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Optimization of synephrine and its vibrational and electronic structures

https://doi.org/10.1016/j.vibspec.2019.102989
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/0470027320.s0109openalex-snapshot
R aman Spectroscopy: Theory
inferredcites →https://doi.org/10.1002/1097-4555(200010)31:10<925::aid-jrs623>3.0.co;2-1openalex-snapshot
Vibrational spectra and assignments of histamine dication in the solid state and in solution
inferredcites →https://doi.org/10.1016/0022-2860(90)80287-topenalex-snapshot
Molvib - A flexible program for force field calculations
inferredcites →https://doi.org/10.1016/c2015-0-05660-xopenalex-snapshot
Comprehensive Utilization of Citrus By-Products
inferredcites →https://doi.org/10.1016/j.molstruc.2017.06.140openalex-snapshot
Structural modeling and spectroscopic investigation of isolated and hydrochloride tyramine neurotransmitter
inferredcites →https://doi.org/10.1016/j.molstruc.2018.01.066openalex-snapshot
Interpretation of IR and Raman spectra of dopamine neurotransmitter and effect of hydrogen bond in HCl
inferredcites →https://doi.org/10.1016/j.molstruc.2018.08.077openalex-snapshot
Molecular modeling and spectroscopic investigation of a neurotransmitter: Epinephrine
inferredcites →https://doi.org/10.1016/j.saa.2012.01.038openalex-snapshot
Molecular structure, vibrational spectra, HOMO, LUMO and NMR studies of 2-chloro-4-nitrotoluene and 4-chloro-2-nitrotoluene
inferredcites →https://doi.org/10.1016/j.saa.2012.12.088openalex-snapshot
Theoretical DFT study on spectroscopic signature and molecular dynamics of neurotransmitter and effect of hydrogen removal
inferredcites →https://doi.org/10.1016/j.saa.2016.04.041openalex-snapshot
Conformational study of neutral histamine monomer and their vibrational spectra
inferredcites →https://doi.org/10.1016/j.saa.2018.05.040openalex-snapshot
Structural confirmation and spectroscopic study of a biomolecule: Norepinephrine
inferredcites →https://doi.org/10.1016/j.saa.2018.08.014openalex-snapshot
Conformational study of octopamine in gas phase and effect of hydrochloride
inferredcites →https://doi.org/10.1016/j.tca.2016.03.010openalex-snapshot
Crystal structure determination and thermal behavior upon melting of p -synephrine
inferredcites →https://doi.org/10.1016/s0584-8539(09)91012-1openalex-snapshot
Vibrational spectra of monothiocarbamates-II. IR and Raman spectra, vibrational assignment, conformational analysis and ab initio calculations of S-methyl-N,N-dimethylthiocarbamate
inferredcites →https://doi.org/10.1016/s0924-2031(01)00189-8openalex-snapshot
Scaling of ab initio force fields by MOLVIB
inferredcites →https://doi.org/10.1016/s1386-1425(98)00164-4openalex-snapshot
A Raman and UV-Vis study of catecholamines oxidized with Mn(III)
inferredcites →https://doi.org/10.1016/s1386-1425(99)00224-3openalex-snapshot
Fourier transform infrared spectra and normal mode analysis of 1-[(3-methyl phenyl) piperazin-1-yl]-3-[thio(4-acetamido-phenyl]propane: a potent 5-HT2 and D2 receptor ligand
inferredcites →https://doi.org/10.1021/ja00544a007openalex-snapshot
Natural hybrid orbitals
inferredcites →https://doi.org/10.1021/ja027103xopenalex-snapshot
Structural and Vibrational Study of the Tautomerism of Histamine Free-Base in Solution
inferredcites →https://doi.org/10.1021/ja028952nopenalex-snapshot
Theoretical Conformational Analysis for Neurotransmitters in the Gas Phase and in Aqueous Solution. Norepinephrine
inferredcites →https://doi.org/10.1021/jp036900uopenalex-snapshot
