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https://www.readbyqxmd.com/read/28102672/coupled-cluster-studies-of-ionization-potentials-and-electron-affinities-of-single-walled-carbon-nanotubes
#1
Bo Peng, Niranjan Govind, Edoardo Aprà, Michael Klemm, Jeff R Hammond, Karol Kowalski
In this paper we apply the equation-of-motion coupled cluster (EOM-CC) methods in the studies of the vertical ionization potentials (IPs) and electron affinities (EAs) for a series of single walled carbon nanotubes (SWCNT). The EOM-CC formulations for IPs and EAs employing excitation manifolds spanned by single and double excitations (IP/EA-EOM-CCSD) are used to study the IPs and EAs of the SWCNTs as a func- tion of the nanotube length. Several armchair nanotubes corresponding to C20nH20 models with n = 2 - 6 have been used in benchmark calculations...
January 19, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28097647/microbiota-composition-and-pulmonary-surfactant-protein-expression-as-markers-of-death-by-drowning
#2
So-Yeon Lee, Seung-Kyun Woo, So-Min Lee, Eun-Ju Ha, Kyoung-Hee Lim, Kyung-Hwa Choi, Young-Hee Roh, Yong-Bin Eom
Pathological diagnosis of drowning remains a challenge for forensic science, because of a lack of pathognomonic findings. We analyzed microbiota and surfactant protein in the lungs for a novel diagnosis of drowning. All rats were divided into drowning, postmortem submersion, and control groups. The water, lungs, closed organs (kidney and liver), and cardiac blood in rats were assayed by targeting 16S ribosomal RNA of Miseq sequencing. Lung samples were analyzed by immunohistochemical staining for surfactant protein A...
January 18, 2017: Journal of Forensic Sciences
https://www.readbyqxmd.com/read/28097277/combining-the-spin-separated-exact-two-component-relativistic-hamiltonian-with-the-equation-of-motion-coupled-cluster-method-for-the-treatment-of-spin-orbit-splittings-of-light-and-heavy-elements
#3
Zhanli Cao, Zhendong Li, Fan Wang, Wenjian Liu
The spin-separated exact two-component (X2C) relativistic Hamiltonian [sf-X2C+so-DKHn, J. Chem. Phys., 2012, 137, 154114] is combined with the equation-of-motion coupled-cluster method with singles and doubles (EOM-CCSD) for the treatment of spin-orbit splittings of open-shell molecular systems. Scalar relativistic effects are treated to infinite order from the outset via the spin-free part of the X2C Hamiltonian (sf-X2C), whereas the spin-orbit couplings (SOC) are handled at the CC level via the first-order Douglas-Kroll-Hess (DKH) type of spin-orbit operator (so-DKH1)...
January 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28094991/polarization-mediated-modulation-of-electronic-and-transport-properties-of-hybrid-mos2-batio3-srruo3-tunnel-junctions
#4
Tao Li, Pankaj Sharma, Alexey Lipatov, Hyungwoo Lee, Jung-Woo Lee, Mikhail Y Zhuravlev, Tula R Paudel, Yuri A Genenko, Chang-Beom Eom, Evgeny Y Tsymbal, Alexander Sinitskii, Alexei Gruverman
Hybrid structures composed of ferroelectric thin films and functional two-dimensional (2D) materials may exhibit unique characteristics and reveal new phenomena due to the cross-interface coupling between their intrinsic properties. In this report, we demonstrate a symbiotic interplay between spontaneous polarization of the ultrathin BaTiO3 ferroelectric film and conductivity of the adjacent molybdenum disulfide (MoS2) layer, a 2D narrow-band semiconductor. Polarization-induced modulation of the electronic properties of MoS2 results in a giant tunneling electroresistance effect in the hybrid MoS2/BaTiO3/SrRuO3 ferroelectric tunnel junctions (FTJs) with an OFF/ON resistance ratio as high as 104 - a 50-fold increase in comparison with the same type of FTJs with metal electrodes...
January 17, 2017: Nano Letters
https://www.readbyqxmd.com/read/28093911/synthesis-of-multisubstituted-allenes-furans-and-pyrroles-via-tandem-palladium-catalyzed-substitution-and-cycloisomerization
#5
Taekyu Ryu, Dahan Eom, Seohyun Shin, Jeong-Yu Son, Phil Ho Lee
A palladium-catalyzed propargyl substitution reaction of propargyl acetates with indium organothiolates is developed for the synthesis of multisubstituted allenyl sulfides. This procedure can be applied to the synthesis of multisubstituted furans and pyrroles via tandem palladium-catalyzed propargyl substitution and cycloisomerization reaction in one pot.
