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Different submicellar solubilization mechanisms revealed by 1H NMR and 2D diffusion ordered spectroscopy (DOSY)

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Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP00429D, Paper
Mengjian Wu, Zhaoxia Wu, Shangwu Ding, Zhong Chen, Xiaohong Cui
Different submicellar solubilization mechanisms of two systems, Triton X-100/tetradecane and sodium dodecyl sulfate (SDS)/butyl methacrylate, are revealed on the molecular scale by 1H NMR spectroscopy and 2D diffusion ordered spectroscopy (DOSY).
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Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS2 nanopores

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Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP00484G, Paper
João P. K. Abal, José Rafael Bordin, Marcia C. Barbosa
In this paper we show how distinct water and ion models affect the simulation of water purification using MoS2 nanopores.
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Prediction of new thermodynamically stable ZnN2O3 at high pressure

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Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP00813C, Paper
Chunhong Ma, Jianyan Lin, Guochun Yang
Pressure-induced stable ZnN2O3 ternary compound with a wide band-gap.
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The excited-state relaxation mechanism of potential UVA-activated phototherapeutic molecules: trajectory surface hopping simulations of both 4-thiothymine and 2,4-dithiothymine

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Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01450H, Paper
Jun Cao, Dong-chu Chen
Both molecules share energetically accessible crossing pathways, but have differences in atomic details during excited state relaxation.
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Mixed uranyl and neptunyl cation–cation interaction-driven clusters: structures, energetic stability, and nuclear quadrupole interactions

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Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01068E, Paper
Paweł Tecmer, Frank Schindler, Aleksandra Leszczyk, Katharina Boguslawski
We present a quantum-chemical study of mixed CCI clusters, their structures, energetic stability, and nuclear quadrupole interactions.
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C-H oxidation enhancement on gold nanoisland by atomic-undercoordination induced polarization

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Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01117G, Paper
Zezhou Lin, Hajime Hirao, Changqing Sun, Xi Zhang
C–H activation is of great significance in chemical industry while the effective solvent-free catalyst is highly desired. This work shows that gold nanoisland which was inert in bulk is effective...
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Quantum chemical study of substituent effects on CN bond in aryl isocyanide molecules adsorbed on the Pt surface

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Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP00760A, Paper
Ben Wang, Min Gao, Kohei Uosaki, Tetsuya Taketsugu
A periodic implemented scheme of natural bond orbital (NBO) theory and normal mode analysis have been employed to investigate a chemical bond strength tendency for aryl isocyanide molecules with different...
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Micro-structural dependent oxygen reduction reaction in Ruddlesden Popper perovskite (SmSr)NiO4-δ

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Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP00433B, Paper
Manisha Chauhan, Pardeep K Jha, Ajay Shankar Bangwal, Priyanka Arora Jha, Prabhakar Singh
Rare earth nickelates Perovskites have very wide applicability, including magnetic insulators as well as conducting materials for various components of solid oxide fuel cells (SOFCs) due to occurrence of an...
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Role of divalent cation (Ba) substitution in the Li+ ion conductor LiTi2(PO4)3: a molecular dynamics study

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Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01053G, Paper
Kartik Sau, Tamio Ikeshoji, Supriya Roy
Influence of Ba2+ ordering on cationic diffusion: (a) three-dimensional low Li+ ion diffusion using randomly substituted Ba2+, and (b) two-dimensional layered type high Li+ ion diffusion using specifically ordered substitution of Ba2+.
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Long-range potentials and dipole moments of the CO electronic states converging to the ground dissociation limit

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Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01696A, Paper
Vladimir G. Ushakov, Vladimir Meshkov, Aleksander Yu Ermilov, Andrey Stolyarov, Iouli Gordon, Emile S Medvedev
The asymptotic, R→∞, behavior of the potential-energy and dipole-moment functions (PEFs and DMFs) for all six (1,2)Σ+, (1,2)Π, Σ-, and ∆ electronic states converging to the ground C(3P) + O(3P)...
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Kinetics of 1H-13C multiple-contact cross-polarization as a powerful tool to determine the structure and dynamics of complex materials : application to graphene oxide

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Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP00454E, Paper
Jesus Raya, Alberto Bianco, Jerome Hirschinger
Hartmann-Hahn cross-polarization (HHCP) is the most widely used solid-state NMR technique to enhance the magnetization of dilute spins from abundant spins. Furthermore, as the kinetics of CP depends on dipolar...
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Effects of Mixing between Short-chain and Branched-chain Alcohols in Protonated Clusters