A Molecular Orbital Study of the Conformational Properties of Tyramine and Phenethylamine
inferredcites →https://doi.org/10.1021/jp066333lopenalex-snapshot
Conformational Study of Tyramine and Its Water Clusters by Laser Spectroscopy
inferredcites →https://doi.org/10.1021/jp205267copenalex-snapshot
Gas-Phase Spectroscopy of Synephrine by Laser Desorption Supersonic Jet Technique
inferredcites →https://doi.org/10.1021/jp806232xopenalex-snapshot
Vibrational Signature of the Conformers in Tyramine Studied by IR Dip and Dispersed Fluorescence Spectroscopies
inferredcites →https://doi.org/10.1039/b314148aopenalex-snapshot
First local minimum of the formic acid dimer exhibits simultaneously red-shifted O–H⋯O and improper blue-shifted C–H⋯O hydrogen bonds
inferredcites →https://doi.org/10.1039/b404153dopenalex-snapshot
Intramolecular hydrogen bonds and conformational properties of biogenic amines: A free-jet microwave study of tyramine
inferredcites →https://doi.org/10.1039/c0cp02133dopenalex-snapshot
Infrared spectra of protonated neurotransmitters: dopamine
inferredcites →https://doi.org/10.1063/1.1700523openalex-snapshot
A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons
inferredcites →https://doi.org/10.1063/1.445134openalex-snapshot
Natural bond orbital analysis of near-Hartree–Fock water dimer
inferredcites →https://doi.org/10.1063/1.449360openalex-snapshot
Natural localized molecular orbitals
inferredcites →https://doi.org/10.1063/1.449486openalex-snapshot
Natural population analysis
inferredcites →https://doi.org/10.1080/00268970500086039openalex-snapshot
A computational and spectroscopic study of the gas-phase conformers of adrenaline
inferredcites →https://doi.org/10.1093/chromsci/47.10.925openalex-snapshot
Analysis of Synephrine in Da-cheng-qi Decoction by HPLC Employing Precolumn Derivatization With 9-Fluorenylmethyl Chloroformate
inferredcites →https://doi.org/10.1107/s2053229618014419openalex-snapshot
Crystal structures of racemic and enantiopure synephrine correlated with physicochemical properties from IR spectroscopy and thermal analysis
inferredcites →https://doi.org/10.1111/bcp.12952openalex-snapshot
Acute p‐synephrine ingestion increases fat oxidation rate during exercise
inferredcites →https://doi.org/10.1248/bpb.b13-00788openalex-snapshot
p-Synephrine: A Novel Agonist for Neuromedin U2 Receptor
inferredcites →https://doi.org/10.7150/ijms.8.295openalex-snapshot
Effects of p-Synephrine alone and in Combination with Selected Bioflavonoids on Resting Metabolism, Blood Pressure, Heart Rate and Self-Reported Mood Changes

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4581657openalex-extracted
Quantitative, Energy Calculation and Theoretical Studies for Noncovalent Interactions Analysis of 2-Phenyl Imidazole Derivative: Perspective for Cox-2 Selective Anti-Inflammatory Activity
inferred← citeshttps://doi.org/10.1002/chir.70148openalex-snapshot
Mechanistic Insights Into Synephrine Isomerization Under Acidic and Neutral Conditions: A Combined Kinetic, Thermodynamic, and Quantum Chemical Approach
inferred← citeshttps://doi.org/10.1002/masy.202300166openalex-snapshot
Molecular Modeling and Spectroscopic Investigation of Tyramine and Its Monohydrate Cluster: A DFT Approach
inferred← citeshttps://doi.org/10.1002/slct.202203862openalex-snapshot
An Experimental and Theoretical Study of the Conformational Stability of Triazinone Fleximers: Quantitative Analysis for Intermolecular Interactions
inferred← citeshttps://doi.org/10.1007/s12668-025-02264-zopenalex-snapshot
