The bifunctional formalism: an alternative treatment of density functionals

The bifunctional formalism presents an alternative how to obtain the functional value from its functional derivative by exploiting homogeneous density scaling. In the bifunctional formalism the density dependence of the functional derivative is suppressed. Consequently, those derivatives have to be treated as formal functional derivatives. For a pointwise correspondence between the true and the formal functional derivative, the bifunctional expression yields the same value as the density functional. Within the bifunctional formalism the functional value can directly be obtained from its derivative (while the functional itself remains unknown). Since functional derivatives are up to a constant uniquely defined, this approach allows for a pointwise comparison between approximate potentials and reference potentials. This aspect is especially important in the field of orbital-free density functional theory, where the burden is to approximate the kinetic energy. Since in the bifunctional approach the potential is approximated directly, full control is given over the latter, and consequently over the final electron densities obtained from variational procedure. Besides the bifunctional formalism itself another concept is introduced, dividing the total non-interacting kinetic energy into a known functional part and a remainder, called Pauli kinetic energy. Only the remainder requires further approximations. For practical purposes sufficiently accurate Pauli potentials for application on atoms, molecular and solid-state systems are presented.

Production of Succinic Acid From Basfia succiniciproducens

Basfia succiniciproducens is a facultative anaerobic capnophilic bacterium, isolated from rumen, that naturally produces high amounts of succinic acid by fixing CO2 and using fumarate as final electron acceptor. This metabolic feature makes it one of the ideal candidates for developing biotechnological industrial routes that could eventually replace the polluting and environment unfriendly petrochemical ones that are still main sources for the production of this value-added compound. In fact, due to the large number of applications of succinic acid that range from the more traditional ones as food additive or pharmaceutical intermediate to the most recent as building block for biopolymers and bioplastic, increasing demand and market size growth are expected in the next years. In line with a “green revolution” needed to preserve our environment, the great challenge is the establishment of commercially viable production processes that exploit renewable materials and in particular preferably non-food lignocellulosic biomasses and waste products. In this review, we describe the currently available literature concerning B. succiniciproducens since the strain was first isolated, focusing on the different renewable materials and fermentation strategies used to improve succinic acid production titers to date. Moreover, an insight into the metabolic engineering approaches and the key physiological characteristics of B. succiniciproducens deduced from the different studies are presented.

Pengaruh Nitrat terhadap Biokorosi Logam oleh Konsorsium Bakteri Pereduksi Sulfat dari PLTA Saguling

<div><strong>The Influence of Nitrate in Metal Biocorrosion caused by Sulfate Reducing Bacteria from Saguling Hydropower</strong>. The corrosion facilitated and accelerated by the activities of microorganism is called biocorrosion. Sulfate reducing bacteria (SRB) is known as the bacteria that cause biocorrosion in anaerobic condition by using sulfate as the final electron acceptor. Biocorrosion reduces equipment lifetime and increases maintenance cost in industry. In the cooling system in Saguling hydropower, corrosion was commonly caused by utilization of contaminated water due to anorganic and organic waste, especially sulfate. In this research, sulfate reducing bacteria was isolated from biofilms in the cooling system of Saguling Hydropower. Molecular analysis using PCR-DGGE method with dsrB gene (350 bp) as molecular markers showed that SRB consortium contained 12 bands and assumed as different species of SRB. SRB consortium was tested to determine its biocorrosion activity over metal material of ST37 (carbon steel) and SUS304 (stainless steel). The consortium then treated with 7 different nitrate concentrations to determine its effect against the sulfate reducing bacteria activity. SRB consortium caused higher corrosion to ST37 than SUS304L, with the corrosion rate of 0.07660 mm/year and 0.00265 mm/year, respectively. Concentration of 10 mM nitrate effectively inhibited corrosion rate on ST37 and caused the changes in sulfate reducing bacteria communities, indicated by the disappearance of 6 bands in DGGE profile</div>

Supplemental Oxygen in the Newborn: Historical Perspective and Current Trends

Oxygen is the final electron acceptor in aerobic respiration, and a lack of oxygen can result in bioenergetic failure and cell death. Thus, administration of supplemental concentrations of oxygen to overcome barriers to tissue oxygen delivery (e.g., heart failure, lung disease, ischemia), can rescue dying cells where cellular oxygen content is low. However, the balance of oxygen delivery and oxygen consumption relies on tightly controlled oxygen gradients and compartmentalized redox potential. While therapeutic oxygen delivery can be life-saving, it can disrupt growth and development, impair bioenergetic function, and induce inflammation. Newborns, and premature newborns especially, have features that confer particular susceptibility to hyperoxic injury due to oxidative stress. In this review, we will describe the unique features of newborn redox physiology and antioxidant defenses, the history of therapeutic oxygen use in this population and its role in disease, and clinical trends in the use of therapeutic oxygen and mitigation of neonatal oxidative injury.

