This study investigated pubertal changes in dendritic complexity

This study investigated pubertal changes in dendritic complexity or dentate gyrus neurons. Dendrites, spines, and cell bodies of Golgi-impregnated neurons

from the granule cell layer were traced in pre-, mid-, and late-pubertal male Syrian banisters (21, 35, and 49 days of age). Sholl analysis determined the number of intersections and total dendritic length contained in concentric spheres set at 25-mu m increments from the soma. Spine densities were quantified separately in proximal and distal segments of a subset of neurons used for the Sholl analysis. We round that the structure of neurons Momelotinib JAK/STAT inhibitor in the lower, but not upper, blade of the dentate gyrus changed during adolescence. The lower, infrapyramidal blade showed pruning of dendrites close to the cell body and increases in distal dendritic spine densities across adolescence. These data demonstrate that dentate gyrus neurons undergo substantial structural remodeling during adolescence and that patterns

of maturation are region specific. Furthermore, these changes in dendrite structure, which alter the electrophysiological properties of granule cells, are likely related to the adolescent development of hippocampal-dependent cognitive functions such as learning and memory, as well as hippocampus-mediated stress responsivity. (c) 2009 Wiley Periodicals. Inc, Develop Neurobiol 68: 1517-1526,2008″
“The complexity of human interactions with social and natural phenomena Entinostat datasheet is mirrored in the way we describe buy NU7441 our experiences through natural language. In order to retain and convey such a high dimensional information, the statistical properties of our linguistic output has to be

highly correlated in time. An example are the robust observations, still largely not understood, of correlations on arbitrary long scales in literary texts. In this paper we explain how long-range correlations flow from highly structured linguistic levels down to the building blocks of a text (words, letters, etc..). By combining calculations and data analysis we show that correlations take form of a bursty sequence of events once we approach the semantically relevant topics of the text. The mechanisms we identify are fairly general and can be equally applied to other hierarchical settings.”
“To describe the normal chronological radiographic appearances of the calcium sulphate-calcium phosphate (CaSO(4)/CaPO(4)) synthetic graft material following bone tumour resection during the processes of graft resorption and new bone incorporation into the post-resection defect.\n\nRetrospective review of our oncology database identified patients who had undergone serial radiographic assessment after treatment with the CaSO(4)/CaPO(4) synthetic graft following bone tumour resection.

Although some aspects in the pathophysiology of rosacea have been

Although some aspects in the pathophysiology of rosacea have been characterized find protocol in more detail during the past years, the precise interplay of the various dysregulated systems is still poorly understood. In early disease manifestations and milder stages, dysfunction of neurovascular

regulation and the innate immune system seem to be driving forces in rosacea pathophysiology. A disturbed chemokine and cytokine network further contributes to disease progression. This current review highlights some of the recent findings in rosacea pathophysiology and points out novel targets for therapeutic intervention.”
“The South China Sea (SCS) circulation in its southern region in the area between Peninsular Malaysia and East Malaysia was studied from the OCCAM (Ocean Circulation and Climate Advanced Modelling). This research aimed to illustrate the general overview of the seasonal surface current circulation and the surface temperature profile which are lacking in the region. The current along the Malaysia coast flows northward in the southwest monsoon and move in opposite direction in northeast monsoon with the maximum speed of 0.4 m/s ALK activation and I m/s, respectively. While the current flows southward, the cooler water is transported into the region which reduces the temperature at the central of the basins nearly

3 degrees C. The study manages to analyse the importance of the monsoonal system on the region circulation and temperature distribution.”
“A novel bamboo bundle laminated composite with a corrugated structure, Cilengitide ic50 denoted BCLC, was developed. The objective of this work was to investigate how the three-dimensional shrinkage and swelling properties are affected by the shape of the composites. Three types of stacking sequences

were designed and their shrinkage and swelling performances were compared. A shape parameter, K, was used to quantify the corrugated effect on the shrinkage or swelling in three directions. The dimensional stability of the BCLC was significantly different among the three directions of the composites, and it was affected by the stacking sequence of the bamboo bundles. Shrinkage ratio, swelling ratio, and drying coefficient were significantly greater in the thickness direction compared with those in the length or width directions. Corrugated effect in response to width and thickness direction was positive, vs. negative to length. The absolute value of shape parameter was largest in the length direction and smallest in the thickness direction, KL>KW>KT. The corrugated effect of BCLC was more pronounced with swelling than with shrinkage. The correlations of porosity ratio (PR) vs. apparent density (AD) was determined as r=-0.930, and that of WA vs. AD was determined as r=-0.940. The correlation of water absorption (WA) vs. PR was positive (r=0.997). The synergistic effect of stacking sequence accounted for 11.3%, 9.2%, and 0.6% of the total correlation above, respectively.

