Molecular probes, chemosensors, and nanosensors for optical detection of biorelevant molecules and ions in aqueous media and biofluids

J Krämer, R Kang, LM Grimm, L De Cola… - Chemical …, 2022 - ACS Publications
Synthetic molecular probes, chemosensors, and nanosensors used in combination with
innovative assay protocols hold great potential for the development of robust, low-cost, and …

Metabolomics: A way forward for crop improvement

A Razzaq, B Sadia, A Raza, M Khalid Hameed… - Metabolites, 2019 - mdpi.com
Metabolomics is an emerging branch of “omics” and it involves identification and
quantification of metabolites and chemical footprints of cellular regulatory processes in …

Chemical shifts in molecular solids by machine learning

FM Paruzzo, A Hofstetter, F Musil, S De… - Nature …, 2018 - nature.com
Due to their strong dependence on local atonic environments, NMR chemical shifts are
among the most powerful tools for strucutre elucidation of powdered solids or amorphous …

High resolution NMR spectroscopy as a structural and analytical tool for unsaturated lipids in solution

E Alexandri, R Ahmed, H Siddiqui, MI Choudhary… - Molecules, 2017 - mdpi.com
Mono-and polyunsaturated lipids are widely distributed in Nature, and are structurally and
functionally a diverse class of molecules with a variety of physicochemical, biological …

Dereplication: racing to speed up the natural products discovery process

SP Gaudêncio, F Pereira - Natural product reports, 2015 - pubs.rsc.org
Covering: 1993–2014 (July) To alleviate the dereplication holdup, which is a major
bottleneck in natural products discovery, scientists have been conducting their research …

Real-time prediction of 1 H and 13 C chemical shifts with DFT accuracy using a 3D graph neural network

Y Guan, SVS Sowndarya, LC Gallegos, PCS John… - Chemical …, 2021 - pubs.rsc.org
Nuclear magnetic resonance (NMR) is one of the primary techniques used to elucidate the
chemical structure, bonding, stereochemistry, and conformation of organic compounds. The …

Prediction of chemical shift in NMR: A review

E Jonas, S Kuhn, N Schlörer - Magnetic Resonance in …, 2022 - Wiley Online Library
Calculation of solution‐state NMR parameters, including chemical shift values and scalar
coupling constants, is often a crucial step for unambiguous structure assignment. Data …

Presence of IL-5 protein and IgE antibodies to staphylococcal enterotoxins in nasal polyps is associated with comorbid asthma

C Bachert, N Zhang, G Holtappels, L De Lobel… - Journal of allergy and …, 2010 - Elsevier
BACKGROUND: Nasal polyps often are associated with asthma. The phenotype of these
patients is unknown. OBJECTIVE: To identify the mucosal factors associated with asthma …

Bioinformatics tools for mass spectroscopy-based metabolomic data processing and analysis

M Sugimoto, M Kawakami, M Robert… - Current …, 2012 - ingentaconnect.com
Biological systems are increasingly being studied in a holistic manner, using omics
approaches, to provide quantitative and qualitative descriptions of the diverse collection of …

Global arbuscular mycorrhizal fungal diversity and abundance decreases with soil available phosphorus

X Ma, X Xu, Q Geng, Y Luo, C Ju, Q Li… - Global Ecology and …, 2023 - Wiley Online Library
Aim Arbuscular mycorrhizal fungi (AMF) are widely distributed soil organisms that play
critical roles in ecosystem functions. However, little is known about their global distribution …