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Crucial Development: Criticality Is Important to Cell-to-Cell Communication and Information Transfer in Living Systems
This article is the fourth paper of the Special Issue Memory and Criticality. It bridges the the theoretical debate on the role of memory and criticality discussed in the three earlier manuscripts, with a review of key concepts in biology and focus on cell-to-cell communication in organismal development. The authors suggest that in conjunction with morphogenetic gradients, there exist gradients of information transfer creating cybernetic loops of stability and disorder, setting the stage for adaptive capability. Criticality, therefore, appears to be an important factor in the transmission, transfer and coding of information for complex adaptive system development.
Date:
August 31, 2021
Creator:
Hunt von Herbing, Ione; Tonello, Lucio; Benfatto, Maurizio; Pease, April & Grigolini, Paolo
System:
The UNT Digital Library
Unusual Mathematical Approaches Untangle Nervous Dynamics
Article reports that the massive amount of available neurodata suggests the existence of a mathematical backbone underlying neuronal oscillatory activities. The authors assert that the Monge’s theorem might contribute to our visual ability of depth perception and the brain connectome can be tackled in terms of tunnelling nanotubes.
Date:
October 14, 2022
Creator:
Tozzi, Arturo & Mariniello, Lucio
System:
The UNT Digital Library
Further Calculations on Solubility of 2-Chloro-3-(Trifluoromethyl)Pyridine in Ethanol + 1-Propanol Solvent Mixtures at Various Temperatures
This article reports on the reanalysis of reported calculations on solubility data of 2-chloro-3-(trifluoromethyl)pyridine in binary ethanol + 1-propanol solvent mixtures at various temperatures, and several additional points regarding the correlations.
Date:
May 25, 2017
Creator:
Jouyban, Abolghasem; Martínez, Fleming & Acree, William E. (William Eugene)
System:
The UNT Digital Library
Grand canonical simulations of electrochemical interfaces in implicit solvation models
Article discussing grand canonical simulations based on density-functional theory to study the thermodynamic properties of electrochemical interfaces of metallic electrodes in aqueous environments.
Date:
August 31, 2018
Creator:
Hörmann, Nicolas; Andreussi, Oliviero & Marzari, Nicola
System:
The UNT Digital Library
Self-organizing Complex Networks: individual versus global rules
This article introduces a form of Self-organized Criticality (SOC) inspired by the new generation of evolutionary game theory, which ranges from physiology to sociology.
Date:
June 7, 2017
Creator:
Mahmoodi, Korosh; West, Bruce J. & Grigolini, Paolo
System:
The UNT Digital Library
Solubility of tadalafil in aqueous mixtures of Transcutol® and PEG 400 revisited: correlation, thermodynamics and preferential solvation
Article analyzing mole fraction solubilities of tadalafil (3) in aqueous mixtures of Transcutol® and PEG 400 at temperatures from 298.15 to 333.15 K following Hildebrand solubility parameters.
Date:
February 16, 2022
Creator:
Shakeel, Faiyaz; Alshehri, Sultan; Ghoneim, Mohammed M.; Martínez, Fleming; Peña, María Á.; Jouyban, Abolghasem et al.
System:
The UNT Digital Library
Expanding the Equilibrium Solubility and Dissolution Thermodynamics of Benzoic Acid in Aqueous Alcoholic Mixtures
This article determines the equilibrium solubility of benzoic acid in water and ethanol, as well as in nine {ethanol (1) + water (2)} mixtures from T = (293.15 to 323.15) K. The thermodynamic results presented could be useful in optimizing different physical and chemical processes involving benzoic acid in mixed aqueous-ethanol media.
Date:
August 1, 2022
Creator:
Akay, Sema; Kayan, Berkant; Peña, M. Ángeles; Jouyban, Abolghasem; Martínez, Fleming & Acree, William E. (William Eugene)
System:
The UNT Digital Library
Solubility, Correlation, Dissolution Thermodynamics and Preferential Solvation of Meloxicam in Aqueous Mixtures of 2-Propanol
Article studying solid-liquid equilibrium of meloxicam in {2-propanol + water} mixtures at several temperatures as a contribution to preformulation studies of homogeneous liquid pharmaceutical dosage forms based on this drug.
