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Sensitive Identification of Virus Antigen and Viral Load Using Deep Learning-Assisted Sers: Practical Spray Coating of True Solutions of Silver Inks

SSRN

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SSRN 2024年

作者： Sahin, Furkan Sahin, Gamze Demirel Camdal, Ali Akmayan, Ilkgul Ozbek, Tulin Acar, Serap Onses, Mustafa Serdar ERNAM - Erciyes University Nanotechnology Application and Research Center Kayseri38039 Turkey Department of Biomedical Engineering Faculty of Engineering and Architecture Beykent University Istanbul34398 Turkey Department of Biomedical Engineering Yildiz Technical University Istanbul34220 Turkey Department of Electronic Engineering Trinity College Dublin Dublin 2 College Green Dublin 2 Ireland Department of Molecular Biology and Genetics Faculty of Arts and Sciences Yildiz Technical University Istanbul34220 Turkey Department of Bioengineering Faculty of Chemical and Metallurgical Yildiz Technical University Istanbul34220 Turkey Department of Materials Science and Engineering Erciyes University Kayseri38039 Turkey UNAM Institute of Materials Science and Nanotechnology Bilkent University Ankara06800 Turkey

The early and sensitive diagnosis of virus-associated diseases and viral load is crucial for the healthcare system. Surface-enhanced Raman spectroscopy (SERS) has long been recognized for its rapid and sensitive detection capabilities;however, challenges persist in practical fabrication of the substrates and interpreting complex data. Herein, we propose a deep learning (DL) assisted SERS approach to enable rapid and sensitive detection of virus-associated diseases on a practical yet highly effective substrates prepared by direct spray-coating of a nanoparticle-free true solution of a reactive Ag ink and on-site thermal annealing mediated generation of nanostructures. This design ensured homogeneous distribution of Ag nanostructures throughout the entire substrate, significantly increasing the number of hotspots and enhancing the Raman signals due to the strong electric field, thereby achieving an impressive analytical enhancement factor of ~1010 in a reproducible and consistent manner. The diagnostic utility of this platform was validated by detecting the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike (S) protein in both buffer and saliva, with detection limits of 74.3 pg/mL and 7.43 ng/mL, respectively. The DL-assisted SERS not only accurately identified the presence or absence of viral antigen, but also automatically quantified the viral load. This automatic identification achieved an outstanding accuracy of ~99.9%, highlighting the exceptional performance of the proposed platform. This simple, cost-effective, scalable, and ultra-sensitive DL-assisted SERS platform offers significant opportunities for early and precise detection of viral diseases. © 2024, The Authors. All rights reserved.

关键词： Antigens

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Synergistic Polydopamine/Graphene Oxide Hybrids: Elevating Electrochemical Performance

ACS Electrochemistry

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ACS Electrochemistry 2025年第4期1卷 453-464页

作者： Busra Ozlu Saimon Moraes Silva Simon E. Moulton Bong Sup Shim Program in Biomedical Science & Engineering Inha University 100 Inha-ro Michuhol-gu Incheon 22212 Republic of Korea Department of Biochemistry and Chemistry La Trobe Institute for Molecular Science The Biomedical and Environmental Sensor Technology (BEST) Research Centre La Trobe University Melbourne Victoria 3086 Australia ARC Centre of Excellence for Electromaterials Science Faculty of Science Engineering and Technology Swinburne University of Technology Hawthorn Victoria 3122 Australia；Aikenhead Centre for Medical Discovery St Vincent’s Hospital Melbourne Melbourne Victoria 3065 Australia；Iverson Health Innovation Research Institute Swinburne University of Technology Melbourne Victoria 3122 Australia Program in Biomedical Science & Engineering Inha University 100 Inha-ro Michuhol-gu Incheon 22212 Republic of Korea；Department of Chemical Engineering Inha University 100 Inha-ro Michuhol-gu Incheon 22212 Republic of Korea