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Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01116A, Paper
Po-Jen Hsu, Takahiro Shinkai, Pei-Han Tai, Asuka Fujii, Jer-Lai Kuo
The previous analysis on the neat protonated branched-chain alcohol clusters has revealed the impact of steric repulsion and dispersion of the bulky alkyl group to the hydrogen-bonded (H-bonded) structures and...
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Dynamical Signatures from Competing, Nonadiabatic Fragmentation Pathways of S-Nitrosothiophenol

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Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP00941E, Paper
K. Jacob Blackshaw, Marcus Marracci, Robert T. Korb, Naa-Kwarley Quartey, Annalise K. Ajmani, David J. Hood, Christopher J Abelt, Belinda Ortega, Kate Luong, Andrew S. Petit, Nathanael M Kidwell
S-Nitrosothiols (RSNOs) are derived from the combination of sulfur and nitric oxide (NO) radicals in the Earth’s atmosphere and fragment to products following photolysis. Extensive theoretical studies have focused on...
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[ASAP] Systematic Investigation of the Scope of Transannular C–H Heteroarylation of Cyclic Secondary Amines for Synthetic Application in Medicinal Chemistry

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Published On :: Tue, 28 Apr 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00870


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[ASAP] One-Pot C–H Arylation/Lactamization Cascade Reaction of Free Benzylamines

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Published On :: Wed, 29 Apr 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00542


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[ASAP] Construction of Dihydropyrido[2,3-<italic toggle="yes">d</italic>]pyrimidine Scaffolds via Aza-Claisen Rearrangement Catalyzed by <italic toggle="yes">N</italic>-Heterocyclic Carbenes

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Published On :: Wed, 29 Apr 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00657


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[ASAP] Mechanistic Study on a BINOL–Coumarin-Based Probe for Enantioselective Fluorescent Recognition of Amino Acids

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Published On :: Thu, 30 Apr 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00074


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[ASAP] Palladium-Catalyzed Cycloaddition of Alkynylimines, Double Isocyanides, and H<sub>2</sub>O/KOAc

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Published On :: Thu, 30 Apr 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00323


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[ASAP] Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones

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Published On :: Fri, 01 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.9b03504


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[ASAP] Synthesis of an Aminooxy Derivative of the GM3 Antigen and Its Application in Oxime Ligation

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Published On :: Fri, 01 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00320


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[ASAP] Anchimerically Assisted Selective Cleavage of Acid-Labile Aryl Alkyl Ethers by Aluminum Triiodide and <italic toggle="yes">N</italic>,<italic toggle="yes">N</italic>-Dimethylformamide Dimethyl Acetal

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Published On :: Fri, 01 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00290


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[ASAP] Chemoselective Rhodium-Catalyzed Borylation of Bromoiodoarenes Under Mild Conditions

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Published On :: Fri, 01 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00178


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[ASAP] Regiodivergent Synthesis of Penta-Substituted Pyrroles through a Cascade [3 + 2] Cyclization of C-Acylimines with Activated Alkynes and Aromatic Nucleophiles

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Published On :: Fri, 01 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00712


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[ASAP] Synthesis of Water-Soluble Thioglycosylated <italic toggle="yes">trans</italic>-A<sub>2</sub>B<sub>2</sub> Type Porphyrins: Cellular Uptake Studies and Photodynamic Efficiency

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Published On :: Mon, 04 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.9b03491


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[ASAP] Photochemically Mediated Nickel-Catalyzed Synthesis of <italic toggle="yes">N</italic>-(Hetero)aryl Sulfamides

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Published On :: Mon, 04 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00139


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[ASAP] Discovery of an Isothiazolinone-Containing Antitubercular Natural Product Levesquamide

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Published On :: Mon, 04 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00339


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[ASAP] Chiral Vanadyl(V) Complexes Enable Efficient Asymmetric Reduction of ß-Ketoamides: Application toward (<italic toggle="yes">S</italic>)-Duloxetine

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Published On :: Mon, 04 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00221


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[ASAP] A Condensed, Scalable Synthesis of Racemic Koningic Acid

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Published On :: Mon, 04 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00344


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[ASAP] Deactivation of Secondary Amine Catalysts via Aldol Reaction–Amine Catalysis under Solvent-Free Conditions

