Inferring properties of the interaction matrix that characterizes how nodes in a networked system directly interact with each other is a well-known network reconstruction problem. Despite a decade of extensive studies, network reconstruction remains an outstanding challenge. The fundamental limitations governing which properties of the interaction matrix (e.g. adjacency pattern, sign pattern or degree sequence) can be inferred from given temporal data of individual nodes remain unknown. Here, we rigorously derive the necessary conditions to reconstruct any property of the interaction matrix. Counterintuitively, we find that reconstructing any property of the interaction matrix is generically as difficult as reconstructing the interaction matrix itself, requiring equally informative temporal data. Revealing these fundamental limitations sheds light on the design of better network reconstruction algorithms that offer practical improvements over existing methods.
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http://dx.doi.org/10.1098/rsif.2016.0966 | DOI Listing |
J Phys Chem A
January 2025
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China.
High-level multireference configuration interaction plus Davidson correction (MRCI + Q) calculation method was employed to determine the potential energy curves (PECs) of 10 Λ-S states, which come from the first and second dissociation channels of the SbP molecule, as well as 34 Ω states considering the spin-orbit coupling (SOC) effect. By solving the Schrödinger equation for nuclear motion, spectroscopic constants for the ground state XΣ and low-lying excited states were obtained and compared with experimental data. The excellent agreement indicates the reliability of our calculations.
View Article and Find Full Text PDFJ Sep Sci
January 2025
Department of Chemistry, Faculty of Philosophy, Sciences and Letters at Ribeirão Preto, University of São Paulo, São Paulo, Ribeirão Preto-SP, Brazil.
Cannabidiol (CBD) and Δ-tetrahydrocannabinol (THC), the main components of Cannabis sativa plants, can interact with specific cell receptors known as cannabinoid receptors (CBs). The endogenous compounds anandamide (AEA) and 2-arachidonoylglycerol (2-AG) are CB agonists, and, alongside enzymes, they constitute the endocannabinoid system (ECS) and take part in neuromodulation. Several LC-MS/MS methods have been developed to quantify these compounds in biological matrixes, but a fast and simple method that can determine these analytes in plasma samples simultaneously is not available.
View Article and Find Full Text PDFJ Hematol Oncol
January 2025
Department of Pharmacology, Yong Loo Lin School of Medicine, National University of Singapore, Singapore, 117600, Singapore.
The tumor microenvironment (TME) is integral to cancer progression, impacting metastasis and treatment response. It consists of diverse cell types, extracellular matrix components, and signaling molecules that interact to promote tumor growth and therapeutic resistance. Elucidating the intricate interactions between cancer cells and the TME is crucial in understanding cancer progression and therapeutic challenges.
View Article and Find Full Text PDFSci Rep
January 2025
School of Minerals and Energy Resources Engineering, University of New South Wales, Sydney, 2052, Australia.
N is generally employed as a displacement agent to enhance gas recovery in shale gas-bearing reservoirs. However, the primary displacement mechanism in the subsurface still needs to be clarified due to the characteristics of shale reservoirs with low porosity and abundant nanopores. This study employs the Molecular Dynamics (MD) simulation method to investigate the effects of N on the CH accumulation and displacement processes by adopting practical conditions in the subsurface environment.
View Article and Find Full Text PDFZhongguo Zhong Yao Za Zhi
December 2024
Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences Beijing 100700, China.
This study aimed to investigate the potential role of Colquhounia Root Tablets against bone destruction in rheumatoid arthritis(RA) and its molecular mechanism. The study used ultra-performance liquid chromatography-mass spectrometry to analyze the major components of Colquhounia Root Tablets and predicted its candidate target gene set based on the major components. The key targets of RA bone destruction were obtained through GeneCards and the Database of Genetics and Medical Literature(OMIM), protein-protein interaction(PPI) network was constructed, and the key targets were identified by topological analysis.
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