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Essam Hammam, Jalal Basahi, Iqbal Ismail, Ibrahim Hassan, Talal Almeelbi
The excited state hydrogen bonding dynamics of BBVN in hydrogen donating methanol solvent was explored at the TD-BMK/cc-pVDZ level of theory with accounting for the bulk environment effects at the polarizable continuum model (PCM). The heteroatoms of the BBVN laser dye form hydrogen bonds with four methanol molecules. In the formed BBVN-(MeOH)4 complex, the A-type hydrogen bond (N…HO), of an average strength of 25kJmol(-1), is twofold stronger than the B-type (O…HO) one. Upon photon absorption, the total HB binding energy increases from 78...
October 17, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Laura Hermosilla, Marcos Caroli Rezende, Vanderlei Gageiro Machado, Rafaela I Stock
The cationic halochromism and thermohalochromism of four phenolate dyes conjugated with aryl moieties substituted with one or two nitro groups were investigated in the presence of organic (tetra-n-butylammonium bromide and benzyltriethylammonium chloride) and inorganic (sodium perchlorate) salts, in hydrogen-bond donating (water, 1-propanol, 1-butanol and 2-propanol) and hydrogen-bond accepting (acetonitrile and dimethylsulfoxide) solvents. Although a positive halochromic response was observed in water for tetraalkylammonium salts, their thermohalochromic behavior was negligible...
October 17, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
S Mittal, A Adamusiak, C Horsfield, I Loukopoulos, N Karydis, N Kessaris, M Drage, J Olsburgh, Cje Watson, C J Callaghan
BACKGROUND: A significant proportion of procured deceased donor kidneys are subsequently discarded. The UK Kidney Fast-Track Scheme (KFTS) was introduced in 2012, enabling kidneys at risk of discard to be simultaneously offered to participating centres. We undertook an analysis of discarded kidneys to determine if unnecessary organ discard was still occurring since the KFTS was introduced. METHODS: Between April and June 2015, senior surgeons independently inspected 31 consecutive discarded kidneys from throughout the UK...
October 25, 2016: Transplantation
Linda Boise, Ladson Hinton, Howard J Rosen, Mary C Ruhl, Hiroko Dodge, Nora Mattek, Marilyn Albert, Andrea Denny, Joshua D Grill, Travonia Hughes, Jennifer H Lingler, Darby Morhardt, Francine Parfitt, Susan Peterson-Hazan, Viorela Pop, Tara Rose, Raj C Shah
INTRODUCTION: Racial and ethnic groups are under-represented among research subjects who assent to brain donation in Alzheimer disease research studies. There has been little research on this important topic. Although there are some studies that have investigated the barriers to brain donation among African American study volunteers, there is no known research on the factors that influence whether or not Asians or Latinos are willing to donate their brains for research. METHODS: African American, Caucasian, Asian, and Latino research volunteers were surveyed at 15 Alzheimer Disease Centers to identify predictors of willingness to assent to brain donation...
October 24, 2016: Alzheimer Disease and Associated Disorders
Christina Bagwill, Christa Anderson, Elizabeth Sullivan, Varun Manohara, Prithvi Murthy, Charles C Kirkpatrick, Apryll M Stalcup, Michael Adam Lewis
A computational study aimed at accurately predicting the strength of the anion-π binding of substituted benzenes is presented. The anion-π binding energies (Ebind) of 37 substituted benzenes, and the parent benzene, with chloride or bromide were investigated at the MP2(full)/6-311++G** level of theory. In addition, energy decomposition analysis was performed on 27 selected chloride-arene complexes via Symmetry Adapted Perturbation Theory (SAPT), using the SAPT2+ approach. Initial efforts aimed to correlate the anion-π Ebind values with the sum of the Hammett constants σp (Σσp) or σm (Σσm), as done by others...
October 25, 2016: Journal of Physical Chemistry. A
Lisa Gallicchio, Carla Calhoun, David Riseberg, Kathy Helzlsouer
The purpose of this study was to compare the cardiovascular health of Black and White breast cancer patients undergoing adjuvant treatment. Baseline data from a cohort study of Black (n = 45) and White (n = 101) breast cancer patients initiating aromatase inhibitor treatment were analyzed. Participants had a cardiovascular health assessment, including carotid intimal medial thickness measurement, donated a blood sample, and completed a questionnaire. Atherosclerotic cardiovascular disease (ASCVD) event risk scores were calculated...
