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Vengayil K Harikrishnan, Sabeel M Basheer, Nithin Joseph, Anandaram Sreekanth
The sensing mechanism of salicylaldehyde phenyldithiosemicarbazone (SDTSC) chemosensor has been investigated by spectroscopic and TD-DFT methods. The SDTSC shows colourimetric and spectral changes towards fluoride, cyanide and copper ions. The interaction between SDTSC with fluoride, cyanide and copper ions was examined through their absorption and fluorescence behaviour, and found that SDTSC has more sensing ability towards Cu(2+) ion than CN(-) and F(-) ions. The (1)H NMR titration with SDTSC and F(-) gives the structural changes in the sensing process...
April 12, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Himanshu Arora, Nabil Khzam, David Roberts, William L Bruce, Saso Ivanovski
BACKGROUND: Immediate implant placement followed by an immediate restoration has proven to be a viable technique in the anterior maxillary region. PURPOSE: This prospective study evaluated the mid-long term (2-5 years) tissue changes around immediately placed and restored implants in the anterior maxilla using flapless surgery and simultaneous hard tissue augmentation. MATERIALS AND METHODS: Thirty AstraTech implants were immediately placed in 30 patients, followed by the delivery of an immediate provisional restoration on the same day...
April 21, 2017: Clinical Implant Dentistry and related Research
Zhiqiang Liu, Jacob S A Ishibashi, Clovis Darrigan, Alain Dargelos, Anna Chrostowska, Bo Li, Monica Vasiliu, David A Dixon, Shih-Yuan Liu
The least stable isomer of the parental BN naphthalene series has been synthesized in a simple four-step sequence. Its experimental electronic structure characterization via UV-PES, cyclic voltammetry, and UV-Vis spectroscopy in direct comparison with three other known BN naphthalene isomers has established two guiding principles for predicting the electronic structures of BN acene compounds: 1) Orientational BN isomers have similar HOMO-LUMO gaps. 2) For each pair of orientational BN isomers, the more thermodynamically stable compound has the lower HOMO energy...
April 19, 2017: Journal of the American Chemical Society
Guo Dong Chen, Jingwei Weng, Guoliang Song, Zhen Hua Li
Many-body expansion (MBE) method is the basis of many fragment-based methods and is wildly applied to the computation of large molecular systems. In order to reach linear-scaling computation, a cutoff must be used to discard those subsystems with long inter-fragment distances. However, this leads to discontinuous potential energy surface (PES) that would cause various problems in geometry optimizations and molecular dynamics simulations. To solve this problem, we present a generalized-switch-function (GSF) approach to smooth the PES computed by the MBE method with the use of cutoff distance...
April 19, 2017: Journal of Chemical Theory and Computation
Sarina R Isenberg, Chunhua Lu, John McQuade, Rab Razzak, Brian W Weir, Natasha Gill, Thomas J Smith, David R Holtgrave
PURPOSE: Establish costs of an inpatient palliative care unit (PCU) and conduct a threshold analysis to estimate the maximum possible costs for the PCU to be considered cost effective. METHODS: We used a hospital perspective to determine costs on the basis of claims from administrative data from Johns Hopkins PCU between March 2013 and March 2014. Using existing literature, we estimated the number of quality-adjusted life years (QALYs) that the PCU could generate...
April 18, 2017: Journal of Oncology Practice
Elif Tümay Özer, Bilgen Osman, Tuğçe Yazıcı
The aim of this study was to investigate the usability of newly synthesized dummy molecularly imprinted microbeads (DMIMs) as a solid phase extraction (SPE) material to determine six phthalate esters (PEs) in water by GC-MS analysis. Diethyl phthalate (DEP) was used as a dummy template to prepare poly(ethylene glycol dimethacrylate N-methacryloyl-l-tryptophan methyl ester) [PEMATrp)] DMIMs by using suspension polymerization. The PEMATrp DMIMs were characterized by using Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM)...
April 9, 2017: Journal of Chromatography. A
Masaki Goto, Yuya Aoki, Nobutake Tamai, Hitoshi Matsuki
The phase transitions of N-methylated di-O-hexadecylphosphatidylethanolamines (DHPE, DH-N-methyl-PE (DHMePE) and DH-N,N-dimethyl-PE (DHMe2PE)) were observed by differential scanning calorimetry (DSC) and fluorometry under atmospheric pressure and by light-transmittance measurements under high pressure. The DSC thermograms showed that the N-methylated DHPE bilayers underwent the phase transition from the gel phase to the liquid crystalline (Lα) phase under atmospheric pressure. The gel phase was identified by fluorometry as the lamellar gel (Lβ) phase, and not interdigitated gel (LβI) phase...