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Published On :: Tue, 05 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00665


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[ASAP] Quantitative Kinetic Modeling in Photoresponsive Supramolecular Chemistry: The Case of Water-Soluble Azobenzene/Cyclodextrin Complexes

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Published On :: Tue, 05 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00461


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[ASAP] The Synthesis of Functionalized 3-Aryl- and 3-Heteroaryloxazolidin-2-ones and Tetrahydro-3-aryl-1,3-oxazin-2-ones via the Iodocyclocarbamation Reaction: Access to Privileged Chemical Structures and Scope and Limitations of the Method

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Published On :: Tue, 05 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.9b03400


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[ASAP] Oxaazabicyclooctene Oxides, Another Type of Bridgehead Nitrones: Diastereoselective Assembly from Acetylene Gas, Ketones, and Hydroxyl Amine

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Published On :: Thu, 07 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00742


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[ASAP] a-Imino Iridium Carbenes from Imidoyl Sulfoxonium Ylides: Application in the One-Step Synthesis of Indoles

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Published On :: Thu, 07 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00833


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[ASAP] Synthesis of a Pseudodisaccharide Suitable for Synthesis of Ring I Modified 4,5-2-Deoxystreptamine Type Aminoglycoside Antibiotics

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Published On :: Fri, 08 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00743


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[ASAP] Palladium-Catalyzed Synthesis of <italic toggle="yes">N</italic>,<italic toggle="yes">N-</italic>Dimethylanilines via Buchwald–Hartwig Amination of (Hetero)aryl Triflates

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Published On :: Fri, 08 May 2020 04:00:00 GMT

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00491


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A DNA tetrahedron nanoprobe-based fluorescence resonance energy transfer sensing platform for intracellular tumor-related miRNA detection

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Analyst, 2020, Advance Article
DOI: 10.1039/C9AN02610J, Paper
Jiaxue Gao, Hua Zhang, Zhenxin Wang
A DNA tetrahedron nanoprobe (DTNP)-based sensing platform for sensitive and selective detection of miRNA via FRET with DNA assisted amplification.
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Electrochemical biosensing platforms on the basis of reduced graphene oxide and its composites with Au nanodots

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Analyst, 2020, Advance Article
DOI: 10.1039/C9AN02592H, Paper
Liang Mei, Qingyong Zhang, Min Du, Zhiyuan Zeng
rGO and AuNDs-rGO, synthesized by a simple photochemical reduction method, are used for electrochemical biosensors and show good glucose detection.
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Lipidomic profiling of virus infection identifies mediators that resolve herpes simplex virus-induced corneal inflammatory lesions

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Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00263A, Paper
Cuiping Zhang, Zuojian Hu, Ke Wang, Lujie Yang, Yue Li, Hartmut Schlüter, Pengyuan Yang, Jiaxu Hong, Hongxiu Yu
11(12)-EET derived from arachidonic acid (AA) inhibits Herpes Simplex Virus (HSV) replication.
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An enzyme inhibition-based lab-in-a-syringe device for point-of-need determination of pesticides

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Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00382D, Paper
Limin Yang, Jinxin Wang, Linjiao Qu, Zhen Liu, Lei Jiang
An enzyme inhibition-based lab-in-a-syringe (EI-LIS) device was developed by integrating a 1-naphthol-linked bi-enzymatic reaction (sensor core) into the LIS (sensor device) for point-of-need monitoring of pesticide residues.
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Logic-signal-based Multiplex Detection of MiRNAs with High Tension Hybridization and Multiple Signal Amplification

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Analyst, 2020, Accepted Manuscript
DOI: 10.1039/D0AN00550A, Paper
Yaqin Tang, Xiao He, Rui Yan, Xingming Liu, Yi Zhao, Tingting Wang, Hui Chen, Xuli Feng
MicroRNAs (miRNAs) are crucial regulators of gene expression. The abnormal expression of miRNA is often closely related to many diseases. However, the accurate clinical profiling of miRNA expression remains a...
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Multifunctional red carbon dots: a theranostic platform for magnetic resonance imaging and fluorescence imaging-guided chemodynamic therapy