October 25, 2016: Breast Journal
Nitsch Jörn, Lando P Wolters, Celia Fonseca Guerra, F Matthias Bickelhaupt, Andreas Steffen
We aim to understand the electronic factors determining the stability and coordination number of d10 transition metal complexes bearing N-heterocyclic carbene (NHC) ligands, with a particular emphasis on higher coordinated species. In this DFT study on the formation and bonding of group 9-12 d10-[M(NHC)n] (n = 1-4) complexes, we found that all metals form very stable [M(NHC)2], but further coordination on the specific interplay of (i) the interaction energy (ΔEint) between the M(NHC)n-1 fragment and the incoming NHC ligand, and (ii) the strain energy ΔEstrain associated with bending the linear NHC-M-NHC arrangement...
October 25, 2016: Chemistry: a European Journal
Jia Loon Chong
Kidney transplantation is the preferred treatment for eligible end-stage renal disease patients. However, the supply of donated kidneys has been consistently insufficient to meet the transplantation requirements of the population. In this paper, I discuss the feasibility of several policy options that engage potential donors or key individuals in a Singapore context, including financial and non-financial incentives for deceased/living organ donors and their families, improving actualisation rates of both donation after brain death, donation after cardiac death through quality improvement programmes and remuneration schemes, and a media platform for directed organ donation...
October 2016: Singapore Medical Journal
C Y Cheung, M L Pong, S F Au Yeung, K F Chau
INTRODUCTION: The number of actual donors per million population is the most commonly used metric to measure organ donation rates worldwide. It is deemed inadequate, however, because it does not take into account the potential donor pool. The aim of this study was to determine the true potential for solid organ donation from deceased brain-dead donors and the reasons for non-donation from potential donors in the Chinese community. METHODS: Medical records of all hospital deaths between 1 January and 31 December 2014 at a large regional hospital in Hong Kong were reviewed...
October 24, 2016: Hong Kong Medical Journal, Xianggang Yi Xue za Zhi
Ryszard Grenda
Delayed graft function (DGF) is commonly defined as the requirement for dialysis within the first 7 days following renal transplantation. The major underlying mechanism is related to ischaemia/reperfusion injury, which includes microvascular inflammation and cell death and apoptosis, and to the regeneration processes. Several clinical factors related to donor, recipient and organ procurement/transplantation procedures may increase the risk of DGF, including donor cardiovascular instability, older donor age, donor creatinine concentration, long cold ischaemia time and marked body mass index of both the donor and recipient...
October 24, 2016: Pediatric Nephrology: Journal of the International Pediatric Nephrology Association
Huan Wang, Mayue Shi, Kai Zhu, Zongming Su, Xiaoliang Cheng, Yu Song, Xuexian Chen, Zhiqiang Liao, Min Zhang, Haixia Zhang
As the essential element of a triboelectric nanogenerator (TENG), friction layers play key roles that determine the device performance, which can be enhanced by material selection and surface modification. In this work, we have embedded aligned carbon nanotubes (CNTs) on the polydimethylsiloxane (PDMS) surface as the effective dielectric layer to donate electrons. This layer not only increases the electron generation for the output, but also shows notable stretchability. The length and the properties of the aligned CNTs can be controlled precisely...
October 25, 2016: Nanoscale
Mariete B Moreira, Camila F N Da Silva, Rafaela B P Pesci, Victor M Deflon, Sofia Nikolaou
We synthesized and characterized a series of oxo-centered carbonyl-triruthenium complexes with the general formula [Ru3O(CH3COO)6(L)2(CO)], where L = 2,6-dimethylpyrazine (dmpz) (1), isonicotinamide (adpy) (2), 4-acetylpyridine (acpy) (3), 3-methylpyridine (3-pic) (4), 4-methylpyridine (4-pic) (5), 4-tert-butylpyridine (4-tbpy) (6), 4-(dimethyl)aminopyridine (dmap) (7), or 4-aminopyridine (ampy) (8); we also investigated the photoreactivity of these complexes. Single-crystal X-ray diffraction helped to elucidate the structures of 1·H2O, 7·C2H4Cl2, and 8...
October 25, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Kun Zhong, Wei Wang, Chuanbao Zhang, Falin He, Shuai Yuan, Zhiguo Wang
BACKGROUND: Clinical laboratory tests are important for clinicians to make diagnostic decisions, but discrepancies may directly lead to incorrect diagnosis. We would like to introduce some statistical methods to evaluate the comparability of chemistry analytes while comparing the performances of different measurement systems. METHODS: We used a panel of 10 fresh-frozen single donation serum samples to assess assays for the measurement of glucose and other 13 analytes...