Electrophysiological guidance procedures were used to label dorsa

Electrophysiological guidance procedures were used to label dorsal raphe nucleus neurons with biotinylated dextran amine. The somatodendritic and axonal arborization domains of labeled neurons were reconstructed entirely from serial sagittal sections using a computerized image analysis system. Under anaesthesia, dorsal raphe nucleus neurons display highly regular (1.72 +/- 0.50 Hz) spontaneous firing patterns. They have a medium size cell body (9.8 +/- 1.7 mu m) with PLX3397 ic50 2-4 primary dendrites mainly oriented anteroposteriorly. The ascending axons of dorsal raphe nucleus are all highly collateralized and widely distributed (total axonal length up to 18.7 cm),

so that they can contact, in various combinations, forebrain structures as diverse as the striatum, the prefrontal cortex and the amygdala. Their morphological features and VGLUT3 content vary significantly according to their target sites. For example, EPZ-6438 high-resolution confocal analysis of the distribution of VGLUT3 within individually labeled-axons reveals that serotonin axon varicosities displaying VGLUT3 are larger (0.74 +/- 0.03 mu m) than those devoid of this protein (0.55 +/- 0.03 mu m). Furthermore, the percentage of axon varicosities that contain VGLUT3 is higher in the striatum (93%) than in the motor cortex (75%), suggesting that a complex trafficking mechanism of the VGLUT3 protein is at play within highly collateralized axons of the dorsal

raphe nucleus neurons. Our results provide the first direct evidence that the dorsal raphe nucleus ascending projections are composed of widely distributed neuronal systems, whose capacity to co-release serotonin and glutamate varies from one forebrain locus to the other.”
“Prunus serotina subsp.

capuli (Cav.) is an arboreal species with promising economic prospects in the timber, health-food and neutraceutical markets. Despite its cultural and EVP4593 NF-��B inhibitor commercial significance, limited information exists with regards to the degree of genetic variation and ecological history of P. serotina in Ecuador. The main objective of this study was to evaluate the degree of genetic diversity and population structure of Ecuadorian P. serotina, as a preliminary step towards understanding the distribution history of this species in Ecuador and establishing germplasm conservation programs. P. serotina samples (217, representing 8 provinces from the Ecuadorian highlands) were characterized using 8 heterologous SSR markers derived from related Prunus species. Expected heterozygosity across samples (H-e = 0.71) reveals a moderate level of genetic diversity for Ecuadorian P. serotina. Nevertheless, simple allele-count analysis indicates that Ecuadorian capuli has a narrower degree of allelic richness relative to collections from the species’ center of origin in North America. Furthermore, pairwise F statistics (0.0069 smaller than = Fst smaller than = 0.

Data collection and analysisTwo review authors undertook

\n\nData collection and analysis\n\nTwo review authors undertook data extraction and risk of bias assessment independently.\n\nMain results\n\nFour trials (979 participants)

were eligible for inclusion in this review. One trial in patients with recently healed venous ulcers (n = 153) compared recurrence rates with and without compression and found that compression significantly reduced ulcer recurrence at six months (Risk ratio (RR) 0.46, 95% CI 0.27 to 0.76).\n\nTwo trials compared high-compression hosiery (equivalent to UK class 3) with moderate-compression hosiery (equivalent to UK class 2). The first study (n=300) found no significant reduction in recurrence at five years follow up with high-compression hosiery compared with moderate-compression (RR 0.82, 95% CI 0.61 to 1.12). The second study (n = 338) MDV3100 molecular weight assessed ulcer recurrence at three years follow up and found that high-compression hosiery reduced recurrence compared with moderate-compression (RR 0.57, 95% CI 0.39 to 0.81). MI-503 order Statistically significant heterogeneity precluded meta-analysis of the results from these studies. Patient-reported compliance rates were reported in both trials;, there was significantly

higher compliance with medium-compression than with high-compression hosiery in one and no significant difference in the second.\n\nA fourth trial (166 patients) found no statistically significant difference in recurrence between two types of medium (UK class 2) compression hosiery (Medi versus Scholl: RR 0.74, 95% CI 0.45 to 1.2).\n\nNo trials of compression

