Electronic and optical properties of thiogermanate AgGaGeS4: theory and experiment.

The electronic and optical properties of an AgGaGeS4 crystal were studied by first-principles calculations, where the full-potential augmented plane-wave plus local orbital (APW+lo) method was used together with exchange-correlation pseudopotential described by PBE, PBE+U, and TB-mBJ+U approaches. To verify the correctness of the present theoretical calculations, we have measured for the AgGaGeS4 crystal the XPS valence-band spectrum and the X-ray emission bands representing the energy distribution of the electronic states with the biggest contributions in the valence-band region and compared them on a general energy scale with the theoretical results. Such a comparison indicates that, the calculations within the TB-mBJ+U approach reproduce the electron-band structure peculiarities (density of states - DOS) of the AgGaGeS4 crystal which are in fairly good agreement with the experimental data based on measurements of XPS and appropriate X-ray emission spectra. In particular, the DOS of the AgGaGeS4 crystal is characterized by the existence of well-separated peaks/features in the vicinity of -18.6 eV (Ga-d states) and around -12.5 eV and -7.5 eV, which are mainly composed by hybridized Ge(Ga)-s/p and S-p state. We gained good agreement between the experimental and theoretical data with respect to the main peculiarities of the energy distribution of the electronic S 3p, Ag 4d, Ga 4p and Ge 4p states, the main contributors to the valence band of AgGaGeS4. The bottom of the conduction band is mostly donated by unoccupied Ge-s states, with smaller contributions of unoccupied Ga-s, Ag-s and S-p states, too. The AgGaGeS4 crystal is almost transparent for visible light, but it strongly absorbs ultra-violet light where the significant polarization also occurs.

First-principles study on the structural properties of 2D MXene SnSiGeN4 and its electronic properties under the effects of strain and an external electric field.

The MXene SnSiGeN4 monolayer as a new member of the MoSi2N4 family was proposed for the first time, and its structural and electronic properties were explored by applying first-principles calculations with both PBE and hybrid HSE06 approaches. The layered hexagonal honeycomb structure of SnSiGeN4 was determined to be stable under dynamical effects or at room temperature of 300 K, with a rather high cohesive energy of 7.0 eV. The layered SnSiGeN4 has a Young's modulus of 365.699 N m-1 and a Poisson's ratio of 0.295. The HSE06 approach predicted an indirect band gap of around 2.4 eV for the layered SnSiGeN4. While the major donation from the N-p orbitals to the band structure makes SnSiGeN4's band gap close to those of similar 2D MXenes, the smaller distributions from the other orbitals of Sn, Si, and Ge slightly vary this band gap. The work functions of the GeN and SiN surfaces are 6.367 eV and 5.903 eV, respectively. The band gap of the layered SnSiGeN4 can be easily tuned by strain and an external electric field. A semiconductor-metal transition can occur at certain values of strain, and with an electric field higher than 5 V nm-1. The electron mobility of the layered SnSiGeN4 can reach up to 677.4 cm2 V-1 s-1, which is much higher than the hole mobility of about 52 cm2 V-1 s-1. The mentioned characteristics make the layered SnSiGeN4 a very promising material for use in electronic and photoelectronic devices, and for solar energy conversion.

Layered post-transition-metal dichalcogenide SnGe2N4 as a promising photoelectric material: a DFT study.

First-principles calculations were performed to study a novel layered SnGe2N4 compound, which was found to be dynamically and thermally stable in the 2H phase, with the space group P6̄m2 and lattice constant a = 3.143 Å. Due to its hexagonal structure, SnGe2N4 exhibits isotropic mechanical properties on the x-y plane, where the Young's modulus is 335.49 N m-1 and the Poisson's ratio is 0.862. The layered 2H SnGe2N4 is a semiconductor with a direct band gap of 1.832 eV, allowing the absorption of infrared and visible light at a rate of about 104 cm-1. The DOS is characterized by multiple high peaks in the valence and conduction bands, making it possible for this semiconductor to absorb light in the ultraviolet region with an even higher rate of 105 cm-1. The band structure, with a strongly concave downward conduction band and rather flat valence band, leads to a high electron mobility of 1061.66 cm2 V-1 s-1, which is substantially greater than the hole mobility of 28.35 cm2 V-1 s-1. This difference in mobility is favorable for electron-hole separation. These advantages make layered 2H SnGe2N4 a very promising photoelectric material. Furthermore, the electronic structure of 2H SnGe2N4 responds well to strain and an external electric field due to the specificity of the p-d hybridization, which predominantly constructs the valence bands. As a result, strain and external electric fields can efficiently tune the band gap value of 2H SnGe2N4, where compressive strain widens the band gap, meanwhile tensile strain and external electric fields cause band gap reduction. In particular, the band gap is decreased by about 0.25 eV when the electric field strength increases by 0.1 V Å-1, making a semiconductor-metal transition possible for the layered SnGe2N4.