Date:
May 18, 2021
Creator:
Tinjacá, Darío; Martínez, Fleming; Almanza, Ovidio A.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
System:
The UNT Digital Library
Increasing the Equilibrium Solubility of Meloxicam in Aqueous Media by Using Dimethyl Sulfoxide as a Cosolvent: Correlation, Dissolution Thermodynamics and Preferential Solvation
This article studies the solubility of meloxicam in dimethyl sulfoxide (DMSO)-aqueous solvent systems at several temperatures from 273.15 to 313.15 K to expand the solubility database about analgesic drugs in mixed solvents.
Date:
August 12, 2022
Creator:
Tinjacá, Darío; Martínez, Fleming; Almanza, Ovidio A.; Peña, María Á.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
System:
The UNT Digital Library
Entropic Approach to the Detection of Crucial Events
This article establishes a clear distinction between two processes yielding anomalous diffusion and 1/ f noise. One of the processes, Aging Fractional Brownian Motion (AFBM), has been concluded to be the form of communication between the heart and the brain.
Date:
December 22, 2018
Creator:
Culbreth, Garland; West, Bruce J. & Grigolini, Paolo
System:
The UNT Digital Library
Genetic Mutations in the S-loop of Human Glutathione Synthetase: Links Between Substrate Binding, Active Site Structure and Allostery
This article uses molecular dynamics simulations and experimental point mutations to probe the role of S-loop residues in tertiary structure, substrate binding, and allosteric communication.
Date:
November 29, 2018
Creator:
Ingle, Brandall L.; Shrestha, Bibesh; De Jesus, Margarita C.; Conrad-Webb, Heather M.; Anderson, Mary E. & Cundari, Thomas R., 1964-
System:
The UNT Digital Library
Complexity Synchronization of Organ Networks
Article describes how the transdisciplinary nature of science as a whole became evident as the necessity for the complex nature of phenomena to explain social and life science, along with the physical sciences, blossomed into complexity theory and most recently into complexitysynchronization. The authors use the scaling of empirical datasets from the brain, cardiovascular and respiratory networks to support the hypothesis that complexity synchronization occurs between scaling indices or equivalently with the matching of the time dependencies of the networks' multifractal dimensions.
Date:
September 28, 2023
Creator:
West, Bruce J.; Grigolini, Paolo; Kerick, Scott E.; Franaszczuk, Piotr J. & Mahmoodi, Korosh
System:
The UNT Digital Library
Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER, and OpenFF families against experimental cross-solvation free energies
This article builds on a previous study [Kashefolgheta et al., J. Chem. Theory. Comput., 2020, 16, 7556–7580] by extending the comparison to five additional force fields, GROMOS-54A7, GROMOS-ATB, OPLS-LBCC, AMBER-GAFF2, and OpenFF.
Date:
April 30, 2021
Creator:
Kashefolgheta, Sadra; Wang, Shuzhe; Acree, William E. (William Eugene) & Hünenberger, Philippe H.
System:
The UNT Digital Library
Fractal structure of human and primate social networks optimizes information flow
Article describes how primate and human social groups exhibit a fractal structure that has a very limited range of preferred layer sizes. The authors calculate the size dependence of the scaling properties of complex social network models and argue that this aggregate behavior exhibits a form of collective intelligence.
Date:
June 7, 2023
Creator:
West, Bruce J.; Culbreth, Garland; Dunbar, Robin I. M. & Grigolini, Paolo
System:
The UNT Digital Library
Deep Minimum and a Vortex for Positronium Formation in Low-Energy Positron-Helium Collisions
This article finds a zero in the positronium formation scattering amplitude and a deep minimum in the logarithm of the corresponding differential cross section for positron–helium collisions for an energy just above the positronium formation threshold. Results show that there is a valley in the logarithm of the positronium formation differential cross section that includes the deep minimum and also a minimum in the forward direction.
Date:
August 6, 2021
Creator:
Alrowaily, Albandari W.; Quintanilla, Sandra J. & Van Reeth, Peter
System:
The UNT Digital Library
Coordination corrected ab initio formation enthalpies
Article proposes the “coordination corrected enthalpies” method (CCE), based on the number of nearest neighbor cation–anion bonds, and also capable of correcting relative stability of polymorphs.
Date:
May 15, 2019
Creator:
Friedrich, Rico; Usanmaz, Demet; Oses, Corey; Supka, Andrew; Fornari, Marco; Buongiorno Nardelli, Marco et al.
