized Aptamers for Synthetic Cannabinoids

  NIH · $160k · 2019–2021

• Aptamer-Based, Exonuclease-Amplified, Colorimetric, Onsite Screening of Methylenedioxypyrovalerone (MDPV) and Mephedrone in Oral Fluid

  NIH · $337k · 2015–2019

• Rapid isolation of high-affinity DNA aptamers for small-molecule targets via nuclease-assisted SELEX

  NSF · $290k · 2021–2024

• Homogeneous Nuclease-Assisted SELEX for Rapid Isolation of Cross-Reactive, Functionalized Aptamers for Synthetic Cannabinoids

  NIH · $173k · 2019–2022

• Rapid isolation of high-affinity DNA aptamers for small-molecule targets via nuclease-assisted SELEX

  NSF · $355k · 2019–2021

Frequent coauthors

• Kevin W. Plaxco

  University of California, Santa Barbara

  42 shared

• Juan Canoura

  North Carolina State University

  40 shared

• Obtin Alkhamis

  North Carolina State University

  40 shared

• Haixiang Yu

  University of Shanghai for Science and Technology

  27 shared

• Alan J. Heeger

  21 shared

• Xiaogang Qu

  University of Science and Technology of China

  20 shared

• Yingzhu Liu

  19 shared

• Liqin Dang

  Shaanxi Normal University

  18 shared

Labs

• Yi Xiao LabPI

Education

• Ph.D., Chemistry

  University of North Carolina at Chapel Hill

  2007

• M.S., Chemistry

  University of North Carolina at Chapel Hill

  2003

• B.S., Chemistry

  University of Science and Technology of China

  2001