A Bioinspired Strategy for Directional Charge Propagation in Photoelectrochemical Devices Using Supramolecular Machinery

Molecular photoelectrochemical (PEC) devices are hampered by electron–hole recombination after photoinduced electron transfer (PET), causing losses in power conversion efficiency (PCE). Inspired by natural photosynthesis, we demonstrate the use of molecular machinery as a strategy to inhibit recombination, through organization of molecular components and unbinding of the final electron acceptor after reduction. We show that preorganization of the macrocyclic 3-NDI-ring electron acceptor to the PSTATION dye forming the PSTATION:3-NDI-ring pseudorotaxane, enables a “ring launching” event, upon PET from PSTATION to 3-NDI-ring releasing 3-NDI-ring•−. Implementing PSTATION:3-NDI-ring into p-type dye-sensitized solar cells (p-DSSCs) revealed a fivefold increase in PCE compared to benchmark dye P1, unable to facilitate pseudorotaxane formation. This active repulsion of anionic 3-NDI-ring•− with concomitant reformation PSTATION:3-NDI-ring circumvents recombination at semiconductor–dye interface, affording a twofold enhancement in hole lifetime. We envision this concept of supramolecular-directed charge-propagation will encourage further integration of molecular machinery into PEC devices.

Matily Herbal Drink May Reduce Oxidative Stress, Hyperglycemia, and Hyperlipidemia and Increases Immunity - Case Study Reports

Oxygen is an element indispensable for all aerobic organisms to sustain life (1). Cells produce energy mainly in the mitochondria through oxidative phosphorylation, a series of electron transfer in the Electron Transport Chain (ETC), where oxygen is the final electron acceptor. During this process, it creates free radicles by the mitochondria. Oxidative stress produces free radicals. A 70 Kgs man may produce nearly 2 Kg of free radicals in his body in a year (2). It is comparatively a huge amount. Examples offree radicals with one or more unpaired electrons are superoxide, hydroxyl, andnitric oxide radicals (1, 3). A molecule like oxygen is stable when it shares its electrons in the paired state, when it loses or gains an extra electron, it becomes unstable. This condition leads them to “steal” or take it from other biomolecules. This process leaves the biomolecules in the oxidative state, which can start pathological conditions. For example, when Low-Density Lipoproteins when becomingoxidized, causes atherosclerosis in the blood vessels and cause plaques inside the arteries (4).

Experimental oxygen concentration influences rates of mitochondrial hydrogen peroxide release from cardiac and skeletal muscle preparations

Mitochondria utilize the majority of oxygen (O2) consumed by aerobic organisms as the final electron acceptor for oxidative phosphorylation (OXPHOS) but also to generate reactive oxygen species (mtROS) that participate in cell signaling, physiological hormesis, and disease pathogenesis. Simultaneous monitoring of mtROS production and oxygen consumption ( Jo2) from tissue mitochondrial preparations is an attractive investigative approach, but it introduces dynamic changes in media O2 concentration ([O2]) that can confound experimental results and interpretation. We utilized high-resolution fluorespirometry to evaluate Jo2 and hydrogen peroxide release ( Jh2o2) from isolated mitochondria (Mt), permeabilized fibers (Pf), and tissue homogenates (Hm) prepared from murine heart and skeletal muscle across a range of experimental [O2]s typically encountered during respirometry protocols (400–50 µM). Results demonstrate notable variations in Jh2o2 across tissues and sample preparations during nonphosphorylating (LEAK) and OXPHOS-linked respiration states at 250 µM [O2] but a linear decline in Jh2o2 of 5–15% per 50-µM decrease in chamber [O2] in all samples. Jo2 was generally stable in Mt and Hm across [O2]s above 50 µM but tended to decline below 250 µM in Pf, leading to wide variations in assayed rates of Jh2o2/O2 across chamber [O2]s and sample preparations. Development of chemical background fluorescence from the H2O2 probe (Amplex Red) was also O2 sensitive, emphasizing relevant calibration considerations. This study highlights the importance of monitoring and reporting the chamber [O2] at which Jo2 and Jh2o2 are recorded during fluorespirometry experiments and provides a basis for selecting sample preparations for studies addressing the role of mtROS in physiology and disease.

Advances in global optimization of high brightness beams

High brightness electron beams play an important role in accelerator-based applications such as driving X-ray free electron laser (FEL) radiation. In this paper, we report on advances in global beam dynamics optimization of an accelerator design using start-to-end simulations and a new parallel multi-objective differential evolution optimization method. The global optimization results in significant improvement of the final electron beam brightness.

Off-shell fermion polarization and t-quark production

Standard calculation of the polarization of final electron for pure initial state may be reformulated as a problem of looking for the complete polarization axis of produced state. It gives method for calculation of polarization applicable for both final and intermediate state fermions. We discuss modification of the energy and spin projectors in theory with parity violation. The obtained projectors are used to give the most accurate parametrization of t-quark resonance curve and simultaneously for its off-shell polarization.