March 30, 2017: Biophysical Chemistry
Shunlong Pan, Jiansheng Li, Owen Noonan, Xiaofeng Fang, Gaojie Wan, Chengzhong Yu, Lianjun Wang
Simultaneous removal of multiple pollutants from aqueous solution with less energy consumption is crucial in water purification. Here, a novel concept of dual-functional ultrafiltration (DFUF) membrane is demonstrated by entrapment of nano-structured adsorbents into the finger-like pores of ultrafiltration (UF) membrane rather than in the membrane matrix in previous reports of blend membranes, resulting in an exceptionally high active content and simultaneous removal of multiple pollutants from water due to the dual functions of rejection and adsorption...
April 13, 2017: Environmental Science & Technology
Elena I Sinauridze, Alexander S Gorbatenko, Elena A Seregina, Elena N Lipets, Fazoil I Ataullakhanov
Artificial plasma expanders (PEs) are widely used in modern transfusion medicine. PEs do not contain components of the coagulation system, so their infusion in large volumes causes haemodilution and affects haemostasis. However, the existing information on this effect is contradictory. We studied the effect of the very process of plasma dilution on coagulation and tested the hypothesis that moderate dilution with a PE should accelerate clotting owing to a decrease in concentration of coagulation inhibitors...
April 12, 2017: Scientific Reports
Tosaporn Sattasathuchana, Riccardo Murri, Kim K Baldridge
The implementation, optimization, and performance of a generalized analytic treatment of multidimensional Franck-Condon Factors (FCF) within the harmonic oscillator approximation and associated photoelectron spectra (PES) for N-dimensional systems, including consideration of Eckart conditions in the displacement minimization and Cartesian coordinate handedness for evaluation of the Duschinsky Effect, is carried out in this work. A new efficient strategy for algorithmic efficiency for high dimensional systems is introduced, and demonstrated for 3-, 15-, and 30-dimensional systems...
April 12, 2017: Journal of Chemical Theory and Computation
Emanuel Hupf, Marian Olaru, Ciprian I Rat, Christian B Hübschle, Enno Lork, Simon Grabowsky, Stefan Mebs, Jens Beckmann
The nucleophilic substitution reaction of second order (SN2) at a silicon atom is scrutinized using snapshots along a pseudo-reaction coordinate. Phosphine and fluoride represent both attacking and leaving groups in the modeled SN2 reaction. In the experimentally obtained 5-Ph2P-Ace-6-SiMe2F (1) the phosphine moiety and the fluorosilane moiety are forced into immediate proximity through an acenaphthyl scaffold, i.e. they exhibit peri-interactions that serve as the model of the reactant ion-molecule complex and starting point for a theoretical PES scan...
April 10, 2017: Chemistry: a European Journal
Ryoki Sasaki, Shinichi Kotan, Masaki Nakagawa, Shota Miyaguchi, Sho Kojima, Kei Saito, Yasuto Inukai, Hideaki Onishi
Modulation of cortical excitability by sensory inputs is a critical component of sensorimotor integration. Sensory afferents, including muscle and joint afferents, to somatosensory cortex (S1) modulate primary motor cortex (M1) excitability, but the effects of muscle and joint afferents specifically activated by muscle contraction are unknown. We compared motor evoked potentials (MEPs) following median nerve stimulation (MNS) above and below the contraction threshold based on the persistence of M-waves. Peripheral nerve electrical stimulation (PES) conditions, including right MNS at the wrist at 110% motor threshold (MT; 110% MNS condition), right MNS at the index finger (sensory digit nerve stimulation [DNS]) with stimulus intensity approximately 110% MNS (DNS condition), and right MNS at the wrist at 90% MT (90% MNS condition) were applied...
2017: Frontiers in Human Neuroscience
Liyakat Hamid Mujawar, Muhammad Imtiaz Rashid, Zulfiqar Ahmad Rehan, Talal Almeelbi, Jalal Mohammad Basahi, Mohammad Soror El-Shahawi
An optical assay for the rapid determination and chemical speciation of Fe(2+)/Fe(3+) species has been proposed for the first time on a polyether sulfone (PES) membrane platform. The small pore size and low wettability (θ ∼82°) of the membrane disallowed the dissipation of analyte droplets on the surface, thus localizing it onto nanoliter arrayed 1,10-phenanthroline spots. Under optimized conditions and within ∼5 min, an acceptable limit of detection (0.1 μg mL(-1)) and linear dynamic range (1 - 100 μg mL(-1)) were achieved...
