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The interaction of two-dimensional α- and β-phosphorus carbide with environmental molecules: a DFT study

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01607A, Paper
Open Access
Andrey Kistanov, Elena Korznikova, Marko Huttula, Wei Cao
The recently fabricated two-dimensional phosphorus carbide (PC) has been proposed for application in different nanodevices such as nanoantennas and field-effect transistors. However, the effect of ambient molecules on the properties...
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Influence of alkaline-earth metal substitution on structure, electrical conductivity and oxygen transport properties of perovskite-type oxides La0.6A0.4FeO3-δ (A = Ca, Sr and Ba)

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP00247J, Paper
Open Access
Jia Song, De Ning, Henny J M Bouwmeester
Structural evolution, electrical conductivity, oxygen nonstoichiometry and oxygen transport properties of perovskite-type oxides La0.6A0.4FeO3-δ (A = Ca, Sr, and Ba) were investigated. La0.6Ca0.4FeO3-δ (LCF64) and La0.6Sr0.4FeO3-δ (LSF64) show a phase...
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Long-range potentials and dipole moments of the CO electronic states converging to the ground dissociation limit

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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Molecular environment and reactivity in gels and colloidal solutions under identical conditions

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01956A, Paper
Open Access
Philip Groves, Jin Huang, Andreas Heise, Jennifer Marsh, Victor Chechik
A PEG-Tyr block copolymer forms a kinetically stable colloidal solution in water at room temperature which undergoes an irreversible conversion to a gel phase upon heating. A micellar solution and...
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Surface diffusion manifestation in electrodeposition of metal anodes

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01352H, Paper
Bairav S. Vishnugopi, Feng Hao, Ankit Verma, Partha P. Mukherjee
Transformation of the electrodeposition morphology, facilitated by the surface self-diffusion across a step
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Dynamical Signatures from Competing, Nonadiabatic Fragmentation Pathways of S-Nitrosothiophenol

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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The importance of the composite mechanisms with two transition states in the F- + NH2I SN2 reaction

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01942A, Communication
Yan Li, Yongfang Li, Dunyou Wang
The dynamics of the bimolecular nucleophilic substitution (SN2) reactions at nitrogen are less understood than their corresponding reactions at carbon. In this paper, we report an ab initio molecular dynamics...
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Analysis of the electronic delocalization in some B12's isoelectronic analogues doped with beryllium and/or carbon

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01844A, Paper
Rafael Islas, Diego Inostroza, David Arias-Olivares, Bernardo Antonio Zúñiga Gutiérrez, Jordi Poater, Miquel Solà
In the current work, a new family of isoelectronic analogues to B12 is reported. The construction of this family was performed through the isoelectronic substitution principle to generate species such...
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Highly-Excited State Properties of Cumulenone Chlorides in the Vacuum-Ultraviolet

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01835J, Paper
Quynh L. Nguyen, William K Peters, Ryan C. Fortenberry
Recent observations of chloromethane in interstellar environments suggest that other organohalogens, which are known to be critically important in Earth's atmosphere, may also be of significance beyond our own terrestrial...
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[ASAP] C-Aryl Glycosylation: Palladium-Catalyzed Aryl–Allyl Coupling of Achmatowicz Rearrangement Products with Arylboronic Acids

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00688




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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

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




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[ASAP] Bifunctional Phosphine Ligand-Enabled Gold(I)-Catalyzed O-Nucleophilic Addition of <italic toggle="yes">N</italic>-Hydroxybenzo[1,2,3]-triazin-4(3<italic toggle="yes">H</italic>)-ones to Alkynes Followed

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00471




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

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

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




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[ASAP] Isolation of Elusive Electrophilic Phosphinidene Complexes with p-Donor N-Heterocyclic Vinyl Substituents

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00176




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[ASAP] <italic toggle="yes">De Novo</italic> Synthesis of the DEF-Ring Stereotriad Core of the <italic toggle="yes">Veratrum</italic> Alkaloids

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00685




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[ASAP] Cyanide-Free Enantioselective Catalytic Strategies for the Synthesis of Chiral Nitriles