A critical review on relationship of CeO2-based photocatalyst towards mechanistic degradation of organic pollutant.

Nanostructured photocatalysts commonly offered opportunities to solve issues scrutinized with the environmental challenges caused by steep population growth and rapid urbanization. This photocatalyst is a controllable characteristic, which can provide humans with a clean and sustainable ecosystem. Over the last decades, one of the current thriving research focuses on visible-light-driven CeO2-based photocatalysts due to their superior characteristics, including unique fluorite-type structure, rigid framework, and facile reducing oxidizing properties of cerium's tetravalent (Ce4+) and trivalent (Ce3+) valence states. Notwithstanding, owing to its inherent wide energy gap, the solar energy utilization efficiency is low, which limits its application in wastewater treatment. Numerous modifications of CeO2 have been employed to enhance photodegradation performances, such as metals and non-metals doping, adding support materials, and coupling with another semiconductor. Besides, all these doping will form a different heterojunction and show a different way of electron-hole migration. Compared to conventional heterojunction, advanced heterojunction types such as p-n heterojunction, Z-scheme, Schottky junction, and surface plasmon resonance effect exhibit superior performance for degradation owing to their excellent charge carrier separation, and the reaction occurs at a relatively higher redox potential. This review attends to providing deep insights on heterojunction mechanisms and the latest progress on photodegradation of various contaminants in wastewater using CeO2-based photocatalysts. Hence, making the CeO2 photocatalyst more foresee and promising to further development and research.

Total serum cortisol level is low in children with severe dengue shock syndrome.

Dengue shock syndrome (DSS) is a potentially critical and life-threatening concern, especially in children of tropical countries. The serum cortisol levels in severe DSS or later stages of DSS are limited references. We prospectively studied an association between of serum cortisol as well as interleukin levels and the severity of DSS in pediatric patients. A prospective cross-sectional study of 35 consecutive DSS cases (3 months to 16 years old) admitted to our institution from July 1, 2019, to June 30, 2020 was conducted. Serum cortisol, IL-6, and IL-10 were measured at T0 (shock recognition) and T12 (12 hours after T0); their values were presented as median and interquartile ranges (25%-75%). Severe DSS included patients with impalpable pulses or systolic blood pressure < 70 mmHg, recurrent shock, and prolonged shock. In contrast, non-severe DSS presented circulatory failure without any features of severe DSS. A total of 8 (22.8%) severe DSS patients expressed the cortisol (T0) significantly lower compared to the non-severe DSS group (7.3 µg/dl versus 14.3 µg/dl, p=0.008). In severe DSS, there was a minimal change in cortisol levels between T0 and T12 (7.3 µg/dl and 4.7 µg/dl p>0.05), whereas the decrease is significant in their counterparts (14.3 µg/dl to 5.6 µg/dl, p<0.005). Additionally, there were moderate correlations between IL-6 (T0), IL-10 (T0), IL-10 (T12) and total fluid requirement (Spearman's rho = 0.47, 0.4, and 0.36, respectively; p<0.05). Our study demonstrated that adrenal dysfunction was present in patients with severe and non-severe DSS, as noted by cortisol level at T12. In addition, IL-6 and IL-10 levels are correlated with the total fluid requirement, which is a marker of DSS severity. Further studies could reveal how adrenal dysfunction in pediatric patients with DSS can affect outcomes and the potential roles of interleukin levels in fluid management strategy.

Repeated mappings of arm veins by physical examination: role of nephrologists in the selection of suitable veins for AV fistula surgery.

Multidisciplinary team work is important for a successful hemodialysis vascular access program. The authors present a clinical case to illustrate the potential dynamic factors that can affect vein sizes, independent from the operators' skills and experiences. Therefore, if the first examination fails to detect suitable veins, repeated examinations of arm veins by nephrologists during routine office visits may greatly assist the surgeons in the selection of suitable arm veins for arteriovenous fistula surgery.

Insect nicotinic acetylcholine receptor agonists as flea adulticides in small animals.