2017: Analytical Sciences: the International Journal of the Japan Society for Analytical Chemistry
Judith Esi van der Zwan, Wieke de Vente, Hans M Koot, Anja C Huizink
The Pregnancy Experience Scale - Brief version (PES-Brief) assesses the frequency and intensity of the hassles and uplifts of pregnancy. This study aimed to assess the psychometric properties of the Dutch PES-Brief-Beleving van Zwangerschap Schaal - verkorte versie (BZS-K)-in a sample of healthy Dutch pregnant women. Participants (n=115) completed questionnaires twice during pregnancy, within a three-week interval. Factor analyses resulted in the expected two factors, one positive and one negative. The BZS-K showed sufficient internal consistency (α=...
March 29, 2017: Midwifery
Sirikarn P Arunyanak, Adrien Pollini, Athanasios Ntounis, Dean Morton
STATEMENT OF PROBLEM: Esthetic outcomes associated with implant dentistry are important to both clinicians and patients. However, esthetic satisfaction may vary between the 2 groups. In order to evaluate the current publications relating to this topic, the following focused question was developed, "what are the quantitative and qualitative differences between clinician evaluations and patient perspectives in the assessment of single-tooth implant outcomes in the esthetic zone?" PURPOSE: The purpose of this systematic review was to identify differences in esthetic satisfaction between clinicians and patients when evaluating single-tooth implant-supported restorations...
April 3, 2017: Journal of Prosthetic Dentistry
Karen M Kruger, Katherine A Konop, Joseph J Krzak, Adam Graf, Haluk Altiok, Peter A Smith, Gerald F Harris
Pes planovalgus (flatfoot) is a common deformity among children with cerebral palsy. The Milwaukee Foot Model (MFM), a multi-segmental kinematic foot model, which uses radiography to align the underlying bony anatomy with reflective surface markers, was used to evaluate 20 pediatric participants (30feet) with planovalgus secondary to cerebral palsy prior to surgery. Three-dimensional kinematics of the tibia, hindfoot, forefoot, and hallux segments are reported and compared to an age-matched control set of typically-developing children...
March 23, 2017: Gait & Posture
Yoko Takahashi, Toshiyuki Fujiwara, Tomofumi Yamaguchi, Michiyuki Kawakami, Katsuhiro Mizuno, Meigen Liu
The aim of this study was to examine the effects of voluntary contraction (VC) on the modulation of reciprocal inhibition induced by patterned electrical stimulation (PES) in healthy individuals. Twelve healthy volunteers participated in this study. PES was applied to the common peroneal nerve with a train of 10 pulses at 100 Hz every 2 s for 20 min. VC comprised repetitive ankle dorsiflexion at a frequency of 0.5 Hz for 20 min. All participants performed the following three tasks: (i) VC alone, (ii) PES alone, and (iii) PES combined with VC (PES+VC)...
April 5, 2017: Neuroreport
David Alfonso Suárez-Zamora, Luis Eduardo Barrera-Herrera, Paula Andrea Rodríguez-Urrego, Mauricio Alfonso Palau-Lázaro
Epithelioid sarcoma is a rare malignant mesenchymal neoplasm (less than 1% of all sarcomas) with epithelioid morphology. Among the 2 subtypes, proximal represents only one-third of cases and commonly involves deep tissues of pelvic region, including the perineum, genital area, and groin, and occurs more frequently in older patients who present a more aggressive course. In the female genital tract, proximal-type epithelioid sarcoma (PES) mainly affects the vulva and is extremely uncommon in the uterus. To our knowledge, only a few cases of PES involving the cervix and uterine body have been previously reported in the literature...
February 1, 2017: International Journal of Surgical Pathology
Amber B Amspoker, Gayle Hersch, A Lynn Snow, Nancy Wilson, Robert O Morgan, Shubhada Sansgiry, Mark E Kunik
Alzheimer's disease and other dementias are often associated with a gradual loss of the ability to participate in rewarding activities. Caregivers may struggle with spending quality time with the person with dementia (PWD) when the demands of caregiving dominate. However, the importance of activity participation among PWDs is internationally recognized. The Pleasant Events Schedule-Alzheimer's Disease (PES-AD) Short Form measures frequency of engagement in pleasant events. It has been used to assess overall frequency of engagement in 20 activities...
February 1, 2017: Journal of Applied Gerontology: the Official Journal of the Southern Gerontological Society
Symone A McKinnon, Kyaien O Conner, Rosalyn Roker, Chris J Ward, Charlotte Brown
Innovative strategies are needed to reduce the impact of stigma as a barrier to mental health services for older adults living with a mental illness. The purpose of this brief report was to examine the impact of a 3-month peer educator (PE) intervention on stigma reduction in a sample of depressed older adults. PEs are individuals of similar age, and racial and socioeconomic backgrounds who have been previously treated for depression, and are trained to provide support and education to depressed individuals within their community...
January 1, 2017: Journal of Applied Gerontology: the Official Journal of the Southern Gerontological Society
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