Results 21 to 30 of about 4,446,617 (245)

Photosynthesis-based biosensors for environmental analysis of herbicides

Case Studies in Chemical and Environmental Engineering, 2021
It is generally agreed that photosynthetic organisms demonstrated their potential for the development of highly sensitive, sustainable, and affordable biosensors to detect toxic chemicals in aquatic ecosystems, being a primary target for most toxic ...
Amina Antonacci, Daniele Zappi, Maria Teresa Giardi, Viviana Scognamiglio   +3 more
doaj   +1 more source

Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions

Journal of Cheminformatics, 2023
Published reports of chemical compounds often contain multiple machine-readable descriptions which may supplement each other in order to yield coherent and complete chemical representations.
Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, Aleksandras Konovalovas, Miguel Quirós, Saulius Gražulis   +5 more
doaj   +1 more source

Last Trends in Point-of-Care (POC) Diagnostics for the Management of Hematological Indices in Home Care Patients

Biosensors, 2023
Today, complete blood count (CBC) analyses are highly automated and allow for high throughput and accurate and reliable results. However, new analytical tools are in great demand to provide simple, rapid and cost-effective management of hematological ...
Fabrizio Clemente, Amina Antonacci, Maria Teresa Giardi, Valeria Frisulli, Francesco Paolo Tambaro, Viviana Scognamiglio   +5 more
doaj   +1 more source

Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging

IUCrJ, 2019
The fact that a protein crystal can serve as a chemical reaction vessel is intrinsically fascinating. That it can produce an electron-dense tetranuclear rhenium cluster compound from a rhenium tricarbonyl tribromo starting compound adds to the ...
Alice Brink, John R. Helliwell
doaj   +1 more source

Analyzing Discrepancies in Chemical-Shift Predictions of Solid Pyridinium Fumarates

Molecules, 2021
Highly accurate chemical-shift predictions in molecular solids are behind the success and rapid development of NMR crystallography. However, unusually large errors of predicted hydrogen and carbon chemical shifts are sometimes reported.
Martin Dračínský
doaj   +1 more source

A Multi-Resolution 3D-DenseNet for Chemical Shift Prediction in NMR Crystallography [PDF]

Journal of Physical Chemistry Letters, 2019
We have developed a deep learning algorithm for chemical shift prediction for atoms in molecular crystals that utilizes an atom-centered Gaussian density model for the 3D data representation of a molecule.
Shuai Liu, Jie Li, Kochise C. Bennett, Brad Ganoe, T. Stauch, M. Head‐Gordon, A. Hexemer, D. Ushizima, T. Head‐Gordon   +8 more
semanticscholar   +1 more source

Howard Flack and the Flack Parameter

Chemistry, 2020
The Flack Parameter is now almost universally reported for all chiral materials characterized by X-ray crystallography. Its elegant simplicity was an inspired development by Howard Flack, and although the original algorithm for its computation has been ...
David John Watkin, Richard Ian Cooper
doaj   +1 more source

A dual electro-optical biosensor based on Chlamydomonas reinhardtii immobilised on paper-based nanomodified screen-printed electrodes for herbicide monitoring

Journal of Nanobiotechnology, 2021
The indiscriminate use of herbicides in agriculture contributes to soil and water pollution, with important endangering consequences on the ecosystems. Among the available analytical systems, algal biosensors have demonstrated to be valid tools thanks to
Amina Antonacci, Raouia Attaallah, Fabiana Arduini, Aziz Amine, Maria Teresa Giardi, Viviana Scognamiglio   +5 more
doaj   +1 more source

Predicting Accurate Lead Structures for Screening Molecular Libraries: A Quantum Crystallographic Approach

Molecules, 2021
Optimization of lead structures is crucial for drug discovery. However, the accuracy of such a prediction using the traditional molecular docking approach remains a major concern.
Suman Kumar Mandal, Parthapratim Munshi
doaj   +1 more source

Permeability of the Composite Magnetic Microcapsules Triggered by a Non-Heating Low-Frequency Magnetic Field

Pharmaceutics, 2021
Nanosystems for targeted delivery and remote-controlled release of therapeutic agents has become a top priority in pharmaceutical science and drug development in recent decades. Application of a low frequency magnetic field (LFMF) as an external stimulus
Ivan A. Burmistrov, Maxim M. Veselov, Alexander V. Mikheev, Tatiana N. Borodina, Tatiana V. Bukreeva, Michael A. Chuev, Sergey S. Starchikov, Igor S. Lyubutin, Vladimir V. Artemov, Dmitry N. Khmelenin, Natalia L. Klyachko, Daria B. Trushina   +11 more
doaj   +1 more source