First-principles investigation of oxidized Si- and Ge-terminated diamond (100) surfaces.

Diamond is a semiconductor material with remarkable structural, thermal, and electronic properties that has garnered significant interest in the field of electronics. Although hydrogen (H) and oxygen (O) terminations are conventionally favored in transistor designs, alternative options, such as silicon (Si) and germanium (Ge), are being explored because of their resilience to harsh processing conditions during fabrication. Density-functional theory was used to examine the non-oxidized and oxidized group-IV (Si and Ge)-terminated diamond (100) surfaces. The (3 × 1) reconstructed surfaces feature an ether configuration and show relative stability compared with the bare surface. Hybrid-functional calculations of the electronic properties revealed reduced fundamental bandgaps (<1 eV) and lower negative electron affinities (NEAs) than those of H-terminated diamond surfaces, which is attributed to the introduction of unoccupied Si (Ge) states and the depletion of negative charges. Furthermore, oxidation of these surfaces enhanced the stability of the diamond surfaces but resulted in two structural configurations: ether and ketone. Oxidized ether configurations displayed insulating properties with energy gaps of ∼4.3 ± 0.3 eV, similar to H-terminated diamond (100) surfaces, whereas bridged ether configurations exhibited metallic properties. Oxidization of the metallic ketone configurations leads to the opening of relatively smaller gaps in the range of 1.1-1.7 eV. Overall, oxidation induced a shift from NEAs to positive electron affinities, except for the reverse-ordered ketone surface with an NEA of -0.94 eV, a value comparable to the H-terminated diamond (100) surfaces. In conclusion, oxidized group-IV-terminated diamond surfaces offer enhanced stability compared to H-terminated surfaces and display unique structural and electronic properties that are influenced by surface bonding.

Motor Decision-Making as a Common Denominator in Motor Pathology and a Possible Rehabilitation Target.

Despite the substantial progress in motor rehabilitation, patient involvement and motivation remain major challenges. They are typically addressed with communicational and environmental strategies, as well as with improved goal-setting procedures. Here we suggest a new research direction and framework involving Neuroeconomics principles to investigate the role of Motor Decision-Making (MDM) parameters in motivational component and motor performance in rehabilitation. We argue that investigating NE principles could bring new approaches aimed at increasing active patient engagement in the rehabilitation process by introducing more movement choice, and adapting existing goal-setting procedures. We discuss possible MDM implementation strategies and illustrate possible research directions using examples of stroke and psychiatric disorders.

Tandem Exon Duplications Expanding the Alternative Splicing Repertoire.

Tandem exon duplications play an important role in the evolution of eukaryotic genes, providing a generic mechanism for adaptive regulation of protein function. In recent studies, tandem exon duplications have been linked to mutually exclusive exon choice, a pattern of alternative splicing in which one and only one exon from a group of tandemly arranged exons is included in the mature transcript. Here, we revisit the problem of identifying tandem exon duplications in eukaryotic genomes using bioinformatic methods and show that tandemly duplicated exons are abundant not only in the coding parts, but also in the untranslated regions. We present a number of remarkable examples of tandem exon duplications, identify unannotated duplicated exons, and provide statistical support for their expression using large panels of RNA-seq experiments.

LED lighting optimization as applied to a vitamin space plant growth facility.

An algorithm of determining optimal LED lighting parameters for leafy crops (Chinese cabbage Brassica chinensis L. was taken as a model) in a vitamin space Plant Growth Facility is proposed. The lighting parameters to optimize were the level of photosynthetic photon flux density (PPFD), red and white LEDs PPFD ratio and pulse repetition period with a fixed pulse length 30 µs. Optimal lighting parameters should allow achieving a high biomass yield per consumed light energy, as well as high vitamin C content in the crop biomass. A quantitative optimality criterion for estimating the lighting parameters quality is suggested. For Chinese cabbage crop the maximum value of this criterion was obtained at the following lighting conditions parameters: PPFD - 500 µmol m-2 s-1, red/white ratio - 1.5, and pulse repetition period - 501 µs.

SMALL INTESTINAL TUMORS.

