Physical Sciences and Mathematics | Open Access Articles

Cryogrinding And Physical Analysis Of A Thermoplastic Polyurethane Elastomer, Timothy E. Whitesell, Marcia Reeves, David L. Helm, Joseph S. Thrasher

Chemistry Summer Research Program

No abstract provided.

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Big Data For A Deep Problem: Exploring Natural Deep Eutectic Solvent (Nades) Properties Through Rdkit And Data Analytics, Grayson Weavil, Lucas B. Ayres, Carlos D. Garcia

Chemistry Summer Research Program

No abstract provided.

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Supramolecular Π-Donor/Acceptor Arrays Based On Metal-Organic Cage Inclusion Complexes, Sean Hannigan, Evan Thibodeaux, Sourav Saha

Chemistry Summer Research Program

No abstract provided.

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Tuning Oxo Formation Energies Using Spectator Ligands In The Mil-100 Metal Organic Framework, Victoria E. Lee, Stephen P. Vicchio, Rachel B. Getman

Chemistry Summer Research Program

No abstract provided.

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Using Alginate Beads Modified With Graphite As An Effective Electrode, Madeline Mchugh, Barbara G. S. Guinati, Carlos D. Garcia

Chemistry Summer Research Program

No abstract provided.

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Polymersomes As Chemotherapeutic Agents For Non-Invasive Treatment Of Glioblastoma, Tj Fletcher, Molli Garifo, Jessica Larsen, Jessica Larsen

Chemistry Summer Research Program

No abstract provided.

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Effects Of Low-Energy X-Rays And Uv Radiation On Fibroblast Cells, Michelle Gorodisky, Congyue Peng, Arianna Csiszer, Delphine Dean

Chemistry Summer Research Program

No abstract provided.

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Accessing Rare Heterocycles From Alkynyl Ethers And Nitrogenous Electrophiles & The Development Of Small Molecule Inhibitors Against Naegleria Fowleri Infection, James W. D. Morris, Samuel Kwain, Daniel C. Whitehead

Chemistry Summer Research Program

No abstract provided.

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Dynamics Of Ionizable Polymers In Ionic Liquid (Il) Using Nuclear Magnetic Resonance Spectroscopy, Sophie Ntipouna, Hayden Sasko, Shalika D. K. Meedin, Dvora Perahia

Chemistry Summer Research Program

No abstract provided.

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Halogen Bonding In Nitrogen And Iodine Compounds To Form Novel Cocrystals, Dahlia Griffin, Ann Jiang, Colin D. Mcmillen, William T. Pennington

Chemistry Summer Research Program

No abstract provided.

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Stimuli-Responsive Self-Folding Bilayer Polymer Thin Films, Astrid Garcia, Dimuthu Edirisinghe, Bogdan Oliy, George Chumanov

Chemistry Summer Research Program

No abstract provided.

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Combining Alginate Beads With Methylene To Create A Biosensor To Assess The Quality Of Milk, Vivien Zheng, Barbara Guinati, Carlos D. Garcia

Chemistry Summer Research Program

No abstract provided.

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Elucidating The Structure And Regulatory Interactions Of The Hotair Non-Coding Rna And The Bacterial Rnase P. Holoenzyme, Ainur Abzhanova

Dissertations (1934 -)

RNA structures and RNA-protein interactions are studied as potential drug targets, biomarkers in cancer, and can be administered as vaccines. The cancer associated HOTAIR (HOX transcript antisense RNA) exists in higher vertebrates and interacts with chromatin remodeling enzymes. We examined the thermodynamic folding properties and structural propensity of the exonic regions of HOTAIR using biophysical methods and NMR spectroscopy. Different exons of HOTAIR contain variable degrees of structural heterogeneity. We identify one exonic region, exon 4, that adopts a stable and compact fold under low magnesium concentrations. Close agreement of NMR spectroscopy and chemical probing confirm conserved base pair interactions …