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Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00267D, Paper
Wentao Wang, Qicheng Zhang, Ming Zhang, Yihan Liu, Jian Shen, Ninglin Zhou, Xiaoyuan Lu, Changhong Zhao
In recent years, carbon dots (CDs) with red-emitting wavelengths have received increasing attention in cancer therapy and imaging.
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A high-throughput targeted metabolomics method for the quantification of 104 non-polar metabolites in cholesterol, eicosanoid, and phospholipid metabolism: application in the study of a CCl4-induced liver injury mouse model

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Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00385A, Paper
Mengqi Jia, Zhangxiao Peng, Kaige Yang, Changqing Su, Yan Wang, Chao Yan
Experimental workflow of 104 non-polar metabolites in cholesterol, eicosanoid, and phospholipid metabolisms analysis using UPLC-QqQ-MS.
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Target triggered ultrasensitive electrochemical polychlorinated biphenyl aptasensor based on DNA microcapsules and nonlinear hybridization chain reaction

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Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00065E, Paper
Ting Han, Shaozhen Wang, Feifan Sheng, Sicheng Wang, Tianyue Dai, Xiaojun Zhang, Guangfeng Wang
In this work, we demonstrated an ultrasensitive detection platform for polychlorinated biphenyls (PCBs) based on DNA microcapsules and a nonlinear hybridization chain reaction (NHCR).
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Rapid and sensitive detection of NGAL for the prediction of acute kidney injury via a polydopamine nanosphere/aptamer nanocomplex coupled with DNase I-assisted recycling amplification

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Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00474J, Paper
Yiting Hu, Xie-an Yu, Ying Zhang, Ran Zhang, Xuefei Bai, Mi Lu, Jiwei Li, Lifei Gu, Ji-Hua Liu, Bo-Yang Yu, Jiangwei Tian
A rapid and sensitive method for NGAL detection has been developed to predict acute kidney injury and evaluate the protective effect of drug on renal disease.
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A Novel Strategy of Rhodamine B-based Fluorescent Probe for Selective Response of Glutathione to Serve as Bioimaging in Living Cells

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Analyst, 2020, Accepted Manuscript
DOI: 10.1039/D0AN00582G, Paper
Zhipeng Li, Wei Xiong, Xiaojun He, Xiaoliang Qi, Feng Ding, Jianliang Shen
To overcome the reported shortcomings of the glutathione (GSH) detection of rhodamine based fluorescent probes, such as poor selectivity to thiol groups and reversible unstable covalent binding with the thiol...
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Profiling of immune-cancer interactions at the single cell level using microfluidic well array

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Analyst, 2020, Accepted Manuscript
DOI: 10.1039/D0AN00110D, Paper
Honglei Tu, Zhuhao Wu, Yu Xia, Hui Chen, Hang Hu, Zhao Ding, Fuling Zhou, Shishang Guo
Cancer immunotherapy has achieved great success in hematological cancers. However, immune cells are highly heterogeneous population and can vary highly on clonal expansion, migration and function status, making it difficult...
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Ferguson analysis of protein electromigration during single-cell electrophoresis in an open microfluidic device

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Analyst, 2020, Advance Article
DOI: 10.1039/C9AN02553G, Paper
Kristine Y. Tan, Amy E. Herr
Ferguson analysis of protein electromigration from single-cell lysate in an open microfluidic device to inform optimal assay design.
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A portable electrochemiluminescence bipolar electrode array for the visualized sensing of Cas9 activity

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Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00678E, Paper
Rui Guo, Shanwen Hu, Zonghua Wang
A new type of closed BPE-ECL system based on an Au electric circuit at a portable substrate is designed for the visualized sensing of Cas9 Activity in the CRISPR/Cas9 system.
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Analytical science in neurochemistry

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Analyst, 2020, Advance Article
DOI: 10.1039/D0AN90043E, Editorial
Jean-Francois Masson, Parastoo Hashemi, Martyn G. Boutelle
Jean-François Masson, Parastoo Hashemi and Martyn Boutelle introduce the Analyst themed collection on Analytical Science in Neurochemistry.
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Portable surface-enhanced Raman scattering analysis performed with microelectrode-templated silver nanodendrites

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Analyst, 2020, Accepted Manuscript
DOI: 10.1039/D0AN00484G, Paper
Joshua Raveendran, Aristides Docoslis
Using a handheld Raman spectrometer, we demonstrate how silver nanodendritic substrates formed on microelectrode platforms can be used for ultrasensitive detection of target analytes, such as cocaine and melamine. The...
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