Results 51 to 60 of about 2,334 (179)

Efficient Machine Learning Prediction of Solvent‐Dependent 1H$$ {}^1\mathrm{H} $$ NMR Chemical Shifts in Zinc Complexes

Journal of Computational Chemistry, Volume 47, Issue 10, 15 April 2026.
Machine learning approach (ML) for rapid and accurate prediction of 1H‐NMR shifts in zinc complexes validated against experimental NMR data across multiple solvent environments. ABSTRACT Accurate prediction of NMR chemical shifts in transition metal complexes remains challenging due to the wide range of coordination environments and complex electronic ...
Jyothika R. Pillay, Michael Ringleb, Alexander Croy, Stefan Zechel, Ulrich S. Schubert, Stefanie Gräfe   +5 more
wiley   +1 more source

Capture Mechanism of Cadmium in Agricultural Soil Via Iron-Modified Graphene

Inorganics, 2022
Cadmium (Cd) contamination in agricultural soils has caused extensive concern to researchers. Biochar with iron-compound modifications could give rise to the synergistic effect for Cd restriction.
Hongrui Wang, Junping Hu, Wentao Zhou, Pan Long, Xin Ma, Feng Zhang, Yuping Wu, Xiongwei Wu, Jiayu Dai, Zhiqiang Fu   +9 more
doaj   +1 more source

Cd Stress Response in Emmer Wheat (Triticum dicoccum Schrank) Varieties Under In Vitro Conditions and Remedial Effect of CaO Nanoparticles

Biology
In this study, the mitigating effects of CaO NPs obtained from pomegranate extract via environmentally friendly green synthesis on CdCl2 stress in two varieties (Yolboyu and Kirac) of Turkish Kavilca wheat (Triticum dicoccum Schrank) under in vitro ...
Doğan İlhan, Büşra Yazıcılar
doaj   +1 more source

Modeling the Solvent Extraction of Cadmium(II) from Aqueous Chloride Solutions by 2-pyridyl Ketoximes: A Coordination Chemistry Approach

Molecules, 2019
The goal of this work is to model the nature of the chemical species [CdCl2(extractant)2] that are formed during the solvent (or liquid-liquid) extraction of the toxic cadmium(II) from chloride-containing aqueous media using hydrophobic 2-pyridyl ...
Eleni C. Mazarakioti, Amaia Soto Beobide, Varvara Angelidou, Constantinos G. Efthymiou, Aris Terzis, Vassilis Psycharis, George A. Voyiatzis, Spyros P. Perlepes   +7 more
doaj   +1 more source

A CDCL-Style Calculus for Solving Non-linear Constraints [PDF]

, 2019
17 pages, 3 figures; accepted at FroCoS 2019; software available ...
Franz Brauße, Konstantin Korovin, Margarita V. Korovina, Norbert Th. Müller   +3 more
openaire   +3 more sources

Ambiguities in Assigning Single‐Crystal NMR Data to Individual Atoms in the Crystal Structure: A Case Study of Hambergite, Be2BO3OH, by 9Be and 11B NMR Spectroscopy, XRD Measurements and DFT Calculations

Magnetic Resonance in Chemistry, Volume 64, Issue 4, Page 400-415, April 2026.
The fundamental question of how to assign NMR resonances to specific atoms in the unit cell is addressed by using the 9Be and 11B spectra of the natural mineral hambergite as a model system. ABSTRACT The NMR interaction tensors of 9Be and 11B of hambergite, Be 2BO 3OH, were derived from single‐crystal NMR experiments.
Jennifer Steinadler, Georg Krach, Kristian Witthaut, Tobias Stürzer, Rupert Hochleitner, Wolfgang Schnick, Thomas Bräuniger   +6 more
wiley   +1 more source

Sulforaphane Prevents Cadmium Chloride-Induced Reproductive Toxicity in Caenorhabditis elegans

Oxygen
Cadmium (Cd) is a highly toxic heavy metal that disrupts development and reproduction, primarily through oxidative stress. In this context, sulforaphane (SFN), an antioxidant compound, may serve as a promising agent to counteract Cd-induced oxidative ...
Estefani Yaquelin Hernández-Cruz, Elí Juárez-Peredo, Karla Alejandra Avendaño-Briseño, Jorge Escutia-Martínez, Karla Jaqueline Ramírez-Magaña, Tania Gómez-Sierra, José Pedraza-Chaverri   +6 more
doaj   +1 more source

Proteomic Analysis Reveals Accompanying Anion‐Dependent Changes of Cadmium Toxicity During Arabidopsis thaliana Development

Plant, Cell &Environment, Volume 49, Issue 4, Page 2069-2079, April 2026.
ABSTRACT Cadmium (Cd) is a significant environmental pollutant with widespread detrimental effects on living organisms, making it a frequent subject of laboratory studies. However, different types of Cd salts are used to spike media, often without considering the possibility that accompanying anions may influence the effects of metal cations. Using two
Martin Lyčka, Anna Vávra, David Potěšil, Ondřej Helia, Lukáš Fojt, Jiří Fajkus, Miloslava Fojtová   +6 more
wiley   +1 more source

Off the Trail: Re-examining the CDCL Algorithm [PDF]

, 2012
Most state of the art SAT solvers for industrial problems are based on the Conflict Driven Clause Learning (CDCL) paradigm. Although this paradigm evolved from the systematic DPLL search algorithm, modern techniques of far backtracking and restarts make CDCL solvers non-systematic.
Alexandra Goultiaeva, Fahiem Bacchus
openaire   +1 more source

Phosphoramidate and Silyl Amine Mediated Synthesis of Isocyanide Cyclopentadienone Iron Complexes

Helvetica Chimica Acta, Volume 109, Issue 3, March 2026.
Carbonyl ligands in cyclopentadienone iron complexes are replaced by isocyanide ligands without using free, malodorous isocyanides. The reaction takes place via an Aza‐Wittig‐type reaction starting from primary amines, employing either phosphoramidates or silyl amines as intermediate reagents.
André Bütikofer, Daniel Svoboda, Joël Landis, Peter Chen   +3 more
wiley   +1 more source