2016: SpringerPlus
Yusif Abdullayev, Vagif Abbasov, Lucas C Ducati, Avtandil Talybov, Jochen Autschbach
The mechanisms of a tetrasubstituted imidazole [2-(2,4,5-triphenyl-1 H-imidazol-1-yl)ethan-1-ol] synthesis from benzil, benzaldehyde, ammonium acetate, and ethanolamine in [Et2NH2][HSO4] ionic liquid (IL) are studied computationally. The effects of the presence of the cationic and anionic components of the IL on transition states and intermediate structures, acting as a solvent versus as a catalyst, are determined. In IL-free medium, carbonyl hydroxylation when using a nucleophile (ammonia) proceeds with a Gibbs free energy (ΔG(≠)) barrier of 49...
October 2016: ChemistryOpen
Kirara Yamaguchi, Toshiaki Murai, Jing-Dong Guo, Takahiro Sasamori, Norihiro Tokitoh
The front cover artwork is provided by the group of Toshiaki Murai at Gifu University (Japan). The image shows structures of the key compounds and the change of the fluorescence. Although electron-donating and -accepting groups are not in the same plane, they show relatively strong fluorescence from blue to orange. For more details, read the full text of the Communication at 10.1002/open.201600059.
October 2016: ChemistryOpen
Kirara Yamaguchi, Toshiaki Murai, Jing-Dong Guo, Takahiro Sasamori, Norihiro Tokitoh
The Front Cover picture shows structures of the key compounds and the change in the fluorescence. Although electron-donating and -accepting groups of monocyclic 5-N,N-diarylaminothiazoles are not in the same plane but highly deviated, they show relatively strong fluorescence from blue to orange. In particular, the addition of Brønsted and Lewis acids to 5-N,N-diaryl-2-(4-pyridyl)thiazoles shifts the absorption and emission to longer wavelengths. The thiazoles and acids form 1:1 complexes. Fine tuning of the amount of added B(C6F5)3 enables us to provide a white-light emission with a single fluorescent molecule...
October 2016: ChemistryOpen
K A Hollowed, T E Travis, M H Jordan, J W Shupp
Education of first responders and referring medical professionals is considered vital to high-quality burn care. Prior to 1999, the community education program at The Burn Center of MedStar Washington Hospital Center (MWHC) was staffed by ICU nurses who volunteered their time. As the program became more popular in the mid-1990s, the requests for lectures exceeded the capacity of a volunteer program. A request to hospital administration for a full-time education coordinator position was rejected in the climate of budget cut-backs and declining reimbursement...
December 31, 2015: Annals of Burns and Fire Disasters
Patrick Antonietti, Benedikt Linder, Stephanie Hehlgans, Iris C Mildenberger, Michael C Burger, Simone Fulda, Joachim P Steinbach, Florian Gessler, Franz Rodel, Michel Mittelbronn, Donat Kogel
Malignant gliomas exhibit a high intrinsic resistance against stimuli triggering apoptotic cell death. HSF1 (heat shock factor 1) acts as transcription factor upstream of HSP70 and the HSP70 co-chaperone BAG3 that is overexpressed in glioblastoma. To specifically target this resistance mechanism, we applied the selective HSF1 inhibitor KRIBB11 and the HSP70/BAG3 interaction inhibitor YM-1 in combination with the pan-Bcl-2 inhibitor AT-101. Here we demonstrate that lentiviral BAG3 silencing significantly enhances AT-101-induced cell death and reactivates effector caspase-mediated apoptosis in U251 glioma cells with high BAG3 expression, while these sensitizing effects were less pronounced in U343 cells expressing lower BAG3 levels...
October 24, 2016: Molecular Cancer Therapeutics
Yosep Chong, Minyoung Kim, Eun Sil Koh, Seok Joon Shin, Ho-Shik Kim, Sungjin Chung
BACKGROUND: Fabry disease is a rare X-linked lysosomal storage disorder caused by α-galactosidase A deficiency. With the advancement of molecular diagnostic tools, more disease-causing mutations in α-galactosidase A (GLA) have been identified in Fabry disease. We found a novel mutation in a Korean family with predominant renal manifestations of the disease. CASE PRESENTATION: A 24-year-old man who wanted to donate a kidney to his 28-year-old brother with end-stage renal disease of unknown cause was evaluated...
October 24, 2016: BMC Medical Genetics
Simon R Knight, Leanne Metcalfe, Katriona O'Donoghue, Simon T Ball, Angela Beale, William Beale, Rachel Hilton, Keith Hodkinson, Graham W Lipkin, Fiona Loud, Lorna P Marson, Peter J Morris
BACKGROUND: It has been suggested that the research priorities of those funding and performing research in transplantation may differ from those of end service users such as patients, carers and healthcare professionals involved in day-to-day care. The Kidney Transplant Priority Setting Partnership (PSP) was established with the aim of involving all stakeholders in prioritising future research in the field. METHODS: The PSP methodology is as outlined by the James Lind Alliance...
2016: PloS One
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