Chemical diffusion master equation: formulations of reaction--diffusion processes on the molecular level

The chemical diffusion master equation (CDME) describes the probabilistic dynamics of reaction--diffusion systems at the molecular level [del Razo et al., Lett. Math. Phys. 112:49, 2022]; it can be considered the master equation for reaction--diffusion processes. The CDME consists of an infinite ordered family of Fokker--Planck equations, where each level of the ordered family corresponds to a certain number of particles and each particle represents a molecule. The equations at each level describe the spatial diffusion of the corresponding set of particles, and they are coupled to each other via reaction operators --linear operators representing chemical reactions. These operators change the number of particles in the system, and thus transport probability between different levels in the family. In this work, we present three approaches to formulate the CDME and show the relations between them. We further deduce the non-trivial combinatorial factors contained in the reaction operators, and we elucidate the relation to the original formulation of the CDME, which is based on creation and annihilation operators acting on many-particle probability density functions. Finally we discuss applications to multiscale simulations of biochemical systems among other future prospects

The Role of the Magnetic Field in the Interstellar Medium of the Post-Starburst Dwarf Irregular Galaxy NGC 1569

(abridged) NGC 1569 is a nearby dwarf irregular galaxy which underwent an intense burst of star formation 10 to 40 Myr ago. We present observations that reach surface brightnesses two to eighty times fainter than previous radio continuum observations and the first radio continuum polarization observations. These observations allow us to probe the relationship of the magnetic field of NGC 1569 to the rest of its interstellar medium. We confirm the presence of an extended radio continuum halo at 20 cm and see for the first time the radio continuum feature associated with the western Halpha arm at wavelengths shorter than 20cm. The spectral index trends in this galaxy support the theory that there is a convective wind at work in this galaxy. We derive a total magnetic field strength of 38 microG in the central regions and 10-15 microG in the halo. The magnetic field is largely random in the center of the galaxy; the uniform field is ~3-9 microG and is strongest in the halo. We find that the magnetic pressure is the same order of magnitude but, in general, a factor of a few less than the other components of the interstellar medium in this galaxy. The uniform magnetic field in NGC 1569 is closely associated with the Halpha bubbles and filaments. We suggest that a supernova-driven dynamo may be operating in this galaxy. The outflow of hot gas from NGC 1569 is clearly shaping the magnetic field, but the magnetic field in turn may be aiding the outflow by channeling gas out of the disk of the galaxy. Dwarf galaxies with extended radio continuum halos like that of NGC 1569 may play an important role in magnetizing the intergalactic medium.Comment: ApJ accepted. 56 pages, 14 figures (low resolution), 8 tables. Version with high resolution figures at http://www.astro.virginia.edu/~aak8t/data/n1569/ms.pd

Elevated left and reduced right orbitomedial prefrontal fractional anisotropy in adults with bipolar disorder revealed by tract-based spatial statistics