Exploring the Interaction of Monoamine Neurotransmitters with Fullerene-like Gold Nanocage (Au32): DFT and Molecular Docking Studies
inferred← citeshttps://doi.org/10.1016/j.comptc.2023.114190openalex-snapshot
In silico investigation on molecular modeling of tyramine and its deprotonated form
inferred← citeshttps://doi.org/10.1016/j.comptc.2023.114306openalex-snapshot
Structural and vibrational spectroscopic signature of a bio-relevant molecule: (E)-3-(2-(4-methoxyphenyl)hydrazineylidene)chromane-2, 4-dione
inferred← citeshttps://doi.org/10.1016/j.comptc.2024.114473openalex-snapshot
Theoretical insights on the interaction between p-synephrine and Metformin: A DFT, QTAIM and Drug-Likeness investigation
inferred← citeshttps://doi.org/10.1016/j.diamond.2026.113937openalex-snapshot
Unveiling the mechanistic insights of molecular interactions of biorelevant drug with C24 and B12N12 nanocages
inferred← citeshttps://doi.org/10.1016/j.ijbiomac.2023.125042openalex-snapshot
Load mechanism and release behaviour of synephrine-loaded calcium pectinate beads: Experiments characterizations, theoretical calculations and mathematical modeling
inferred← citeshttps://doi.org/10.1016/j.jics.2024.101531openalex-snapshot
The impact of bromine substitution on molecular structure and spectroscopic properties of (E)-3-(2-phenylhydrazineylidene) chromane-2, 4-dione
inferred← citeshttps://doi.org/10.1016/j.molstruc.2023.135347openalex-snapshot
Molecular modeling, vibrational dynamics and NBO analysis of a synthetic bio‐relevant warfarin analog
inferred← citeshttps://doi.org/10.1016/j.molstruc.2024.138092openalex-snapshot
Experimental and theoretical studies for I⋯F, I⋯I and I⋯N intermolecular interactions Analysis in 5, 7-diiodoquinoline derivatives and their In-vitro DPP-4 inhibitory activity
inferred← citeshttps://doi.org/10.1016/j.reactfunctpolym.2023.105647openalex-snapshot
A molecular imprinting polymer based on computer-aided design: Selective enrichment and purification of synephrine from the extract waste liquid of Citrus aurantium L
inferred← citeshttps://doi.org/10.1021/acsomega.3c06382openalex-snapshot
Understanding the Interaction Mechanism between the Epinephrine Neurotransmitter and Small Gold Nanoclusters (Aun; n = 6, 8, and 10): A Computational Insight
inferred← citeshttps://doi.org/10.1038/s41598-023-49414-5openalex-snapshot
In silico investigation on sensing of tyramine by boron and silicon doped C60 fullerenes
inferred← citeshttps://doi.org/10.1080/01411594.2022.2085101openalex-snapshot
Theoretical spectroscopic signature of synephrine using DFT and the effect of hydrogen removal
inferred← citeshttps://doi.org/10.1080/10406638.2022.2135546openalex-snapshot
Conformational Search and Spectroscopic Analysis of Biorelevant Molecule: 5-Chloro-2-hydroxy- N -isobutyl-3-oxo-2,3-dihydrobenzofuran-2-carboxamide
inferred← citeshttps://doi.org/10.1080/10406638.2024.2403543openalex-snapshot
Experimental and Theoretical Studies for Noncovalent Interactions Analysis of 2-Phenyl Imidazole Derivative: Perspective for Anti-Inflammatory Activity
inferred← citeshttps://doi.org/10.1134/s1070363224611773openalex-snapshot
Experimental and Theoretical Studies for Noncovalent Interactions Analysis of 2-Mercaptopyrimidine Derivative and Their Antimicrobial Activities
inferred← citeshttps://doi.org/10.1149/2162-8777/ace84copenalex-snapshot
Exploring the Photoluminescence Property, Photocatalytic Efficiency, and Antibacterial Activity of Eu-Doped ZnO/SnO2 Heterostructure
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