UNLABELLED: Small intestine is the longest part of the gastrointestinal tract. It represents 75% of its length and 90% of the mucosal surface. Benign tumors are observed at 3-6% and the malignant--1-3% of all cancers of all GI malignancies. PATIENTS AND RESULTS: 23 patients with small intestinal tumors between 2001 and 2014 were admitted in Second Department of surgery. They were comparable in age, location and tumor characteristics. The reasons for hospitalization of patients were following symptoms: bowel obstruction, abdominal pain, GI bleeding, anemia. The diagnosis was established on the clinical presentation, performance status and imaging procedures (CT and MRI). The histological types of the tumor were adenocarcinoma--56.5%, GIST--17.4%, sarcoma--9.3% NET--8.7%, and lymphoma--8.1%. Surgical treatment was performed in all patients and included tumor resection, followed by side-to-side or end-to-end anastomosis. CONCLUSION: Small intestinal tumors are characterized by a low frequency. Diagnosis is made in advanced stage of disease because of lack of symptoms and difficult determination of the clinical presentation. Surgery is the only method that allows radical treatment. Chemotherapy is recommended in patients with malignant small bowel tumors.

Minimally invasive approach to thyroid gland surgery--indications, methods, first results.

UNLABELLED: After the introduction of minimally invasive operative techniques in the surgery of organs located in body cavities, extensive work has been done in the last five years with respect to their application in thyroid gland surgery as well. MATERIALS AND METHODS: In 2011, 406 patients underwent thyroid surgery at the Department of Surgery, Kaspela General Hospital for Active Treatment EOOD - Plovdiv. The study involved 48 of these patients, chosen at random and divided into two groups (A-minimally invasive thyroidectomy (MIT) - 26 patients, and B - minimally invasive video-assisted thyroidectomy (MIVAT) - 22 patients). All patients included in the study were selected on the basis of presence of one or more indeterminate nodules (fine needle aspiration biopsy - FNAB) sized up to 3.5 cm, with normal size of the thyroid gland up to 20-25 cm2, detected by preoperative ultrasonography. The study excluded patients with recurrent goitre, malignant disease of the thyroid gland and evidence of preoperative radiation therapy in the area of the head, neck and/or upper mediastinum. The preoperative investigation included history, physical examination, blood indices, echography, gamma camera and FNAB. Sensation of pain was evaluated by the patients according to a visual analogue scale, where lack of pain was evaluated as 0, and the most severe pain was evaluated as 10. RESULTS: The average duration of the hospitalization of patients undergoing MIT was 16 +/- 3.14 hours, whereas the patients undergoing MIVAT had to stay at the hospital for 18 +/- 3.56 hours. No complications were registered regarding the recurrent laryngeal nerves (RLN), as well as the operative wound. It should be noted that in all patients the course of the respective RLN was identified during the operative intervention, visually in most cases, or by electrostimulation. Postoperative hypoparathyroidism, registered by measuring the level of serum calcium, was observed in one visual analogue scale, as well as in the administration of pain-relieving agents during hospitalization. Other complications were not registered for the follow-up period, which covered an average of 6.56 +/- 3.14 months. CONCLUSIONS: The clinical analysis of the patients observed gave us grounds to draw the following conclusions: 1. The minimally invasive approach in patients with thyroid gland pathology is a possible and favourable option in selected patients with size of the gland within certain limits and not suffering from severe concomitant diseases. 2. The results in both groups of patients were comparable and did not show significant difference.

Galantamine-based hybrid molecules with acetylcholinesterase, butyrylcholinesterase and γ-secretase inhibition activities.

We previously designed novel peptides-containing galantamine analogues. These compounds we analyzed for their putative inhibitory effect towards acetylcholinesterase, butyrylcholinesterase and γ-secretase, three activities of which could be central to various neurodegenerative pathologies including Alzheimer's disease. These pharmacological agents were virtually equipotent on acetylcholinesterase activity but display drastically higher inhibitory activities towards butyrylcholinesterase with several compounds displaying an about 100-fold higher activity than that harboured by galantamine. Strikingly, two of the galantamine amides that displayed low activity towards acetylcholinesterase exhibited the highest inhibitory potency towards butyrylcholinesterase (106 to 133 times more active than galantamine). Interestingly, five compounds show a rather good γ-secretase inhibitory potency while they retain their ability to inhibit AChE and/or BuChE activity. Thus, we have been able to design novel compounds with significant inhibitory activity against several of the enzymes responsible for key dysfunctions taking place in several neurodegenerative diseases. These mixed inhibitors could therefore be envisioned as potential pharmacological tools aimed at circumventing the degenerative processes taking place in these major pathologies.

QED effects in molecules: test on rotational quantum states of H2.