bandages for preventing ulcer recurrence were identified.\n\nAuthors’ conclusions\n\nThere is evidence from one trial that compression hosiery reduces rates of reulceration of venous ulcers compared with no compression. Results from one trial suggest that recurrence is lower in high-compression hosiery than in medium-compression hosiery at three years whilst another trial found no difference at 5 years. Rates of patient intolerance of compression hosiery were high. There is insufficient evidence to aid selection of different types, brands, or lengths of compression TPCA-1 cell line hosiery.”
“Mitochondria must uptake some phospholipids from the endoplasmic reticulum (ER) for the biogenesis of their membranes. They convert one of these lipids, phosphatidylserine, to phosphatidylethanolamine, which can be re-exported via the ER to all other cellular membranes. The mechanisms underlying these exchanges between ER and mitochondria are poorly understood. Recently, a complex termed ER-mitochondria encounter structure (ERMES) was shown to be necessary for phospholipid exchange in budding yeast. However, it is unclear whether this complex is merely an inter-organelle tether or also the transporter. ERMES consists of four proteins: Mdm10, Mdm34 (Mmm2), Mdm12 and Mmm1, three of which contain the uncharacterized SMP domain common to a number of eukaryotic membrane-associated proteins.

Turk J Phys Med Rehab 2012;58:103-8 “
“PURPOSE: To evaluate

Turk J Phys Med Rehab 2012;58:103-8.”
“PURPOSE: To evaluate the effect of complete destruction of lens epithelial cells (LECs) in the capsular bag on intraocular lens (IOL) stability. SETTING: School of Biological Sciences, University of East Anglia, Norwich, United Kingdom. DESIGN: Comparative evaluation. METHODS: An in vitro organ culture model using the bag zonule ciliary body complex Selleckchem Copanlisib isolated from fellow human donor eyes was prepared. A capsulorhexis and fiber extraction

were performed, and an Acrysof IOL was implanted. Preparations were secured by pinning the ciliary body to a silicone ring and maintaining it in 6 mL Eagle minimum essential medium supplemented with 5% v/v fetal calf serum and 10 ng/mL transforming growth factor-beta 2 for 3 weeks or more. One bag of each pair was treated with 1 1,1,M thapsigargin to destroy all LECs. Observations of LEC growth were captured by phase-contrast microscopy, IOL stability by video microscopy, and endpoint analysis through scanning electron microscopy and immunocytochemistry. RESULTS The LECs in control capsular bags migrated centrally, closing the bag and fixating the IOL between the anterior and posterior capsules, as seen clinically. These events were not observed in the thapsigargin-treated group. After a period

of controlled orbital movement, the IOL in the control group stabilized quicker than in the treated bags. There was no IOL rotation PARP inhibitor drugs in the bag; however, the IOLs in the treated group rocked with axial movement. CONCLUSIONS: The LECs appeared to aid stabilization of current IOL designs in the capsular bag. The results have clinical implications for IOL design and for strategies to prevent posterior capsule MK 1775 opacification. (C) 2014 ASCRS and ESCRS”
“To evaluate if clinically usable estimates of physical performance and level of habitual physical activity are associated with fall risk in elderly men. A population-based

sample of 3014 randomly selected men aged 69-80 years was recruited to medical centers in Gothenburg, Malmoe, or Uppsala. The level of physical activity and self-reported falls during the preceding 12 months was evaluated using a questionnaire. The physical performance ability was estimated by measurements of handgrip strength, a timed stands test, a 6-m walking test and a 20-cm narrow walk test. Falls were reported in 16.5% of the men. Fallers performed 6.2 +/- 19.0% (mean +/- standard deviations; S. D.) less in right handgrip measures, 8.8 +/- 40.6% slower in the timed stands test, 6.8 +/- 30.8% slower in the 6-m walking test, and 5.3 +/- 28.8% slower in the 20-cm narrow walk test (all p < 0.001, respectively). The odds ratio for falls among men who performed < -3 S. D. or failed compared to the mean (+1 S. D. to -1 S. D.) in the timed stands test was 3.41 (95% CI 2.31-5.02; p < 0.001) and 2.46 (95% CI 1.80-3.34; p < 0.001) in 20-cm narrow walk test.