Fleas are significant ectoparasites of small animals. They can be a severe irritant to animals and serve as a vector for a number of infectious diseases. In this article, we discuss the pharmacological characteristics of four insect nicotinic acetylcholine receptor (nAChR) agonists used as flea adulticides in dogs and cats, which include three neonicotinoids (imidacloprid, nitenpyram, and dinotefuran) and a macrocyclic lactone (spinosad). Insect nAChR agonists are one of the most important classes of insecticides, which are used to control sucking insects on both plants and animals. These novel compounds provide a new approach for practitioners to safely and effectively eliminate adult fleas.

A new endosymbiotic bivalve (Heterodonta: Galeommatoidea), from Pacific holothurians.

A fourth known species of Entovalva (Mollusca: Galeommatoidea), found in the esophagus of Holothuria spinifera and Holothuria leucospilota from Nha Trang Bay, Viet Nam, is described. Morphologic comparisons with the 3 previously described species are presented and the first DNA sequences for Entovalva are provided. Entovalva nhatrangensis, n. sp., differs from Entovalva mirabilis Voeltzkow, 1890 in its body shape, folded outer body epithelium, and lack of ovary in the foot. It differs from Entovalva (Cycladoconcha) amboinensis (Spärk, 1931) in its body shape and folded outer body epithelium. It differs from Entovalva lessonothuriae Kato, 1998, in shape of its foot. Two partial cytochrome oxidase I sequences for species diagnostic use have been submitted to GenBank.

Current controversies in colon and rectal cancer.

Colon and rectal cancer is one of the leading causes of cancer death worldwide. Several areas of uncertainty remain in the screening and treatment of this disease, even though significant advances have already led to decreased rates of incidence and mortality over the last several decades. This review addresses some of the current controversies in screening for and the treatment of colorectal cancer, including specifically looking at issues related to screening modalities, local versus radical resections, protocols for adjuvant therapy and the treatment of stage IV disease.

Thrombolysis in recurrent lacunar stroke: a case example.

BACKGROUND AND PURPOSE: We report a case of intravenous thrombolysis in a patient with early recurrent stroke. A 62-year-old man recovered nearly completely after a lacunar infarct of the left putamen. He suffered stroke recurrence 7 days later due to a new infarct in the left internal capsule. Intravenous alteplase 0.9 mg/kg was administered 40 min after the symptom onset resulting in significant neurologic improvement. CONCLUSION: Intravenous thrombolysis may be safe for early recurrent lacunar stroke in patients with relatively small risk of hemorrhage.

Plasma vasopressin concentrations in healthy foals from birth to 3 months of age.

BACKGROUND: Arginine vasopressin (AVP) has received increased attention in equine critical care but there is minimal information of AVP concentration in foals. The clinical usefulness of measuring AVP in ill foals depends on knowledge of age-related changes in AVP concentrations in healthy foals. HYPOTHESIS: Plasma AVP concentrations will be significantly different when measured from birth to 3 months of age in healthy foals. ANIMALS: Thirteen healthy university-owned foals. METHODS: Prospective, observational study. Blood was collected from healthy foals at birth and 3, 5, 7, 10, 14, 21, 28, 42, 56, and 84 days of age. Plasma was harvested and plasma AVP concentrations were determined by radioimmunoassay. RESULTS: No statistically significant differences were detected in plasma AVP concentrations over the study period. Plasma AVP concentrations over the entire study period was 6.2+/-2.5 pg/mL. CONCLUSIONS AND CLINICAL IMPORTANCE: There was no age-related variation in plasma AVP concentrations detected in healthy foals from birth to 3 months of age suggesting that AVP concentrations are similar across foals of these ages.

Containment wells to form hydraulic barriers along site boundaries.

In the field, aquifer remediation methods include pump and treat procedures based on hydraulic control systems. They are used to reduce the level of residual contamination present in the soil and soil pores of aquifers. Often, physical barriers are erected along the boundaries of the target (aquifer) site to reduce the leakage of the released soil contaminant to the surrounding regions. Physical barriers are expensive to build and dismantle. Alternatively, based on simple hydraulic principles, containment wells or image wells injecting clear water can be designed and built to provide hydraulic barriers along the contaminated site boundaries. For brevity, only one pattern of containment well system that is very effective is presented in detail. The study briefly reports about the method of erecting a hydraulic barrier around a contaminated region based on the simple hydraulic principle of images. During the clean-up period, hydraulic barriers can considerably reduce the leakage of the released contaminant from the target site to surrounding pristine regions. Containment wells facilitate the formation of hydraulic barriers. Hence, they control the movement of contaminants away from the site that is being remedied. However, these wells come into play, only when the pumping operation for cleaning up the site is active. After operation, they can be filled with soil to permit the natural ground water movement. They can also be used as monitoring wells.

Statistical evaluation of FRAM gamma-ray isotopic analysis data.