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Study Of Digital Algan Alloy Based Heterostructures Using Aln/Gan Short Period Superlattice, Mohammad Kamal Hussain

Theses and Dissertations

Ultrawide Bandgap (UWBG) and Extreme Bandgap (EBG) AlxGa1-xN (x > 0.40) alloys with EG > 4.2 eV are potential candidates for high temperature and high voltage applications, compared to Wide Bandgap (WBG) GaN-based lateral channel devices. Since critical electric field (Ec) scales as (Eg)^2.5, theoretically AlGaN alloys can sustain large electric field before breaking down. However, achieving linear ohmic contacts to the 2-dimensional electron gas (2DEG) formed at the interface of AlyGa_1-xN/ Al_xGa_1-xN (y – x ≥ 0.20) High Electron Mobility Transistors (HEMTs) is challenging. Direct contact through the AlGaN barrier is difficult due …

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The Synthesis Of Novel Rare Earth Thiosilicates Using The Boron Chalcogen Mixture Method For An Interest In Their Magnetic And Optical Properties, Adam Alexander King

Theses and Dissertations

The chalcogens or the group sixteen elements excluding oxygen, are of interest due to their wide variety of structures and compositions, which gives the potential for a plethora of desired physical properties. This is due to their increased ability to catenate, forming stable chalcogen-chalcogen bonds. When the chalcogens combine with certain main group elements and transition metals they form anionic framework building blocks known as chalcometallates. One such chalcometallate of interest is the thiosilicates, compounds containing Si-S bonds as the anionic frameworks. These compounds are of interest due to their potentials in both their optical and magnetic properties. However, traditional …

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Study Of Non-Covalent Interactions Using Molecular Rotors And Balances, Daniel Onyekachi Madukwe

Theses and Dissertations

The main focus of this dissertation is on the quantification of non-covalent interactions using molecular rotors and balances. While molecular rotors were used to measure kinetic effects of weak non-covalent interactions, molecular balances were used to measure their thermodynamic effects. Chapters 1 and 2 focus on the use of molecular rotors in measuring and studying the kinetic effects of the hydrogen bonding interaction on the bond rotation transition states. Chapters 3 and 4 focus on the quantification of lone pair – lone pair and sp²-CH/π interactions respectively, using molecular balances. These studies were carried out in the …

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Expanding On The Solid State Chemistry Of F-Element Chalcogenides, Logan Skyler Breton

Theses and Dissertations

An overarching goal in solid state chemistry is to achieve predictability regarding the synthesis of compounds with desired properties. While this goal is far from being reached, solid state chemists are hard at work synthesizing and characterizing new materials to further our understanding of structure-property relationships, and to expand our fundamental knowledge to rationalize the outcomes of solid-state syntheses. With the advent of new solid state synthetic methods, novel compounds exhibiting exciting properties are still being discovered today. The infancy of these synthetic methods promises a myriad of undiscovered compounds with potentially interesting properties which has resulted in a recent …

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Machine-Learning Classification To Predict The Dimensionality Of Hybrid Organic-Inorganic Halide Perovskites, Yatiwelle Koralalage Samuditha Sandaru Yatiwella

Theses and Dissertations

Low dimensional hybrid perovskites have demonstrated remarkable performance in photovoltaic applications, primarily due to their exceptional optical and electronic properties. As the search for potential candidates for novel materials continues, understanding the structure of these materials is crucial for investigating their stability. In this study, we implement a framework to find novel material based on a machine-learning model. The machine learning model was trained to predict the dimensionality of the polyhedral network based on the connectivity of the polyhedral network in different directions. The polyhedral connectivity of low-dimensional structures can be classified into three dimensions: 0D, 1D, and 2D. This …

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Computational Studies Of Bond Dissociation Energies And Organic Reaction Mechanisms, Shehani Thishakkya Wetthasinghe

