Methods based on convolutional neural networks have improved the performance of biomedical image segmentation. However, most of these methods cannot efficiently segment objects of variable sizes and train on small and biased datasets, which are common for biomedical use cases. While methods exist that incorporate multi-scale fusion approaches to address the challenges arising with variable ...

Atmospheric pollution has many profound effects on human health, ecosystems, and the climate. Of concern are high concentrations and deposition of reactive nitrogen (N_r) species, especially of reduced N (gaseous NH₃, particulate NH₄ ⁺). Atmospheric chemistry and transport models (ACTMs) are crucial to understanding sources and impacts of N_r ...

Localization of molecular orbitals finds its importance in the representation of chemical bonding (and antibonding) and in the local correlation treatments beyond mean-field approximation. In this paper, we generalize the intrinsic atomic and bonding orbitals [G. Knizia, J. Chem. Theory Comput. 2013, 9, 11, 4834–4843] to relativistic applications using complex and quaternion spinors, as well as to ...

In this paper, we report reimplementation of the core algorithms of relativistic coupled cluster theory aimed at modern heterogeneous high-performance computational infrastructures. The code is designed for parallel execution on many compute nodes with optional GPU coprocessing, accomplished via the new ExaTENSOR back end. The resulting ExaCorr module is primarily intended for calculations of molecules ...

By combining an ocean model, a nutrient-phytoplankton-zooplankton-detritus-model and an individual-based model for early life stages of Northeast Arctic cod we systematically investigate food limitations and growth performance for individual cod larvae drifting along the Norwegian coast from spawning grounds toward nursery areas in the Barents Sea. We hypothesize that there is food shortage for ...

Intragranular boundaries are important features of polycrystalline materials and impact on many physical and chemical properties. Knowledge of their physical orientation is often crucial to explain such properties. However, it has proved difficult to determine the complete orientation of intragranular boundaries, which involves the misorientation angle and axis about which the adjacent crystal ...

A detailed TDDFT study (with all-electron STO-TZ2P basis sets and the COSMO solvation model) has been carried out on the effect of diprotonation on the UV−vis−NIR spectra of free-base tetraphenylporphyrin and tetrakis(p-aminophenyl)porphyrin. The diprotonated forms have been modeled as their bis-formate complexes, i.e., as so-called porphyrin diacids. The dramatic redshift of the Q-band of ...

Removal of vanadium from liquid waste streams protects the environment from toxic vanadium species and promotes the recovery of the valuable metal. In this study, real mining ditch water was sampled from a closed vanadium mine (V–Fe–Ti oxide deposit, Finland) and used in sorption experiments at prevailing vanadium concentration (4.66–6.85 mg/L) and pH conditions (7.02–7.83). The high concentration ...

Intervention research is often highly controlled and does not reflect real-world situations. More pragmatic approaches, albeit less controllable and more challenging, offer the opportunity of identifying unexpected factors and connections. As the introduction of mHealth into formal diabetes care settings is relatively new and less often explored from the perspectives of patients and providers together, ...

Vilsmeier–Haack formylation of ReO and Au meso-triarylcorroles over 16–18 hours affords moderate to good yields (47–65%) of the ReO-3-formyl and Au-3,17-diformyl derivatives in a highly regioselective manner. Formylation was found to effect substantial upshifts for redox potentials (especially the reduction potentials) as well as significant to dramatic redshifts for both the Soret and Q bands.