Melanin, a natural biopolymer with a conjugated backbone, stands out as a promising candidate for bioelectronics owing to its redox activity, metal ion chelation, hydration-dependent electrical response, wet adhesion, potential electronic transport, anti-inflammatory properties, and excellent thermal stability. In this study, we explore the impact of hybridizing liquid crystalline graphene oxide (LCGO) into the conductive melanin-like polymer polydopamine (PDA) on the morphology, stability, and synergistic electrochemical performance. Our findings reveal that the gold electrode coated with PDA:LCGO composites exhibit more than two orders of magnitude lower impedance and more than 100 times higher charge storage capacity compared to both bare gold electrodes and those coated with pure PDA. Furthermore, we demonstrate that the morphology and the electrode performance could be tuned by adjusting the synthesis parameters in the PDA:LCGO electrochemical deposition. This PDA:LCGO composite, with its superior electrochemical performance, holds promise for diverse bioelectronics applications ranging from biosensors to implantable bionic interfaces.

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Segmented Au/PtCo heterojunction nanowires for efficient formic acid oxidation catalysis

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Fundamental Research 2021年第4期1卷 453-460页

作者： Yingjun Sun Bolong Huang Yingjie Li Yingnan Qin Ziqi Fu Mingzi Sun Lei Wang Shaojun Guo School of Materials Science and Engineering Peking UniversityBeijing100871China College of Chemistry and Molecular Engineering Qingdao University of Science and TechnologyQingdao 266042China Department of Applied Biology and Chemical Technology The Hong Kong Polytechnic UniversityHung HomKowloon 999077Hong Kong SARChina BIC-ESAT College of EngineeringPeking UniversityBeijing100871China

Exploring a new strategy for the removal of adsorbed CO (CO^(*)) on a Pt surface at a low potential is the key to achieving enhanced catalysis for the formic acid oxidation reaction (FAOR);however, the development of such a strategy remains a significant challenge. Herein, we report a class of Au/PtCo heterojunction nanowires (HNWs) as efficient electrocatalysts for accelerating the FAOR. This heterojunction structure and the induced Co alloying effects can facilitate formic acid adsorption/activation on Pt with high CO tolerance, generating the FAOR pathway from dehydration to dehydrogenation. The optimized Au_(23)/Pt_(63)Co_(14) HNWs showed the highest specific and mass activities of 11.7 mA cm^(−2)Pt and 6.42 A mg^(−1)Pt reported to date, respectively, which are considerably higher than those of commercial Pt/C. DFT calculations confirmed that the electron-rich Au segment enhances the electronic activity of the PtCo NWs, which not only allows the construction of a highly efficient electron transfer channel for the FAOR but also suppresses CO formation.

关键词： Formic acid oxidation reaction Pt-based catalyst Heterojunction structure Nanowires Electrocatalysis

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Out-of-plane displacement of quantum color centers in monolayer h-BN

arXiv

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arXiv 2025年

作者： Tang, Zhao Jia, Fanhao Kim-Reyes, Greis J. Wu, Yabei Chelikowsky, James R. Zhang, Peihong Department of Physics University at Buffalo State University of New York BuffaloNY14260 United States Center for Computational Materials Oden Institute for Computational Engineering and Sciences The University of Texas at Austin AustinTX78712 United States Department of Physics School of Sciences Hangzhou Dianzi University Hangzhou310018 China School of Materials Science and Engineering International Centre of Quantum and Molecular Structures Shanghai University Shanghai200444 China Department of Physics and Astronomy State University of New York at New Paltz New PaltzNY12561 United States Department of Materials Science and Engineering Southern University of Science and Technology Guangdong Shenzhen518055 China Department of Physics The University of Texas at Austin AustinTX78712 United States McKetta Department of Chemical Engineering The University of Texas at Austin AustinTX78712 United States

Color centers exhibiting deep-level states within the wide bandgap h-BN monolayer possess substantial potential for quantum applications. Uncovering precise geometric characteristics at the atomic scale is crucial for understanding defect performance. In this study, first-principles calculations were performed on the most extensively investigated CBVN and NBVN color centers in h-BN, focusing on the out-of-plane displacement and their specific impacts on electronic, vibrational, and emission properties. We demonstrate the competition between the σ*-like antibonding state and the π-like bonding state, which determines the out-of-plane displacement. The overall effect of vibronic coupling on geometry is elucidated using a pseudo Jahn-Teller model. Local vibrational analysis reveals a series of distinct quasi-local phonon modes that could serve as fingerprints for experimental identification of specific point defects. The critical effects of out-of-plane displacement during the quantum emission process are carefully elucidated to answer the distinct observations in experiments, and these revelations are universal in quantum point defects in other layered materials. © 2025, CC BY.