Context - Diffusion tensor imaging (DTI) studies in adults with bipolar disorder (BD) indicate altered white matter (WM) in the orbitomedial prefrontal cortex (OMPFC), potentially underlying abnormal prefrontal corticolimbic connectivity and mood dysregulation in BD. Objective - To use tract-based spatial statistics (TBSS) to examine WM skeleton (ie, the most compact whole-brain WM) in subjects with BD vs healthy control subjects. Design - Cross-sectional, case-control, whole-brain DTI using TBSS. Setting - University research institute. Participants - Fifty-six individuals, 31 having a DSM-IV diagnosis of BD type I (mean age, 35.9 years [age range, 24-52 years]) and 25 controls (mean age, 29.5 years [age range, 19-52 years]). Main Outcome Measures - Fractional anisotropy (FA) longitudinal and radial diffusivities in subjects with BD vs controls (covarying for age) and their relationships with clinical and demographic variables. Results - Subjects with BD vs controls had significantly greater FA (t > 3.0, P = .05 corrected) in the left uncinate fasciculus (reduced radial diffusivity distally and increased longitudinal diffusivity centrally), left optic radiation (increased longitudinal diffusivity), and right anterothalamic radiation (no significant diffusivity change). Subjects with BD vs controls had significantly reduced FA (t > 3.0, P = .05 corrected) in the right uncinate fasciculus (greater radial diffusivity). Among subjects with BD, significant negative correlations (P < .01) were found between age and FA in bilateral uncinate fasciculi and in the right anterothalamic radiation, as well as between medication load and FA in the left optic radiation. Decreased FA (P < .01) was observed in the left optic radiation and in the right anterothalamic radiation among subjects with BD taking vs those not taking mood stabilizers, as well as in the left optic radiation among depressed vs remitted subjects with BD. Subjects having BD with vs without lifetime alcohol or other drug abuse had significantly decreased FA in the left uncinate fasciculus. Conclusions - To our knowledge, this is the first study to use TBSS to examine WM in subjects with BD. Subjects with BD vs controls showed greater WM FA in the left OMPFC that diminished with age and with alcohol or other drug abuse, as well as reduced WM FA in the right OMPFC. Mood stabilizers and depressed episode reduced WM FA in left-sided sensory visual processing regions among subjects with BD. Abnormal right vs left asymmetry in FA in OMPFC WM among subjects with BD, likely reflecting increased proportions of left-sided longitudinally aligned and right-sided obliquely aligned myelinated fibers, may represent a biologic mechanism for mood dysregulation in BD

Impact of Iron Incorporation on 2-4 nm Size Silicon Nanoparticles Properties

Iron-containing silicon nanoparticles were synthesized in an attempt to understand the effect of iron on the silicon nanoparticle (SiNP) photoluminescence and singlet-oxygen generation capacity. A wet chemical oxidation procedure of the sodium silicide precursor, obtained from the thermal treatment of a mixture of sodium, silicon, and an iron(III) organic salt under anaerobic conditions, was employed. Surface-oxidized and propylamine-terminated SiNPs were characterized using high-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, time-resolved and steady-state photoluminescence, and time-correlated fluorescence anisotropy. On the basis of differences in the morphology, crystal structure, density, and photoluminescence spectrum, two distinct types of SiNPs were identified in a given synthesis batch: iron-free and iron-containing SiNPs. The results show that iron is inhomogeneously incorporated in the SiNPs leading to an efficient photoluminescence quenching. Emission arrives mainly from 2 nm size iron-free SiNPs. The nanoparticles were shown to generate singlet oxygen (1O2) upon 355 nm irradiation, though they were able to quench 1O2. Analysis of cytotoxicity using MTT assay on rat glioma C6 cells showed a strong dependence on the nature of the surface groups, as 100 μg/mL of propylamine-terminated iron-containing SiNPs leads to 85% decrease in cell viability while equal amounts of surface oxidized particles induced a 35% of cell death.Fil: Romero, Juan José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; ArgentinaFil: Wegmann, Marc. Friederich-Alexander University of Erlangen-Nuremberg; AlemaniaFil: Rodriguez, Hernan Bernardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; ArgentinaFil: Lillo, Rolando Cristian Rodrigo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; ArgentinaFil: Rubert, Aldo Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; ArgentinaFil: Klein, Stefanie. Friederich-Alexander University of Erlangen-Nuremberg; AlemaniaFil: Kotler, Monica Lidia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química Biológica de la Facultad de Ciencias Exactas y Naturales; ArgentinaFil: Kryschi, Carola. Friederich-Alexander University of Erlangen-Nuremberg; AlemaniaFil: Gonzalez, Monica Cristina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; Argentin

Impaired sustained attention and executive dysfunction:bipolar disorder versus depression-specific markers of affective disorders