Quantum electrodynamic effects have been systematically tested in the progression of rotational quantum states in the X 1Σ(g)(+), v=0 vibronic ground state of molecular hydrogen. High-precision Doppler-free spectroscopy of the EF 1Σ(g)(+)-X 1Σ(g)(+) (0,0) band was performed with 0.005 cm(-1) accuracy on rotationally hot H2 (with rotational quantum states J up to 16). QED and relativistic contributions to rotational level energies as high as 0.13 cm(-1) are extracted, and are in perfect agreement with recent calculations of QED and high-order relativistic effects for the H2 ground state.

Spectral identification of diffuse resonances in H2 above the n = 2 dissociation limit.

The resonance structure in molecular hydrogen above the n = 2 dissociation limit is experimentally investigated in a 1 XUV + 1 VIS coherent two-step laser excitation process, with subsequent ionization of H(n = 2) products. Diffuse spectral features exhibiting widths of several cm(-1) in the excitation range of 118,500-120,500 cm(-1) are probed. Information on angular momentum selection rules for parallel and crossed polarizations, combination differences, the para-ortho distinction, extrapolation from rovibrational structure in the bound region below the n = 2 threshold, and mass-selective detection of H(2)(+) parent and H(+) daughter fragments is used as input. This allows for an assignment of the diffuse resonances observed in terms of (1)Σ(g)(+), (1)Π(g), and (1)Δ(g) states, specified with vibrational and rotational quantum numbers.

Synchrotron vacuum ultraviolet radiation studies of the D (1)Π(u) state of H(2).

The 3pπD (1)Π(u) state of the H(2) molecule was reinvestigated with different techniques at two synchrotron installations. The Fourier transform spectrometer in the vacuum ultraviolet wavelength range of the DESIRS beamline at the SOLEIL synchrotron was used for recording absorption spectra of the D (1)Π(u) state at high resolution and high absolute accuracy, limited only by the Doppler contribution at 100 K. From these measurements, line positions were extracted, in particular, for the narrow resonances involving (1)Π(u) (-) states, with an accuracy estimated at 0.06 cm(-1). The new data also closely match multichannel quantum defect calculations performed for the Π(-) components observed via the narrow Q-lines. The Λ-doubling in the D (1)Π(u) state was determined up to v=17. The 10 m normal incidence scanning monochromator at the beamline U125/2 of the BESSY II synchrotron, combined with a home-built target chamber and equipped with a variety of detectors, was used to unravel information on ionization, dissociation, and intramolecular fluorescence decay for the D (1)Π(u) vibrational series. The combined results yield accurate information on the characteristic Beutler-Fano profiles associated with the strongly predissociated Π(u) (+) parity components of the D (1)Π(u) levels. Values for the parameters describing the predissociation width as well as the Fano-q line shape parameters for the J=1 and J=2 rotational states were determined for the sequence of vibrational quantum numbers up to v=17.

Spectroscopic observation and characterization of H(+)H(-) heavy Rydberg states.

A series of discrete resonances was observed in the spectrum of H2, which can be unambiguously assigned to bound quantum states in the 1/R Coulombic potential of the H+H- ion-pair system. Two-step laser excitation was performed, using tunable extreme ultraviolet radiation at lambda = 94-96 nm in the first step, and tunable ultraviolet radiation in the range lambda = 310-350 nm in the second step. The resonances, detected via H+ and H2+ ions produced in the decay process, follow a sequence of principal quantum numbers (n = 140-230) associated with a Rydberg formula in which the Rydberg constant is mass scaled. The series converges upon the ionic H+H- dissociation threshold. This limit can be calculated without further assumptions from known ionization and dissociation energies in the hydrogen system and the electronegativity of the hydrogen atom. A possible excitation mechanism is discussed in terms of a complex resonance. Detailed measurements are performed to unravel and quantify the decay of the heavy Rydberg states into molecular H2+ ions, as well as into atomic fragments, both H(n = 2) and H(n = 3). Lifetimes are found to scale as n3.

Observation of a Rydberg series in H+H-: a heavy Bohr atom.

We report on the realization of a heavy "Bohr atom," through the spectroscopic observation of a Rydberg series of bound quantum states at principal quantum numbers n=140 to 230. The system is made heavy by replacing an electron inside a hydrogen atom by a composite H- particle, thus forming a H+H- Coulombically bound system obeying the physical laws of a generalized atom with appropriate mass scaling.

Interactions of the 3ppi u c1Pi u(v=2) Rydberg-complex member in isotopic N2.