Theses and Dissertations

This dissertation presents the progress of two independent projects. Chapter 2 and Chapter 3 focus on the first project, which involves material exploration utilizing machine learning techniques. We explore the potential use of cobaltocenium (CoCp⁺₂) derivatives as metal cations in anion exchange membranes (AEMs) for alkaline fuel cells, highlighting their superior thermal and alkaline stability compared to ammonium derivatives. The stability of CoCp⁺₂ can be fine-tuned by varying the substituent groups attached to the cyclopentadienyl ring (Cp) in CoCp⁺₂.These derivatives encompass a variety of electron-donating and electron-withdrawing groups as substituents on both …

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Identification Of New Disinfection Byproducts In Drinking Water And Impacts Of Algae, Md. Tareq Aziz

Theses and Dissertations

The disinfection of water has been hailed as one of the most important triumphs for public health in the 20th century. Drinking water treatment plants produce safe drinking water by inactivating microorganisms through the use of disinfectants, including chlorine, chloramine, chlorine dioxide, UV irradiation, and ozone. However, these disinfectants also produce toxic disinfection by-products (DBPs), through reactions with natural organic matter and anthropogenic pollutants, as well as bromide and iodide present in source waters. The presence of bromide and iodide results in the formation of bromo- and iodo-DBPs which are much more toxic than DBPs containing chlorine. DBPs are always …

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Adsorption Performance Of Mg0.33ni0.33co0.33fe2o4 Nanoparticles Doped With Gadolinium And Lanthanum For Lead (Ii) Removal, Mariam Rabaa, Amani Aridi, Ghassan Younes, Ramadan Awad

BAU Journal - Science and Technology

The issue of water pollution has become a major concern in recent times, and the need for effective strategies for treating contaminated water sources has become more urgent. One promising approach that has been gaining attention in the field of wastewater treatment is the use of nano-ferrites. In this regard, novel Mg_0.33Ni_0.33Co_0.33La_xFe_2-xO₄ and Mg_0.33Ni_0.33Co_0.33Gd_xFe_2-xO₄ nanoparticles (NPs), where x = 0.00, 0.01 and 0.08, were synthesized to test their adsorption performance for the removal of Pb (II). The structural …

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Effects Of Hydrogen/Deuterium Exchange On Protein Stability In Solution And In The Gas Phase, Yousef Haidar, Lars Konermann

Chemistry Publications

Mass spectrometry (MS)-based techniques are widely used for probing protein structure and dynamics in solution. H/D exchange (HDX)-MS is one of the most common approaches in this context. HDX is often considered to be a “benign” labeling method, in that it does not perturb protein behavior in solution. However, several studies have reported that D₂O pushes unfolding equilibria toward the native state. The origin, and even the existence of this protein stabilization remain controversial. Here we conducted thermal unfolding assays in solution to confirm that deuterated proteins in D₂O are more stable, with 2 – 4 …

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Scalable Preparation Of The Masked Acyl Cyanide Tbs-Mac, Haley Hinton, Jack Patterson, Jared Hume, Krunal Patel, Julie Pigza

Faculty Publications

This paper describes the three-step synthesis of TBS-MAC, a masked acyl cyanide (MAC) and a versatile one-carbon oxidation state three synthon. We have developed a scalable and detailed synthesis that involves: (1) acetylation of malononitrile to form the sodium enolate, (2) protonation of the enolate to form acetylmalononitrile, and (3) epoxidation of the enol, rearrangement to an unstable alcohol, and TBS-protection to form the title compound. Both the sodium enolate and acetylmalononitrile are bench-stable precursors to the intermediate hydroxymalononitrile, which can be converted to other MAC reagents beyond TBS by varying the protecting group (Ac, MOM, EE, etc.).