The aim of our study was to evaluate the role of preoperative mag

The aim of our study was to evaluate the role of preoperative magnetic resonance imaging (MRI) in determining occult invasive presence and disease extent in patients with preoperative diagnosis of pure DCIS. We analyzed 125 patients with postoperative pure DCIS (n=91) and DCIS plus invasive

component (n=34). Diagnostic mammography (MRX) showed Napabucasin a size underestimation rate of 30.4% while MRI showed an overestimation rate of 28.6%. Comparing the mean absolute error between preoperative MRI and MRX evaluations and final disease extent, MRI showed an improved accuracy of 51.2%. In our analysis preoperative breast MRI showed a better accuracy in predicting postoperative pathologic extent of disease, adding strength

to the growing evidences that preoperative MRI can lead to a more appropriate management of DCIS patients.”
“Aims\n\nTo describe 4-year treatment retention and treatment response among chronic, treatment-resistant heroin-dependent patients offered long-term heroin-assisted treatment (HAT) in the Netherlands.\n\nDesign\n\nObservational cohort study.\n\nSetting and intervention\n\nOut-patient treatment in specialized heroin treatment NCT-501 Metabolism inhibitor centres in six cities in the Netherlands, with methadone plus injectable or inhalable heroin offered 7 days per week, three times per day. Prescription of methadone plus heroin was supplemented with individually tailored psychosocial and medical support.\n\nParticipants\n\nHeroin-dependent patients who had responded positively to HAT in two randomized controlled trials and were eligible for long-term heroin-assisted treatment (n = 149).\n\nMeasurements\n\nPrimary outcome measures were treatment retention after 4 years and treatment response

on a dichotomous, multi-domain response index, comprising physical, mental and social health and illicit substance use.\n\nFindings\n\nFour-year retention was 55.7% [95% confidence interval (CI): 47.6-63.8%].\n\nTreatment\n\nResponse was significantly better for patients continuing 4 years of HAT compared to patients who discontinued treatment: 90.4% versus 21.2% [difference 69.2%; odds ratio (OR) = 48.4, 95% CI: 17.6-159.1]. Continued HAT treatment was also associated with an increasing AZD4547 supplier proportion of patients without health problems and who had stopped illicit drug and excessive alcohol use: from 12% after the first year to 25% after 4 years of HAT.\n\nConclusions\n\nLong-term HAT is an effective treatment for chronic heroin addicts who have failed to benefit from methadone maintenance treatment. Four years of HAT is associated with stable physical, mental and social health and with absence of illicit heroin use and substantial reductions in cocaine use. HAT should be continued as long as there is no compelling reason to stop treatment.”
“The transport and capture of therapeutic magnetic nanoparticles in human microvasculature is studied numerically.

This approach has been safe and effective in providing long term

This approach has been safe and effective in providing long term symptomatic relief to our two patients. Further studies comparing the outcomes of anterior versus posterior pseudoarthrectomy will guide the management of this condition. (C) 2013 Elsevier Ltd. All rights reserved.”
“Introduction. GSK2126458 It was previously demonstrated that decreased maternal blood flow might create impairment in skin development. The aim of this study was to show by means of lipid peroxidation the effect of intrauterine ischaemia-reperfusion injury on fetal rat skin.\n\nMethods. In total, 24 female Spraque-Dawley rats, 19

days pregnant, were used. They were separated into three groups (n = 8): a control group, a sham-operated group and an experimental group. Laparotomy was performed on all three groups. In the sham-operated and experimental groups, utero-ovarian artery dissection was performed in addition. In the experimental group, fetal ischaemia was induced by clamping the utero-ovarian artery bilaterally for 30 min, and reperfusion was achieved by removing the clamps for 60 min. At the end of the experiment, the fetuses were removed by caesarean section and skin specimens were taken from the fetuses. Lipid peroxidation in the skin tissues was determined as thiobarbituric acid

reactive substance (TBARS) concentration for each fetal rat. One-way ANOVA and post hoc tests were used for statistical analysis.\n\nResults. The level of TBARS was significantly increased in the fetal rat skin after ischaemia-reperfusion