The 3ppi u c1Pi u-X 1Sigmag+(2,0) Rydberg and b' 1Sigmau+-X 1Sigmag+(7,0) valence transitions of 14N2, 14N15N, and 15N2 are studied using laser-based 1 extreme ultraviolet (XUV)+1' UV two-photon-ionization spectroscopy, supplemented by synchrotron-based hotoabsorption measurements in the case of 14N2. For each isotopomer, effective rotational interactions between the c(v=2) and b'(v=7) levels are found to cause strong Lambda-doubling in c(v=2) and dramatic P/R-branch intensity anomalies in the b'-X(7,0) band due to the effects of quantum interference. Local perturbations in energy and predissociation line width for the c(v=2) Rydberg level are observed and attributed to a spin-orbit interaction with the crossing, short-lived C 3Pi u(v=17) valence level.

HD as a probe for detecting mass variation on a cosmological time scale.

The strong electronic absorption systems of the B1 Sigma u+-X1 Sigma g+ Lyman and the C1Pi u-X1 Sigma g+ Werner bands can be used to probe possible mass-variation effects on a cosmological time scale from spectra observed at high redshift, not only in H2 but also in the second most abundant hydrogen isotopomer HD. High resolution laboratory determination of the most prominent HD lines at extreme ultraviolet wavelengths is performed at an accuracy of delta lambda/lambda approximately 5 x 10(-8), forming a database for comparison with astrophysical data. Sensitivity coefficients Ki = d ln lambda i/d ln mu are determined for HD from quantum ab initio calculations as a function of the proton-electron mass ratio mu. Strategies to deduce possible effects beyond first-order baryon/lepton mass ratio deviations are discussed.

KCC3 and KCC4 expression in rat adult forebrain.

Potassium chloride ion cotransporters (KCCs) are part of a family of transporters classically described as being involved in cell volume regulation. Recently, KCC2 has been shown to have a role in the development of the inhibitory actions of amine transmitters, whereas KCC3 also plays a fundamental role in the development and function of the central and peripheral nervous system. We have re-assessed the expression of each of the known KCCs in the rat forebrain using RT-PCR and in situ hybridisation histochemistry. As well as confirming the widespread expression of KCC1 and KCC2 throughout the brain, we now show a more restricted expression of KCC3a in the hippocampus, choroid plexus and piriform cortex, as well as KCC4 in the choroid plexus and the suprachiasmatic nucleus of the hypothalamus. The expression of KCC4 in the latter and KCC2 in the lateral hypothalamic and ventromedial hypothalamic nuclei suggests that these cotransporters may have selective roles in neuroendocrine or homeostatic functions. Finally, we demonstrate the existence of a truncated splice variation of KCC3a in the rat that appears to be expressed exclusively in neurons (as is KCC2), whereas the native form of KCC3a and KCC4 appears to be expressed in glial cells.

[CS by request--a reasonable alternative?].

The doctor-patient relation has been changing as a whole together with the evolution of society. The right of choice should play a main role in female public health as it represents a fundamental social and constitutional law. The growing rate of caesarean sections in Stara Zagora, Bulgaria and in the world are analyzed and the organizational factors having an impact on it are shown. On-line polls among doctors and patients were used. A conclusion was drawn that it is better to have the indication "caesarean section by patient's request" rather than performing abdominal deliveries under fabricated indications.

Neuromedin U neurones in the rat nucleus of the tractus solitarius are catecholaminergic and respond to peripheral cholecystokinin.

Centrally administered neuromedin U (NMU) has profound effects on food intake and energy expenditure. In the rat, central expression of NMU mRNA is confined to the brainstem and the hypothalamus/pituitary, while mRNA for the receptor NMU2R is expressed in the hypothalamus and hippocampus, as well as in the lining of the ventricular system, but not in the brainstem. We demonstrate that a subpopulation of catecholaminergic neurones in the brainstem nucleus of the tractus solitarius contain NMU and are activated by the gut-derived peptide, cholecystokinin. This is consistent with NMU neurones having an anorectic action, probably via their interaction with other neurones in the paraventricular hypothalamus.

Schematic illustration of some of the mechanisms for maintenance of homeostasis in organism.

The aim of the present paper is to illustrate schematically by a non-equal arm lever system the mechanisms that maintain the homeostasis of reactive oxygen species, glucose, mean arterial pressure and electrolytes. All regulating factors that increase the values of each physiological parameter are placed on the same arm of the lever system. The regulating factors that decrease this value are placed on the other arm of the lever. In this way the two types of factors interact with one another and maintain the lever system in a dynamic equilibrium, i.e., contribute to keeping the homeostasis. Illustrating the maintenance of homeostasis by a non-equal arm lever system gives the opportunity to express the quickness, flexibility, stability and effectiveness of physiological regulations.