Elucidating the Three‐Dimensional Structure of Piracetam through Rotational Spectroscopy
Neutral molecules of the nootropic drug piracetam are generated by laser ablation and structurally characterized by microwave spectroscopy. Two conformers differing in the exo/endo configuration of the pyrrolidine ring are detected, with exo being the predominant form.
S. Mato+4 more
wiley +1 more source
Novel 3D UAV Path Planning for IoT Services Based on Interactive Cylindrical Vector Teaching-Learning Optimization Algorithm. [PDF]
Jiang X+5 more
europepmc +1 more source
The enamine formation catalyzed by a flexible asymmetric tripeptide is studied computationally. The catalyst's ability to reorganize plays a crucial role, enabling the reaction and providing multiple pathways for its occurrence. Furthermore, issues related to conformational search, method selection, and model system choices are discussed.
Irina Osadchuk, Tõnis Kanger
wiley +1 more source
Automated Microsolvation for Minimum Energy Path Construction in Solution. [PDF]
Türtscher PL, Reiher M.
europepmc +1 more source
Quantifying Molecular Properties of Hexagonal Water Clusters
Standard quantum chemical calculations on large hexagonal water clusters allow us to analyze the fundamental properties of ice‐Ih. Computed geometrical structure, energies, and vibrational spectra are astonishingly close to experimental data without the introduction of any external empirical parameters.
Giuseppe Lanza
wiley +1 more source
A Testing and Evaluation Framework for Indoor Navigation and Positioning Systems. [PDF]
Zhang Z, Wang Q, Wang W, Feng M, Guo L.
europepmc +1 more source
Bioinformatics‐Based Comparative Analysis of the Human Retina Proteome
ABSTRACT Introduction The human retina relies on a complex network of proteins, many of which exhibit intrinsic disorder and liquid‐liquid phase separation (LLPS), enabling dynamic interactions for retinal function. Disruptions in these properties, along with missense mutations, have been linked to retinal diseases.
Colin K. Kim+8 more
wiley +1 more source
Expansion of stereotactic work envelope using transformation matrices and geometric algebra for neurosurgery. [PDF]
Sharaf B+15 more
europepmc +1 more source
Anticlastic Curvature and Material Freedom
Anticlastic curvature occurs in bent bars for positive Poisson's ratio; synclastic curvature occurs for negative Poisson's ratio provided the material is homogeneous and elastic. Some planar negative Poisson's ratio materials exhibit anticlastic saddle curvature rather than convex curvature in bending due to effects of 3D structure.
Roderic Lakes
wiley +1 more source
Evaluating proximal ulnar morphology in relation to the humeral flexion-extension axis. [PDF]
Minnaert C+4 more
europepmc +1 more source