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Modeling Exciton Migration In Two-Dimensional Space, Christian D. Etnyre

DePaul Discoveries

Computational analysis through density matrix quantum mechanics was performed to model exciton migration in two-dimensional space for a zinc-substituted tetraazaphthalocyanine. The model produced resembles a two-dimensional sheet of molecules. Energy transport mechanisms, controlled by point dipole couplings, were evaluated while altering the size of the crystal lattice. It was determined that energy transport was much more significant with a decreasing size of the crystal lattice. Likewise, the result of increasing the size of the crystal lattice had the effect of dampening the rate of energy transport. It was of interest to determine, with varying crystal lattice dimensions, the time that …

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Colorful “Stars” In The Dark, Chao Jing, Yi-Tao Long

Journal of Electrochemistry

Plasmonic nanoparticles such as Au and Ag with localized surface plasmon resonance (LSPR) property exhibit unique scattering and absorption features. The plasmonic scattering and absorption bands are mainly located at visible light region which can be easily applied in visual detections. By modulating the size, shape, and composition of gold and silver colloid solutions, plenty of colorimetric methods have been constructed for the detection of metal ions, biomolecules, and environmental contaminants, etc. For many years, the LSPR-based measurements are implemented in reagent tubes. Since 2000, the plasmon resonance scattering (PRS) light of metal nanoparticles captured by dark-field microscopy enables the …

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Boronate Affinity-Assisted Electrochemically Controlled Atrp For Ultrasensitive Electrochemical Aptasensing Of Carcinoembryonic Antigen, Qiong Hu, Shi-Qi Li, Yi-Yi Liang, Wen-Xing Feng, Yi-Lin Luo, Xiao-Jing Cao, Li Niu

Journal of Electrochemistry

As an acidic glycoprotein, carcinoembryonic antigen (CEA) is of great value as a broad-spectrum tumor marker in the differential diagnosis and surveillance of malignant tumors. In this work, we report an electrochemical aptasensor for the ultrasensitive and highly selective detection of CEA, taking advantage of the dual amplification by the boronate affinity-assisted electrochemically controlled atom transfer radical polymerization (BA-eATRP). Specifically, the BA-eATRP-based electrochemical aptasensing of CEA involves the capture of target antigens by nucleic acid aptamers, the covalent crosslinking of ATRP initiators to CEA antigens via the selective interactions between the phenylboronic acid (PBA) group and the cis-diol group of …

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Metal-Organic Frameworks For Electrochemical And Electrochemiluminescent Immunoassay, Xiao-Li Qin, Zi-Ying Zhan, Sara Jahanghiri, Kenneth Chu, Cong-Yang Zhang, Zhi-Feng Ding

Journal of Electrochemistry

Development of ultrasensitive, highly accurate and selective immunosensors is significant for the early diagnosis, screening, and monitoring of diseases. Electrochemical and electrochemiluminescent (ECL) immunoassays have both attracted great attention and become a current research hotspot due to their advantages such as good stability, high sensitivity and selectivity, wide linear range, and good controllability. Metal-organic frameworks (MOFs), as a new class of porous crystalline materials, have been widely applied in electrochemical and ECL immunosensors owing to their large specific surface area, good chemical stability, as well as adjustable pore size and nanoscale framework structures. Various MOF nanomaterials with different properties for …

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Scanning Photoelectrochemical Microscopic Study In Photoinduced Electron Transfer Of Supramolecular Sensitizers-Tio2 Thin Films Systems, Sheng-Ya Zhang, Min Yao, Ze Wang, Tian-Jiao Liu, Rong-Fang Zhan, Hui-Qin Ye, Yan-Jun Feng, Xiao-Quan Lu

Journal of Electrochemistry

Crafting charge transfer channels at titanium dioxide (TiO₂) based photoanodes remain a pressing bottleneck in solar-to-chemical conversion technology. Despite the tremendous attempts, TiO₂ as the promising photoanode material still suffers from sluggish charge transport kinetics. Herein, we propose an assembly strategy that involves the axial coordination grafting metalloporphyrin-based photosensitizer molecules (MP) onto the surface-modified TiO₂ nanorods (NRs) photoanode, forming the composite MP/TiO₂ NRs photoelectrode. As expected, the resulted unique MP_B/TiO₂ NRs photoelectrode displays significantly improved photocurrent density as compared to TiO₂ NRs alone and MP_A/TiO₂ NRs photoelectrode. Scanning …

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Preface To The Special Issue On Interfactial Regulation And Electrochemical Sensors, Jing-Hong Li, Yang Tian, Yuan-Hong Xu, Li-Min Zhang

Journal of Electrochemistry

No abstract provided.

