A number of J-upscaled NMR experiments are currently available to measure coupling constants along the indirect F1 dimension of a 2D spectrum. A major drawback is the limited F1 digital resolution that requires long acquisition times in order to achieve reasonably accurate measures. Here is shown how high levels of F1 digital resolution in a multiple-purpose HSQC experiment can be easily achieved by implementing a general J/δ-scaling strategy. In particular, a set of new J-resolved HSQC experiments is presented for a faster and much more accurate J determination in small molecules. Several options and practical aspects are discussed and exemplified by measuring the magnitude and/or the sign of several homo- and heteronuclear coupling constants in one shot.
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http://dx.doi.org/10.1016/j.jmr.2017.07.004 | DOI Listing |
J Mol Model
January 2025
Applied Nuclear Technology in Geosciences Key Laboratory of Sichuan Province, Chengdu University of Technology, Chengdu, People's Republic of China.
Context: The study of the influence of solvent on 1-bromo adamantane (BAD) exposes prominent solvatochromatic shifts in the optical absorbance and substantial solvent effects on the electronic structure. This facilitates the molecular probe abilities for the BAD with respect to the surrounding environments such as dielectric constant and polarity. BAD exhibits positive solvatochromism for nonpolar solvents and negative solvatochromatic shifts for polar and aromatic solvents.
View Article and Find Full Text PDFOrg Biomol Chem
January 2025
Key Laboratory of Green Chemical Process of Ministry of Education, Hubei Key Laboratory of Novel Chemical Reactor and Green Chemical Technology, School of Chemical Engineering & Pharmacy, Wuhan Institute of Technology, Wuhan 430073, P.R. China.
Electrochemical oxidative cross-dehydrogenative-coupling (CDC) is an ideal strategy to conduct the C3-alkoxylation of imidazo[1,2-]pyridine, but it remains a challenge owing to limitation imposed by the use of alkyl alcohols and carboxylic acids. Herein, we report a mild and efficient 2-electrode constant-potential electrolysis of imidazo[1,2-]pyridine with hexafluoroisopropanol (HFIP) to produce various imidazo[1,2-]pyridine HFIP ethers. Mechanistic studies indicated that the electrooxidation reaction might involve radical coupling and ionic reaction.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Ural Federal University, Ekaterinburg, Russia.
This work is devoted to the study of the static magnetization of immobilized multi-core particles (MCPs) and their ensembles. These objects model aggregates of superparamagnetic nanoparticles that are taken up by biological cells and subsequently used, for example, as magnetoactive agents for cell imaging. In this study, we derive an analytical formula that allows us to predict the static magnetization of MCPs consisting of immobilized granules, in which the magnetic moment rotates freely the Néel mechanism.
View Article and Find Full Text PDFAnal Methods
January 2025
Institute of Medical Engineering, Department of Biophysics, School of Basic Medical Sciences, Health Science Center, Xi'an Jiaotong University, Xi'an, Shaanxi, 710061, China.
Adenosine triphosphate (ATP) is crucial for cellular activity. The need for ATP detection in the field of biomedicine is rapidly increasing. Several biosensor-based approaches have been developed as a result of the growing demand for ATP detection.
View Article and Find Full Text PDFChem Biodivers
January 2025
Yantai Institute of Coastal Zone Research, Coastal biology and Bioresource Utilization, 17 Chunhui Road, 264003, Yantai, CHINA.
The fungal genus Fusarium is a treasure-trove of structurally diverse secondary metabolites, contributed greatly by marine-derived strains. A new cedrane sesquiterpene, fusacedrol (1), and a new fusarin member, fusarin M (2), were isolated from F. graminearum 12Ⅱ2N that was isolated as an endophyte from the marine brown alga Sargassum sp.
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