High-purity germanium (HPGe) detector gamma-ray spectra were analyzed using the FRAM (fixed energy, response function analysis with multiple efficiencies) gamma-ray isotopic analysis software. The analyses are based on multiple measurements of samples having well-documented isotopic composition from mass spectrometry measurements. Statistical analyses of the FRAM results are reported, the errors in FRAM analyses arising from the choice of detector type and the energy region are discussed, and the errors that resulted from sample-dependent and analysis-dependent effects are quantified.

Aldosterone resistance in kidney transplantation is in part induced by a down-regulation of mineralocorticoid receptor expression.

BACKGROUND: After renal transplantation immunosuppressive drugs-like cyclosporin A (CsA) and FK506 induce either hypoaldosteronism or pseudo-hypoaldosteronism presenting with hyperkalemia and metabolic acidosis. We investigated the relationship between renal allograft function under CsA therapy and plasma aldosterone concentration, potassium- and water homeostasis and mineralocorticoid receptor (MR) expression level in peripheral leukocytes. METHODS: We studied 21 renal transplant patients under CsA therapy and 12 healthy controls. Transplant recipients were studied before and under fludrocortisone treatment. Using quantitative reverse-phase polymerase chain reaction (RT-PCR) specific for the MR, we analyzed the level of expression of MR in peripheral leukocytes. RESULTS: In acidotic transplant recipients (HCO(3) 18.5 +/- 1.2 mM) renal function was only slightly impaired with 2.0 +/- 0.2 mg creatinine/dL when compared with 1.8 +/- 0.3 mg/dL (ns) in non-acidotic patients (HCO(3) 23.0 +/- 2.8 mM). Mean plasma aldosterone levels in renal transplant recipients did not differ from control levels (150 +/- 33 pg/mL vs. 148 +/- 33 pg/mL, ns). In contrast, the expression level of MR in peripheral leukocytes of renal transplant recipients treated with CsA was significantly decreased when compared with healthy controls without renal disease (120 +/- 78 vs. 423 +/- 73 RNA molecules/0.5 microg total RNA, p < 0.01). The level of expression of MR in renal transplant recipients did not differ between acidotic patients and non-acidotic patients (ns). The application of fludrocortisone reversed hyperkalemia and metabolic acidosis without significant effect on MR expression. CONCLUSIONS: The present data demonstrate that hyperkalemia and metabolic acidosis following CsA treatment in kidney transplantation might be associated with a down-regulation of MR expression on peripheral leukocytes. Electrolyte imbalance is reversible on application of fludrocortisone. This observation supports fludrocortisone treatment in transplant patients with severe electrolyte disturbances.

Soil water content and organic carbon availability are major determinants of soil microbial community composition.

Exploration of environmental factors governing soil microbial community composition is long overdue and now possible with improved methods for characterizing microbial communities. Previously, we observed that rice soil microbial communities were distinctly different from tomato soil microbial communities, despite management and seasonal variations within soil type. Potential contributing factors included types and amounts of organic inputs, organic carbon content, and timing and amounts of water inputs. Of these, both soil water content and organic carbon availability were highly correlated with observed differences in composition. We examined how organic carbon amendment (compost, vetch, or no amendment) and water additions (from air dry to flooded) affect microbial community composition. Using canonical correspondence analysis of phospholipid fatty acid data, we determined flooded, carbon-amended (+C) microcosm samples were distinctly different from other +C samples and unamended (-C) samples. Although flooding without organic carbon addition influenced composition some, organic carbon addition was necessary to substantially alter community composition. Organic carbon availability had the same general effects on microbial communities regardless of whether it was compost or vetch in origin. In addition, flooded samples, regardless of organic carbon inputs, had significantly lower ratios of fungal to bacterial biomarkers, whereas under drier conditions and increased organic carbon availability the microbial communities had higher proportions of fungal biomass. When comparing field and microcosm soil, flooded +C microcosm samples were most similar to field-collected rice soil, whereas all other treatments were more similar to field-collected tomato soil. Overall, manipulating water and carbon content selected for microbial communities similar to those observed when the same factors were manipulated at the field scale.

A multidisciplinary team approach to increasing AV fistula creation.