System:
The UNT Digital Library
Ab Initio Calculations and Kinetic Modeling of Thermal Conversion of Methyl Chloride: Implications for Gasification of Biomass
This article investigates the thermal conversion of CH₃Cl.
Date:
November 8, 2017
Creator:
Singla, Mellika; Rasmussen, Morten Lund; Hashemi, Hamid; Wu, Hao; Glarborg, Peter; Pelucchi, Matteo et al.
System:
The UNT Digital Library
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields
This article presents Tinker-HP, a massively MPI parallel package dedicated to classical molecular dynamics (MD) and to multiscale simulations, using advanced polarizable force fields (PFF) encompassing distributed multipoles electrostatics.
Date:
November 24, 2017
Creator:
Lagardère, Louis; Jolly, Luc-Henri; Lipparini, Filippo; Aviat, Félix; Stamm, Benjamin; Jing, Zhifeng F. et al.
System:
The UNT Digital Library
Biophotons-and-emergence-of-quantum-coherencea-diffusion-entropy-analysisEntropy
This article studies the emission of photons from germinating seeds using an experimental technique designed to detect light of extremely small intensity. It analyzes the dark count signal without germinating seeds as well as the photon emission during the germination process.
Date:
April 29, 2021
Creator:
Benfatto, Maurizio; Pace, Elisabetta; Curceanu, Catalina; Scordo, Alessandro; Clozza, Alberto; Davoli, Ivan et al.
System:
The UNT Digital Library
Meditation-Induced Coherence and Crucial Events
This article emphasizes that 1/f noise has two different origins, one compatible with Laplace determinism and one determined by unpredictable crucial events.
Date:
May 29, 2018
Creator:
Tuladhar, Rohisha; Bohara, Gyanendra; Grigolini, Paolo & West, Bruce J.
System:
The UNT Digital Library
Complex Periodicity and Synchronization
Article explores experimental walking synchronization and complexity restoration. The main goal is to establish a physiological foundation of these important results based on the recent advances on the dynamics of the brain, interpreted as a system at criticality.
Date:
September 30, 2020
Creator:
Grigolini, Paolo; Mahmoodi, Korosh & West, Bruce J.
System:
The UNT Digital Library
Self-Assembly-Directed Organization of a Fullerene–Bisporphyrin into Supramolecular Giant Donut Structures for Excited-State Charge Stabilization
This article creates a well-defined architecture for functional materials composed of spontaneously self-assembled electron donor and acceptor entities capable of generating long-lived charge-separated states upon photoillumination and reports the synthesis of a new fullerene–bis-Zn-porphyrin e-bisadduct by tether-directed functionalization of C60 via a multistep synthetic protocol.
Date:
July 14, 2021
Creator:
Caballero, Rubén; Barrejón, Myriam; Cerdá, Jesús; Aragó, Juan; Seetharaman, Sairaman; de la Cruz, Pilar et al.
System:
The UNT Digital Library
Complexity synchronization: a measure of interaction between the brain, heart and lungs
Authors of the article address the measurable consequences of the network effect (NE) on time series generated by different parts of the brain, heart, and lung organ-networks (ONs), which are directly related to their inter-network and intra-network interactions. The authors assert that these same physiologic ONs have been shown to generate crucial event (CE) time series, and herein are shown ,using modified diffusion entropy analysis (MDEA) to have scaling indices with quasiperiodic changes in complexity, as measured by scaling indices, over time.
Date:
July 15, 2023
Creator:
Mahmoodi, Korosh; Kerick, Scott E.; Grigolini, Paolo; Franaszczuk, Piotr J. & West, Bruce J.
System:
The UNT Digital Library
Molecular Dynamics Simulations of the [2Fe–2S] Cluster-Binding Domain of NEET Proteins Reveal Key Molecular Determinants That Induce Their Cluster Transfer/Release
Article examines NEET proteins and aberrant cluster release, which is implicated in a variety of human diseases, including cancer.
Date:
October 31, 2017
Creator:
Pesce, Luca; Calandrini, Vania; Marjault, Henri-Baptiste; Lipper, Colin H.; Rossetti, Gulia; Mittler, Ron et al.
System:
The UNT Digital Library