Objective - To identify neurocognitive measures that could be used as objective markers of bipolar disorder. Methods - We examined executive function, sustained attention and short-term memory as neurocognitive domains in 18 participants with bipolar disorder in euthymic state (Beuth), 14 in depressed state (Bdep), 20 with unipolar depression (Udep) and 28 healthy control participants (HC). We conducted four-group comparisons followed by relevant post hoc analyses. Results - Udep and Bdep, but not Beuth showed impaired executive function (p = 0.045 and p = 0.046, respectively). Both Bdep and Beuth, but not Udep, showed impaired sustained attention (p = 0.001 and p = 0.045, respectively). The four groups did not differ significantly on short-term memory. Impaired sustained attention and executive dysfunction were not associated with depression severity, duration of illness and age of illness onset. Only a small number of abnormal neurocognitive measures were associated with medication in Bdep and Beuth. Conclusion - Impaired sustained attention appears specific to bipolar disorder and present in both Beuth and Bdep; it may represent an objective marker of bipolar disorder. Executive dysfunction by contrast, appears to be present in Udep and Bdep and likely represents a marker of depression

Impact of Iron Incorporation on 2-4 nm Size Silicon Nanoparticles Properties

Iron-containing silicon nanoparticles were synthesized in an attempt to understand the effect of iron on the silicon nanoparticle (SiNP) photoluminescence and singlet-oxygen generation capacity. A wet chemical oxidation procedure of the sodium silicide precursor, obtained from the thermal treatment of a mixture of sodium, silicon, and an iron(III) organic salt under anaerobic conditions, was employed. Surface-oxidized and propylamine-terminated SiNPs were characterized using high-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, time-resolved and steady-state photoluminescence, and time-correlated fluorescence anisotropy. On the basis of differences in the morphology, crystal structure, density, and photoluminescence spectrum, two distinct types of SiNPs were identified in a given synthesis batch: iron-free and iron-containing SiNPs. The results show that iron is inhomogeneously incorporated in the SiNPs leading to an efficient photoluminescence quenching. Emission arrives mainly from 2 nm size iron-free SiNPs. The nanoparticles were shown to generate singlet oxygen (1O2) upon 355 nm irradiation, though they were able to quench 1O2. Analysis of cytotoxicity using MTT assay on rat glioma C6 cells showed a strong dependence on the nature of the surface groups, as 100 μg/mL of propylamine-terminated iron-containing SiNPs leads to 85% decrease in cell viability while equal amounts of surface oxidized particles induced a 35% of cell death.Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicada

Bucindolol modulates cardiac remodeling by attenuating oxidative stress in H9c2 cardiac cells exposed to norepinephrine

The increased circulation of norepinephrine, found in the diseased heart as a result of sympathetic nervous system overactivation, is responsible for its cardiotoxic effects including pathological hypertrophy, cell death, and oxidative stress. Bucindolol is a third generation adrenergic blocker, which acts on the β1 and β2 receptors, and has additional α1 antagonist activity. Thus, the aim of this study was to investigate the action of bucindolol on oxidative stress, hypertrophy, cell survival, and cell death signaling pathways in H9c2 cardiac cells exposed to norepinephrine. H9c2 cells were incubated with 10 μM norepinephrine for 24 h in the presence or absence of bucindolol (10 μM) treatment for 8 h. Western blot was used to determine the expression of proteins for hypertrophy/survival and death signaling pathways. Flow cytometry was used to assess cell death via caspase-3/7 activity and propidium iodide and reactive oxygen species via measuring the fluorescence of CM-H2DCFDA. Norepinephrine exposure resulted in an increase in oxidative stress as well as cell death. This was accompanied by an increased protein expression of LC3B-II/I. The protein kinase B/mammalian target of the rapamycin (Akt/mTOR) pathway which is involved in cardiac remodeling process was activated in response to norepinephrine and was mitigated by bucindolol. In conclusion, bucindolol was able to modulate cardiac remodeling which is mediated by oxidative stress