关键词： Color centers

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On the origin of anomalous hysteresis in graphite/boron nitride transistors

arXiv

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arXiv 2024年

作者： Waters, Dacen Waleffe, Derek Thompson, Ellis Arreguin-Martinez, Esmeralda Fonseca, Jordan Poirier, Thomas Edgar, James H. Watanabe, Kenji Taniguchi, Takashi Xu, Xiaodong Cobden, David Yankowitz, Matthew Department of Physics University of Washington SeattleWA98195 United States Intelligence Community Postdoctoral Research Fellowship Program University of Washington SeattleWA98195 United States Department of Materials Science and Engineering University of Washington SeattleWA98195 United States Tim Taylor Department of Chemical Engineering Kansas State University Durland Hall ManhattanKS United States Research Center for Electronic and Optical Materials National Institute for Materials Science 1-1 Namiki Tsukuba305-0044 Japan Research Center for Materials Nanoarchitectonics National Institute for Materials Science 1-1 Namiki Tsukuba305-0044 Japan

Field-effect devices constructed by stacking flakes of van der Waals (vdW) materials, with hexagonal boron nitride (hBN) playing the role of gate dielectric, often exhibit virtually no hysteresis in their characteristics. This permits exquisitely detailed studies of diverse gate-voltage-tuned phenomena in vdW devices. Recently, however, a dramatic form of gate hysteresis, sometimes called the "gate doesn't work" (GDW) or "electron ratchet" effect, has been seen in certain individual vdW devices that seem otherwise unexceptional [1-10]. When it occurs, this hysteresis phenomenon is striking and robust, yet it is difficult to reliably reproduce between devices and, largely as a result, its origin remains disputed. Most devices where it has been seen have a bilayer graphene channel and nominal rotational alignment between the graphene and hBN, which has engendered explanations based on properties of bilayer graphene combined with moiré effects [1, 2, 6]. Here, we report our studies of the phenomenon observed in devices that have multilayer graphene channels. We find that the effect can occur in devices with graphite channels that have many more than two graphene layers, in which case it is unambiguously associated with just one surface of the graphite. It can also survive to room temperature, occur in the absence of intentional rotational alignment with hBN, persist when a monolayer of WSe2 is inserted between the graphene and hBN, and exhibit continuous relaxation on timescales of hours or longer. These observations impose strong constraints on the origin of this puzzling phenomenon, which has exciting potential applications if it can be mastered [4, 10, 11]. Copyright © 2024, The Authors. All rights reserved.

关键词： Van der Waals forces

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Electronic and Optical Excitations in van der Waals materials from a Non-Empirical Wannier-Localized Optimally-Tuned Screened Range-Separated Hybrid Functional

arXiv

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arXiv 2024年

作者： Camarasa-Gómez, María Gant, Stephen E. Ohad, Guy Neaton, Jeffrey B. Ramasubramaniam, Ashwin Kronik, Leeor Department of Molecular Chemistry and Materials Science Weizmann Institute of Science Rehovoth7610001 Israel Department of Physics University of California BerkeleyCA94720 United States Materials Sciences Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Kavli Energy NanoSciences Institute at Berkeley University of California BerkeleyCA94720 United States Department of Mechanical and Industrial Engineering University of Massachusetts Amherst AmherstMA01003 United States Materials Science and Engineering Graduate Program University of Massachusetts AmherstMA01003 United States

Accurate prediction of electronic and optical excitations in van der Waals (vdW) materials is a long-standing challenge for density functional theory. The recently proposed Wannier-localized optimally-tuned screened range-separated hybrid (WOT-SRSH) functional has proven successful in non-empirical determination of electronic band gaps and optical absorption spectra for various covalent and ionic crystals. However, for vdW materials the tuning of the material- and structure-dependent functional parameters has, until now, only been attained semi-empirically. Here, we present a non-empirical WOT-SRSH approach applicable to vdW materials, with the optimal functional parameters transferable between monolayer and bulk. We apply this methodology to prototypical vdW materials: black phosphrous, moldybdenum disulfide, and hexagonal boron nitride (in the latter case including zero-point renormalization). We show that the WOT-SRSH approach consistently achieves accuracy levels comparable to experiments and ab initio many-body perturbation theory (MBPT) calculations for band structures and optical absorption spectra, both on its own and as an optimal starting point for MBPT calculations. Copyright © 2024, The Authors. All rights reserved.