injury compared with the control group.\n\nConclusion. Lipid peroxidation has an important role in intrauterine selleck kinase inhibitor ischaemia-reperfusion-induced fetal skin damage in rats.”
“This study was performed to clarify the involvement of impaired labyrinth zone (LZ) of the placenta in the developmental toxicity of diethylstilbestrol (DES). DES at 10g/kg per day was administered orally to mice on days 4 through 8 of gestation. Histological observation of the LZ and determination of blood glucose levels LDK378 in dam and fetus were performed on day 13. A high frequency of embryonic death was observed in the DES group. DES induced the underdevelopment of the plexus vasculosus, extensive maternal blood space and the decreased expression of glucose transporters in the LZ, and a reduction of the glucose level in embryos. These findings suggest that impaired LZ development may be related to the embryolethality of DES.”
“Purpose: To evaluate the effect of bleaching techniques on dentin permeability. The hypothesis was that the bleaching agent associated or not to etching and/or energy source would be able to increase dentin permeability (conductance). Methods: Fifty 1 mm-thick disks of mid-coronal dentin were obtained from human third molars, which were mounted in a filtration chamber, allowing exposure of a standardized area of 0.282 mm(2).

A p-value less than 0 05 was considered statistically significant

A p-value less than 0.05 was considered statistically significant.\n\nResults: Analysis with 38 patients in each mTOR inhibitor group showed characteristics such as age, body mass index (BM I), and duration of infertility were statistically similar in both groups. At 9 months follow-up, 9 (24%) women who had operative laparoscopies became pregnant compared with 7 (18%) women in the diagnostic laparoscopy group. The pregnancy rate showed no statistically significant difference between both groups

(p=0.49). No complications were reported in either group.\n\nConclusion: The present study suggested that laparoscopic surgical treatment was not superior to diagnostic laparoscopy in pregnancy occurrence in infertile women with minimal and mild endometriosis. (IRCT Number: IRCT201012311952N2).”
“Objectives: To develop and validate a new tool intended for measuring self-reported professional

competence among both nurse students prior to graduation and among practicing nurses. The new tool is based on formal competence requirements from the Swedish Board of Health and Welfare, which in turn are based on WHO guidelines.\n\nDesign: A methodological study including construction of a new scale and evaluation of its psychometric properties.\n\nParticipants and settings: Givinostat 1086 newly graduated nurse students from 11 universities/university colleges.\n\nResults: The analyses resulted in a scale named the NPC (Nurse Professional Competence) Scale, consisting of 88 items and covering eight factors: “Nursing care”, “Value-based nursing care”, “Medical/technical care”, “Teaching/learning and support”, “Documentation and information selleck chemicals llc technology”, “Legislation in nursing and safety planning”, “Leadership in and development of nursing care” and “Education and supervision of staff/students”. All factors achieved Cronbach’s alpha values greater than 0.70. A second-order exploratory analysis resulted in two main themes: “Patient-related nursing” and “Nursing care organisation and development”. In addition, evidence of known-group validity for the NPC Scale was obtained.\n\nConclusions:

The NPC Scale, which is based on national and international professional competence requirements for nurses, was comprehensively tested and showed satisfactory psychometrical properties. It can e.g. be used to evaluate the outcomes of nursing education programmes, to assess nurses’ professional competences in relation to the needs in healthcare organisations, and to tailor introduction programmes for newly employed nurses. (C) 2013 Elsevier Ltd. All rights reserved.”
“BACKGROUND: Constipation is common in Western societies, accounting for 2.5 million physician visits/year in the US. Because many factors predisposing to constipation also are risk factors for cardiovascular disease, we hypothesized that constipation may be associated with increased risk of cardiovascular events.\n\nMETHODS: We conducted a secondary analysis in 93,676 women enrolled in the observational arm of the Women’s Health Initiative.

5% and porcelain aorta in 7 5% of patients Fourteen asymptomatic

5% and porcelain aorta in 7.5% of patients. Fourteen asymptomatic patients (pts) (5.9%) remained in follow-up, 77 (32%) underwent surgical AVR, 64 (26.7%) underwent transcatheter valve implantation, 28 (11.6%) underwent balloon valvuloplasty and 57 (23.8%), despite symptoms, remained on medical therapy alone.\n\nConclusions: Comorbidities and coexisting cardiac diseases are very common in AS and 3MA may strongly influence the decision-making process. (C) 2011

Elsevier Ireland Ltd. All rights reserved.”
“The cellular composition of crescents in glomerular disease is controversial. The role of podocytes in crescent formation has been especially difficult to study because podocytes typically lose their characteristic terminally differentiated phenotype under disease conditions, making them difficult to identify.