Despite high patient comorbid factors, our Renal Care [table: see text] Group program was able to totally eliminate placement of AV grafts and to use only fistulae with an acceptable rate of catheter use--all within four years' time. This demonstrated the importance and value of a multidisciplinary vascular access team. Organization was the key element. All the team members were already in place prior to 1996, but they were not focused on vascular access and lacked education in this area. With the nephrologist not trained in fistula creation and not involved in that process, the absence of leadership led to a high number of dialysis grafts and catheters and frequent thrombotic and infectious complications. The nephrologist must assume the team leadership since he or she is the only provider who can interact with all other team members (see Table 3, p. 60). It is recommended that each nephrology group select a lead nephrologist to begin the team-building process (see Table 4, p. 60). A checklist (see Table 5) should be maintained for each pre-dialysis or dialysis patient as documentation for vein mapping and a surgical plan. This will make preoperative vein mapping mandatory for every patient. Education is important at all levels of the multidisciplinary team. This training effort should be started during nephrology fellowship, surgery and radiology residency, dialysis staff education programs, and renal networks. In 2002, the NW Renal Network led the way with fistula creation seminars, focusing on practicing nephrologists, surgeons, radiologists, and dialysis caregivers. The result of this Vascular Access Quality Improvement Program is pending.

Two recombination-dependent DNA replication pathways of bacteriophage T4, and their roles in mutagenesis and horizontal gene transfer.

Two major pathways of recombination-dependent DNA replication, "join-copy" and "join-cut-copy," can be distinguished in phage T4: join-copy requires only early and middle genes, but two late proteins, endonuclease VII and terminase, are uniquely important in the join-cut-copy pathway. In wild-type T4, timing of these pathways is integrated with the developmental program and related to transcription and packaging of DNA. In primase mutants, which are defective in origin-dependent lagging-strand DNA synthesis, the late pathway can bypass the lack of primers for lagging-strand DNA synthesis. The exquisitely regulated synthesis of endo VII, and of two proteins from its gene, explains the delay of recombination-dependent DNA replication in primase (as well as topoisomerase) mutants, and the temperature-dependence of the delay. Other proteins (e.g., the single-stranded DNA binding protein and the products of genes 46 and 47) are important in all recombination pathways, but they interact differently with other proteins in different pathways. These homologous recombination pathways contribute to evolution because they facilitate acquisition of any foreign DNA with limited sequence homology during horizontal gene transfer, without requiring transposition or site-specific recombination functions. Partial heteroduplex repair can generate what appears to be multiple mutations from a single recombinational intermediate. The resulting sequence divergence generates barriers to formation of viable recombinants. The multiple sequence changes can also lead to erroneous estimates in phylogenetic analyses.

The cyclin-dependent kinase Cdk5 controls multiple aspects of axon patterning in vivo.

Cyclin-dependent kinase 5 (Cdk5) is one of a subfamily of Cdks involved in the control of cell differentiation and morphology rather than cell division. Specifically, Cdk5 and its activating subunit, p35, have been implicated in growth cone motility during axon extension. Both Cdk5 and p35 are expressed in post-mitotic neurons and are localized to growth cones [1] [2] [3] [4]. The Cdk5-p35 complex interacts with the Rac GTPase, a protein required for growth cone motility [5]. Studies using cultured neurons have suggested that Cdk5 activity controls the efficiency of neurite extension [3] [4]. Mutant mice lacking p35 exhibit subtle axon-guidance defects [6], but these mice have severe defects in neuronal migration [6] [7] [8], making it difficult to define precisely the role of the Cdk5-p35 complex in vivo. Here, we examined Cdk5 function in axon patterning in the Drosophila embryo. Although our data support the idea that Cdk5-p35 is involved in axonogenesis, they do not support the view that Cdk5 simply promotes growth cone motility. Instead, we found that disrupting Cdk5 function caused widespread errors in axon patterning.

Improved imaging of carotid artery bifurcation using helical computed tomographic angiography.

Although duplex scan and magnetic resonance angiography (MRA) provide reliable and noninvasive tests for detecting extracranial carotid artery disease, they sometimes fail to differentiate between high-grade stenosis and total carotid occlusion. Helical computed tomographic angiography (CTA) is a safe, noninvasive technique that allows the rapid acquisition of data that can be reconstructed into two- and three-dimensional images. Axial images can be magnified and provide a cross-sectional view of the carotid vessel and the atherosclerotic plaque. Maximal intensity projection technique allows data to be reconstructed into images that closely resemble conventional arteriograms. Helical CTA has previously been shown to have a diagnostic accuracy approaching 90%. We present two case reports demonstrating the utility of helical CTA in carotid artery imaging when duplex scan and MRA results are ambiguous. These cases illustrate improved carotid imaging with helical CTA. Duplex scan results are unreliable in the presence of thick calcified plaques, and severe stenoses can be misread as occlusion by duplex and MRA due to low blood flow. Thus, helical CT angiography should be considered as a confirmatory test, before arteriography, when duplex scan or MRA results are equivocal.