关键词： Energy gap

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Potential of caffeic acid as an effective natural antioxidant for polypropylene-polyethylene copolymers: A DFT and experimental study

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Current Research in Green and Sustainable Chemistry 2024年 9卷

作者： Hernández Fernández, Joaquín Alejandro Ortiz Paternina, Katherine Liset López Martínez, Juan Chemistry Program Department of Natural and Exact Sciences University of Cartagena Chemical Engineering Program School of Engineering Universidad Tecnológica de Bolivar Parque Industrial y Tecnológico Carlos Velez Pombo Department of Natural and Exact Science Universidad de la Costa Polytechnical University of Valencia (UPV) Institute of Materials Technology (ITM)

Caffeic acid (CAF) i is a polyphenolic compound commonly found in plants, valued for its ability to act as an antioxidant. This study focused on investigating the impact of a natural antioxidant, specifically caffeic acid (CAF), compared to two synthetic antioxidants, butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT), on the thermal stability of propylene/ethylene copolymer (C-PP/PE), Aiming to establish a theoretical framework for the advancement of novel polymeric antioxidant compounds. Theoretical calculations were conducted to determine each compound's thermodynamic properties and antioxidant activity. The phenolic hydroxyl bond dissociation enthalpy (BDE) values revealed that BHA had the lowest value (325.6 kJ mol⁻¹), trailed by CAF (328.2 kJ mol⁻¹) and BHT (341.3 kJ mol⁻¹), indicating a higher electron-donating capacity of BHA. Transition energy (TS) calculations indicated that BHA had the lowest TS energy (49.29 kJ mol⁻¹), succeeded by CAF (57.61 kJ mol⁻¹) and then BHT (75.57 kJ mol⁻¹), suggesting greater efficiency in radical scavenging. Additionally, the obtained rate constants showed that CAF had the highest hydrogen abstraction rate (k = 1.05 × 10⁵ M⁻¹ s⁻¹), followed by BHA (k = 1.17 × 10⁴ M⁻¹ s⁻¹), and then BHT (k = 4.2 × 10³ M⁻¹ s⁻¹). These results support the effectiveness of CAF as a potentially more active antioxidant. In the experimental part of this study, it was observed that C-PP/PE with BHA showed a lower melt flow index (MFI) (8.51), indicating more excellent thermal stability. On the other hand, samples containing natural caffeic acid extracts exhibited a gradual decrease in MFI with increasing CAF concentration (MFI of 9.4, 8.82, 7.59, 6.44, and 5.98 for concentrations of 0.025, 0.05, 0.075, 0.1, and 0.125 ppm, respectively), suggesting a progressive improvement in the thermal stability of C-PP/PE

关键词： Activation energy Antioxidant Bond dissociation energy Caffeic acid MFI Stability

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Nature-inspired supramolecular assemblies for precise biomedical imaging and therapy

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Acta Pharmaceutica Sinica B 2022年第10期12卷 4008-4010页

作者： Yamin Liu Qiyue Wang Fangyuan Li Daishun Ling Frontiers Science Center for Transformative Molecules School of Chemistry and Chemical EngineeringNational Center for Translational MedicineShanghai Jiao Tong UniversityShanghai 200240China Department of Chemistry Shanghai Key Laboratory of Molecular Catalysis and Innovative MaterialsFudan UniversityShanghai 200438China Institute of Pharmaceutics College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China Hangzhou Institute of Innovative Medicine Zhejiang UniversityHangzhou 310058China

To the editor:The precise diagnosis and effective therapy of refractory diseases,such as neurodegenerative diseases,coronary heart diseases and cancers,is critical to increase the survival rate and improve the life quality of *** of the conventional small molecular medicines are heavily associated with the limitations of poor solubility,low targeting efficiency,inducing drug resistance and systemic toxicity,promoting scientists to develop new strategies for overcoming these limitations.