We reasoned that the intermediate filament protein nestin, a marker of progenitor cells that has recently been identified in podocytes, may allow the investigation of Danusertib podocyte involvement in glomerular crescents. In a series of 35 biopsies with crescentic glomerular disease, all showed nestin-positive cells in the crescents, ranging in number from occasional to approximately 50% of crescent cells. Other podocyte markers, such as podocin and WT1, failed to identify cells in crescents, and no contribution by endothelial or myogenic cells was noted. CD68-positive cells were observed in 80% of cases

but were never as numerous as the nestin-positive cells. Nestin and CD68 were not coexpressed by the same cells, providing no evidence of trans-differentiation of podocytes into a macrophage phenotype. Keratin-positive cells were found in crescents in 51% of cases, but only as occasional cells. Up to one third of crescent cells were cycling in 48% of biopsies, and double immunostaining identified these cells as a mixture of nestin-positive https://www.selleckchem.com/products/pnd-1186-vs-4718.html cells and ” null ” cells (negative for nestin, CD68, and keratin). In addition to our observations in human disease, we also identified nestin-positive proliferating podocytes in the crescents of 2 mouse models of crescentic glomerulonephritis. We conclude that podocytes play a role in the formation of glomerular crescents.”
“The structure of a complex between a fragment of the adhesin GspB from Streptococcus gordonii and a disaccharide (PDB entries 3qd1 and 4i8e) has recently been proposed to identify the binding site for the sialyl-T antigen recognized by GspB. This structure exhibits numerous unrealistic and unusual features such as an excessive number of van der Waals clashes and a lack of correlation between atomic structure and experimental electron density. Here, it is shown that the crystallographic data can be fully explained by an alternative model, namely replacing the disaccharide with a buffer molecule.

In this study, QTL analysis was performed to identify markers lin

In this study, QTL analysis was performed to identify markers linked to high

BG and amylose in the hull-less barley varieties Falcon (4-5 % BG) and Azhul (8-9 % BG) using a newly developed recombinant inbred line (RIL) mapping population. The population was grown over 3 years (2007-2009) at sites in Yuma, AZ, USA; Leeston, New Zealand; Aberdeen, ID, USA; and Tetonia, ID, USA. We identified 17 QTL associated with either BG or amylose content. QTL contributing to high BG were located on chromosomes 3H, 4H, 5H, 6H and 7H, while QTL contributing to amylose were located on chromosomes 1H, 5H and 7H. Additionally, we identified QTL affecting both BG and amylose content located selleck kinase inhibitor on chromosomes 1H and 7H. Transgressive segregation was observed in some of the RILs and exceptions were discovered contradicting an inverse relationship between BG and amylose. This work will provide the basis for gene cloning and marker-assisted selection in combination with traditional field selection to improve barley breeding for high BG content.”
“The bonding and the temperature-driven metalation of 2H-tetraphenylporphyrin (2H-TPP) on the Cu(111) surface under ultrahigh vacuum

conditions were investigated by a combination of x-ray photoelectron buy CAL-101 spectroscopy (XPS) and near-edge x-ray absorption fine structure (NEXAFS) spectroscopy with density functional theory calculations. Thin films were prepared by organic molecular beam epitaxy and subsequent annealing. Our systematic study provides an understanding of the changes of the spectroscopic signature during adsorption and metalation. Specifically, we achieved a detailed peak assignment of the 2H-TPP multilayer data of the C1s and the N1s region. After annealing to 420 K both XPS and NEXAFS show the signatures of a metalloporphyrin, which indicates self-metalation at the porphyrin-substrate interface, resulting in Cu-TPP. Furthermore, for 2H-TPP monolayer samples we show how the Ferroptosis activation strong influence of the copper surface is reflected in the spectroscopic signatures. Adsorption results in a strongly deformed macrocycle and a quenching of the first NEXAFS resonance

in the nitrogen edge suggesting electron transfer into the LUMO. For Cu-TPP the spectroscopic data indicate a reduced interaction of first-layer molecules with the substrate as demonstrated by the relaxed macrocycle geometry. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3674165]“
“Full-dimensional quantum mechanical computations are carried out to investigate the photodissociation dynamics of (A) over tilde state NH(3) and ND(3) using the multiconfiguration time-dependent Hartree (MCTDH) method with recently developed coupled ab initio potential energy surfaces (PESs) [Z. H. Li, R. Valero, and D. G. Truhlar, Theor. Chim. Acc. 118, 9 (2007)]. To use the MCTDH method efficiently the PESs are represented as based on the high-dimensional model representation.