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Recent Advances In Electrochemical Impedance Spectroscopy-Based Pathogenic Bacteria Sensing, Tao Chen, Yuan-Hong Xu, Jing-Hong Li

Journal of Electrochemistry

Pathogenic bacteria have been throwing great threat on human health for thousands of years. Their real-time monitoring is in urgent need as it could effectively halt the spread of pathogenic bacteria and thus reducing the risk to human health. Up till now, diverse technologies such as electrochemistry, optics, piezoelectricity and calorimetry have been developed for bacteria sensing. Therein, electrochemical impedance spectroscopy (EIS)-based sensors show great potential in point-of-care bacterial analysis because of their low-cost, short read-out time, good reproducibility, and portable equipment construction. In this review, we will primarily summarize the typical applications of electrochemical impedance technology in bacteria sensing …

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Full-Text Articles in Physical Sciences and Mathematics

Cryogrinding And Physical Analysis Of A Thermoplastic Polyurethane Elastomer, Timothy E. Whitesell, Marcia Reeves, David L. Helm, Joseph S. Thrasher

Chemistry Summer Research Program

Big Data For A Deep Problem: Exploring Natural Deep Eutectic Solvent (Nades) Properties Through Rdkit And Data Analytics, Grayson Weavil, Lucas B. Ayres, Carlos D. Garcia

Chemistry Summer Research Program

Supramolecular Π-Donor/Acceptor Arrays Based On Metal-Organic Cage Inclusion Complexes, Sean Hannigan, Evan Thibodeaux, Sourav Saha

Chemistry Summer Research Program

Tuning Oxo Formation Energies Using Spectator Ligands In The Mil-100 Metal Organic Framework, Victoria E. Lee, Stephen P. Vicchio, Rachel B. Getman

Chemistry Summer Research Program

Using Alginate Beads Modified With Graphite As An Effective Electrode, Madeline Mchugh, Barbara G. S. Guinati, Carlos D. Garcia

Chemistry Summer Research Program

Polymersomes As Chemotherapeutic Agents For Non-Invasive Treatment Of Glioblastoma, Tj Fletcher, Molli Garifo, Jessica Larsen, Jessica Larsen

Chemistry Summer Research Program

Effects Of Low-Energy X-Rays And Uv Radiation On Fibroblast Cells, Michelle Gorodisky, Congyue Peng, Arianna Csiszer, Delphine Dean

Chemistry Summer Research Program

Accessing Rare Heterocycles From Alkynyl Ethers And Nitrogenous Electrophiles & The Development Of Small Molecule Inhibitors Against Naegleria Fowleri Infection, James W. D. Morris, Samuel Kwain, Daniel C. Whitehead

Chemistry Summer Research Program

Dynamics Of Ionizable Polymers In Ionic Liquid (Il) Using Nuclear Magnetic Resonance Spectroscopy, Sophie Ntipouna, Hayden Sasko, Shalika D. K. Meedin, Dvora Perahia

Chemistry Summer Research Program

Halogen Bonding In Nitrogen And Iodine Compounds To Form Novel Cocrystals, Dahlia Griffin, Ann Jiang, Colin D. Mcmillen, William T. Pennington

Chemistry Summer Research Program

Stimuli-Responsive Self-Folding Bilayer Polymer Thin Films, Astrid Garcia, Dimuthu Edirisinghe, Bogdan Oliy, George Chumanov