关键词： Supramolecular assembly Biomedical applications Diagnosis Therapy Nature-inspired

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Galvanic replacement reaction for in situ fabrication of litchi-shaped heterogeneous liquid metal-Au nano-composite for radio-photothermal cancer therapy

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Bioactive materials 2021年第3期6卷 602-612页

作者： Zhenhu Guo Jingsong Lu Dan Wang Wensheng Xie Yongjie Chi Jianzhong Xu Nonaka Takuya Junxin Zhang Wanling Xu Fei Gao Hong Wu Lingyun Zhao State Key Laboratory of Powder Metallurgy Powder Metallurgy Research InstituteCentral South UniversityChangshaHunan410083China Key Laboratory of Advanced Materials Ministry of Education of ChinaSchool of Materials Science and EngineeringTsinghua UniversityBeijing100084China State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing100084China Research Center of Magnetic and Electronic Materials College of Materials Science and EngineeringZhejiang University of TechnologyHangzhouZhejiang310014China Department of Nanoengineering Chemical Engineering Programand Moores Cancer CenterUniversity of California San DiegoLa JollaCA92093United States The Key Laboratory of Bioorganic Phosphorus Chemistry&Chemical Biology(Ministry of Education) Department of ChemistryTsinghua UniversityBeijing100084China School of Earth Sciences and Resources China University of Geosciences(Beijing)Beijing100083China Shaanxi University of Chinese Medicine Xi'anShanxi712046China

With tremendous research advances in biomedical application,liquid metals(LM)also offer fantastic chemistry for synthesis of novel ***,as a pioneering trial,litchi-shaped heterogeneous eutectic gallium indium-Au nanoparticles(EGaIn-Au NPs),served as effective radiosensitizer and photothermal agent for radio-photothermal cancer therapy,have been successfully prepared using in situ interfacial galvanic replacement *** enhanced photothermal conversion efficiency and boosted radio-sensitization effect could be achieved with the reduction of Au nanodots onto the eutectic gallium indium(EGaIn)NPs *** importantly,the growth of tumor could be effectively inhibited under the combined radio-photothermal therapy mediated by EGaIn-Au *** by this approach,in situ interfacial galvanic replacement reaction may open a novel strategy to fabricate LM-based nano-composite with advanced multi-functionalities.

关键词： Au nanodots Gallium Galvanic replacement reaction Indium Radio-photothermal therapy

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Light-induced Weyl semiconductor-to-metal transition mediated by Peierls instability

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Physical Review B 2022年第20期106卷 205118-205118页

作者： Honglie Ning Omar Mehio Chao Lian Xinwei Li Eli Zoghlin Preston Zhou Bryan Cheng Stephen D. Wilson Bryan M. Wong David Hsieh Institute for Quantum Information and Matter California Institute of Technology Pasadena California 91125 USA Department of Physics California Institute of Technology Pasadena California 91125 USA Department of Chemical and Environmental Engineering Materials Science and Engineering Program and Department of Physics and Astronomy University of California Riverside California 92521 USA Materials Department University of California Santa Barbara California 93106 USA

Elemental tellurium is a strongly spin-orbit coupled Peierls-distorted semiconductor whose band structure features topologically protected Weyl nodes. Using time-dependent density functional theory calculations, we show that impulsive optical excitation can be used to transiently control the amplitude of the Peierls distortion, realizing a mechanism to switch tellurium between three states: Weyl semiconductor, Weyl metal, and non-Weyl metal. Further, we present experimental evidence of this inverse Peierls distortion using time-resolved optical second harmonic generation measurements. These results provide a pathway to multifunctional ultrafast Weyl devices and introduce Peierls systems as viable hosts of light-induced topological transitions.

关键词： Electron-phonon coupling Optical phonons Peierls transition Topological materials Topological phase transition Topological phases of matter Density functional theory Optical second-harmonic generation Time-resolved infrared spectroscopy

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