Digital Chemical Engineering, 2022 COSMOSAC is a model that allows apriori predictions of activity coefficients for characterizing solute-solvent interactions. The method requires the input of sigma profile, the charge distribution on the surface of the molecules, which can be obtained ...
Jia-Lin Kang +3 more
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SIGMA: self-supervised inference of gene networks via masked auto-encoding [PDF]
Frontiers in GeneticsObjectivesInferring gene regulatory networks (GRNs) from expression profiles is essential for identifying critical genes within complex disease pathways. However, current machine learning-based GRN inference methods face two challenges.
Qian Wang +7 more
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Model of daytime emissions of electronically-vibrationally excited products of O3 and O2 photolysis: application to ozone retrieval [PDF]
Annales Geophysicae, 2006 The traditional kinetics of electronically excited products of O3 and O2 photolysis is supplemented with the processes of the energy transfer between electronically-vibrationally excited levels O2(a1Δg, v) and O2(b1Σ+g, v), excited atomic
V. A. Yankovsky, R. O. Manuilova
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A Mycobacterium tuberculosis sigma factor network responds to cell-envelope damage by the promising anti-mycobacterial thioridazine. [PDF]
PLoS ONE, 2010 Novel therapeutics are urgently needed to control tuberculosis (TB). Thioridazine (THZ) is a candidate for the therapy of multidrug and extensively drug-resistant TB.We studied the impact of THZ on Mycobacterium tuberculosis (Mtb) by analyzing gene ...
Noton K Dutta +2 more
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Sigma-1 Receptors in Depression: Mechanism and Therapeutic Development
Frontiers in Pharmacology, 2022 Depression is the most common type of neuropsychiatric illness and has increasingly become a major cause of disability. Unfortunately, the recent global pandemic of COVID-19 has dramatically increased the incidence of depression and has significantly ...
Peng Ren +7 more
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Molecules, 2020 The sigma receptors were classified into sigma-1 and sigma-2 receptor based on their different pharmacological profiles. In the past two decades, our understanding of the biological and pharmacological properties of the sigma-1 receptor is increasing ...
Kai Yang +5 more
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Estimated desert-dust ice nuclei profiles from polarization lidar: methodology and case studies [PDF]
Atmospheric Chemistry and Physics, 2015 A lidar method is presented that permits the estimation of height profiles of ice nuclei concentrations (INC) in desert dust layers. The polarization lidar technique is applied to separate dust and non-dust backscatter and extinction coefficients.
R. E. Mamouri, A. Ansmann
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Statistical Analysis of Properties of Technological Charge and Manufacturing Tolerance of Thin-Walled Sections in Process of Multi-Workstations Roller Bending [PDF]
Archives of Metallurgy and Materials, 2023 The studied collecting electrodes for electrostatic precipitators are cold-rolled formed. Here Sigma 750 open section was manufactured of DC01 steel grade. Length of the electrodes ranged from 8 to 13 meters, all were thin-walled of 1.5 mm.
P. Tracz +3 more
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Open-source generation of sigma profiles: impact of quantum chemistry and solvation treatment on machine learning performance [PDF]
Digital DiscoveryThe combination of machine learning (ML) models with chemistry-related tasks requires the description of molecular structures in a machine-readable way. The nature of these so-called molecular descriptors has a direct and major impact on the performance ...
Fathya Y. M. Salih +3 more
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Chemical Engineering Transactions, 2015 With advances in computational chemistry, phase behavior predictions without any experimental data are becoming possible. Models based on COSMO (COnductor-like Screening MOdels) are viable alternatives to group-contribution methods.
D. Borghi, C.R.A. Abreu, R. Guirardello
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