Chemistry Summer Research Program

Combining Alginate Beads With Methylene To Create A Biosensor To Assess The Quality Of Milk, Vivien Zheng, Barbara Guinati, Carlos D. Garcia

Chemistry Summer Research Program

Elucidating The Structure And Regulatory Interactions Of The Hotair Non-Coding Rna And The Bacterial Rnase P. Holoenzyme, Ainur Abzhanova

Dissertations (1934 -)

Study Of Digital Algan Alloy Based Heterostructures Using Aln/Gan Short Period Superlattice, Mohammad Kamal Hussain

Theses and Dissertations

The Synthesis Of Novel Rare Earth Thiosilicates Using The Boron Chalcogen Mixture Method For An Interest In Their Magnetic And Optical Properties, Adam Alexander King

Theses and Dissertations

Study Of Non-Covalent Interactions Using Molecular Rotors And Balances, Daniel Onyekachi Madukwe

Theses and Dissertations

Expanding On The Solid State Chemistry Of F-Element Chalcogenides, Logan Skyler Breton

Theses and Dissertations

Machine-Learning Classification To Predict The Dimensionality Of Hybrid Organic-Inorganic Halide Perovskites, Yatiwelle Koralalage Samuditha Sandaru Yatiwella

Theses and Dissertations

Computational Studies Of Bond Dissociation Energies And Organic Reaction Mechanisms, Shehani Thishakkya Wetthasinghe

Theses and Dissertations

Identification Of New Disinfection Byproducts In Drinking Water And Impacts Of Algae, Md. Tareq Aziz

Theses and Dissertations

Adsorption Performance Of Mg0.33ni0.33co0.33fe2o4 Nanoparticles Doped With Gadolinium And Lanthanum For Lead (Ii) Removal, Mariam Rabaa, Amani Aridi, Ghassan Younes, Ramadan Awad

BAU Journal - Science and Technology

Effects Of Hydrogen/Deuterium Exchange On Protein Stability In Solution And In The Gas Phase, Yousef Haidar, Lars Konermann

Chemistry Publications

Scalable Preparation Of The Masked Acyl Cyanide Tbs-Mac, Haley Hinton, Jack Patterson, Jared Hume, Krunal Patel, Julie Pigza

Faculty Publications

Modeling Exciton Migration In Two-Dimensional Space, Christian D. Etnyre

DePaul Discoveries

Colorful “Stars” In The Dark, Chao Jing, Yi-Tao Long

Journal of Electrochemistry

Boronate Affinity-Assisted Electrochemically Controlled Atrp For Ultrasensitive Electrochemical Aptasensing Of Carcinoembryonic Antigen, Qiong Hu, Shi-Qi Li, Yi-Yi Liang, Wen-Xing Feng, Yi-Lin Luo, Xiao-Jing Cao, Li Niu

Journal of Electrochemistry

Metal-Organic Frameworks For Electrochemical And Electrochemiluminescent Immunoassay, Xiao-Li Qin, Zi-Ying Zhan, Sara Jahanghiri, Kenneth Chu, Cong-Yang Zhang, Zhi-Feng Ding

Journal of Electrochemistry

Scanning Photoelectrochemical Microscopic Study In Photoinduced Electron Transfer Of Supramolecular Sensitizers-Tio2 Thin Films Systems, Sheng-Ya Zhang, Min Yao, Ze Wang, Tian-Jiao Liu, Rong-Fang Zhan, Hui-Qin Ye, Yan-Jun Feng, Xiao-Quan Lu

Journal of Electrochemistry

Preface To The Special Issue On Interfactial Regulation And Electrochemical Sensors, Jing-Hong Li, Yang Tian, Yuan-Hong Xu, Li-Min Zhang

Journal of Electrochemistry

Recent Advances In Electrochemical Impedance Spectroscopy-Based Pathogenic Bacteria Sensing, Tao Chen, Yuan-Hong Xu, Jing-Hong Li

Journal of Electrochemistry