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.9b02773




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

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

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




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[ASAP] Sc(OTf)<sub>3</sub>-Mediated One-Pot Synthesis of 2,3-Disubstituted Quinolines from Anilines and Epoxides

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00803




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

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

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

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




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[ASAP] Oxidative Cyclization of <italic toggle="yes">o</italic>-(1-Hydroxy-2-alkynyl)-<italic toggle="yes">N</italic>-tosylanilides for the Synthesis of 4-Quinolones

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00245




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[ASAP] Asymmetric Synthesis of a Bacteriochlorophyll Model Compound Containing <italic toggle="yes">trans</italic>-Dialkyl Substituents in Ring D

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00608




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

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

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




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[ASAP] Further Insight into the Castagnoli–Cushman-type Synthesis of 1,4,6-Trisubstituted 1,6-Dihydropyridin-2-(3<italic toggle="yes">H</italic>)-ones from 3-Arylglutaconic Acid Anhydrides

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00836




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

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




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[ASAP] Correction to Specific <italic toggle="yes">Z</italic>-Selectivity in the Oxidative Isomerization of Allyl Ethers to Generate Geometrically Defined <italic toggle="yes">Z</italic>-Enol Ethers Using a Coba

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00990




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

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

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




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[ASAP] (2-Fluoroallyl)boration of Ketones with (2-Fluoroallyl)boronates

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.9b03445




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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

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




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[ASAP] Chemoselective Hydrosilylation of the a,ß-Site Double Bond in a,ß- and a,ß,?,d-Unsaturated Ketones Catalyzed by Macrosteric Borane Promoted by Hexafluoro-2-propanol

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00568




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[ASAP] Acylphloroglucinol Derivatives with a Tricyclo-[4.4.1.1<sup>1,4</sup>] Dodecane Skeleton from <italic toggle="yes">Garcinia bracteata</italic> Fruits

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00637




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[ASAP] Synthesis of <italic toggle="yes">ent</italic>-Cleistanthane Diterpenoid Spruceanol: Construction of an Aromatic C Ring <italic toggle="yes">via</italic> Lewis Acid-Controlled Regioselective Diels–Alder C

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00713




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

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




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[ASAP] Synthesis of Indolizine Derivatives Triggered by the Oxidative Addition of Aroyl Chloride to Pd(0) Complex

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00161




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[ASAP] Accessing Dihydro-1,2-oxazine via Cloke–Wilson-Type Annulation of Cyclopropyl Carbonyls: Application toward the Diastereoselective Synthesis of Pyrrolo[1,2-<italic toggle="yes">b</italic>][1,2]oxazine

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00531




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[ASAP] Application of Pyridinium 1,4-Zwitterionic Thiolates: Synthesis of Benzopyridothiazepines and Benzothiophenes

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00374




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[ASAP] Palladium-Catalyzed Cascade Cyclization/Dearomatization/Arylation of Alkyne-Containing Phenol-Based Biaryls with Aryl Halides: An Entry to Diversely Functionalized Spirocyclohexadienones

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00710




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

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

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




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[ASAP] Earth-Abundant Bimetallic Nanoparticle Catalysts for Aerobic Ammoxidation of Alcohols to Nitriles

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00670




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Highly sensitive endotoxin detection using a gold nanoparticle loaded layered molybdenum disulfide-polyacrylic acid nanocomposite

Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00567C, Paper
Biyas Posha, N. Sandhyarani
A highly sensitive and selective endotoxin sensor is developed with a Au nanoparticle anchored MoS2-PAA nanocomposite.
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Electrochemical biosensing platforms on the basis of reduced graphene oxide and its composites with Au nanodots

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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Real-time quantification of fusion transcripts with ligase chain reaction by direct ligation of adjacent DNA probes at fusion junction

Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00163E, Paper
Fengxia Su, Jianing Ji, Pengbo Zhang, Fangfang Wang, Zhengping Li
A fusion transcript assay is developed based on direct ligation and ligase chain reaction.
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An enzyme inhibition-based lab-in-a-syringe device for point-of-need determination of pesticides

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

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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