January 17, 2017: Organic Letters
https://www.readbyqxmd.com/read/28089879/clinical-outcome-of-autologous-hematopoietic-cell-transplantation-hct-in-adult-patients-with-acute-myeloid-leukemia-who-may-benefit-from-autologous-hct
#6
Jae-Ho Yoon, Hee-Je Kim, Sung-Soo Park, Young-Woo Jeon, Sung-Eun Lee, Byung-Sik Cho, Ki-Seong Eom, Yoo-Jin Kim, Seok Lee, Chang-Ki Min, Seok-Goo Cho, Dong-Wook Kim, Jong-Wook Lee, Woo-Sung Min
The role of autologous (auto)-hematopoietic cell transplantation (HCT) for post-remission therapy of acute myeloid leukemia (AML) is yet to be elucidated. We retrospectively analyzed 240 patients treated with auto-HCT in first remission. All patients were treated with standard induction chemotherapy and CD34+ stem cells were collected at each cycle of consolidation. Stem cells were infused following TBI (1200cGy), cytarabine (9g/BSA), and melphalan (100mg/BSA). Estimated 5-year overall survival, disease free survival (DFS), cumulative incidence of relapse (CIR), and non-relapse mortality was 58...
January 12, 2017: Biology of Blood and Marrow Transplantation
https://www.readbyqxmd.com/read/28089441/prognostic-implications-of-monosomies-in-patients-with-multiple-myeloma
#7
Sang-Yong Shin, Hyeon-Seok Eom, Ji Yeon Sohn, Hyewon Lee, Boram Park, Jungnam Joo, Ja-Hyun Jang, Mi-Na Lee, Jung Kwon Kim, Sun-Young Kong
BACKGROUND: Cytogenetic analysis aides in risk stratification for patients with multiple myeloma (MM). Although several cytogenetic aberrations have been reported to be prognostic, less is known about the association between the presence of monosomies and prognosis. The present study evaluated the prevalence and prognostic implications of monosomies in patients with MM. MATERIALS AND METHODS: Karyotypes were determined using conventional cytogenetics and fluorescence in situ hybridization (FISH)...
December 26, 2016: Clinical Lymphoma, Myeloma & Leukemia
https://www.readbyqxmd.com/read/28077500/distinct-inflammatory-gene-expression-in-extraocular-muscle-and-fat-from-patients-with-graves-orbitopathy
#8
Ivana Lopes Romero-Kusabara, José Vital Filho, Nilza Maria Scalissi, Keli Cardoso Melo, Giovanni Demartino, Carlos Alberto Longui, Murilo Rezende Melo, Adriano Namo Cury
OBJECTIVE: This study sought to compare patients with thyroid eye disease (TED) and normal controls with respect to the expression of the GRα, IKK1, IκB, c-Fos (AP-1), NF-kB, and 11β-HSD1 genes in orbital fat (OF) and extraocular muscle (EOM). DESIGN AND METHODS: A prospective study design was used to evaluate 34 TED patients and 38 healthy controls. OF was harvested from 33 TED patients and 27 controls. EOM biopsies were obtained from 32 TED patients and 18 controls...
January 11, 2017: European Journal of Endocrinology
https://www.readbyqxmd.com/read/28065406/nipple-reconstruction-with-combination-of-modified-cv-flap-and-contralateral-nipple-composite-graft
#9
Young Chul Kim, Ji Young Yun, Hyung Chul Lee, Ji Hong Yim, Jin Sup Eom
BACKGROUND: Numerous nipple reconstruction methods have been proposed including the use of local flaps and composite grafts, but most methods have shown a significant loss of projection. We combined a modified CV flap with a composite graft (nipple sharing) to maximize the projection and volume of the new nipple and reduce the size of the contralateral nipple. METHODS: In total, 30 patients underwent nipple reconstruction using a combined method between January 2013 and November 2015...
December 14, 2016: Journal of Plastic, Reconstructive & Aesthetic Surgery: JPRAS
https://www.readbyqxmd.com/read/28059288/tunable-resolution-terahertz-dual-frequency-comb-spectrometer
#10
Francisco S Vieira, Flavio C Cruz, David F Plusquellic, Scott A Diddams
Terahertz dual frequency comb spectroscopy (THz-DFCS) yields high spectral resolution without compromising bandwidth. Nonetheless, the resolution of THz-DFCS is usually limited by the laser repetition rate, which is typically between 80 MHz and 1 GHz. In this paper, we demonstrate a new method to achieve sub-repetition rate resolution in THz-DFCS by adaptively modifying the effective laser repetition rate using integrated Mach-Zehnder electro-optic modulators (MZ-EOMs). Our results demonstrate that it is possible to improve the 100 MHz resolution of a terahertz frequency comb by at least 20x (down to 5 MHz) across the terahertz spectrum without compromising the average output power, and to a large extent, its bandwidth...
December 26, 2016: Optics Express
https://www.readbyqxmd.com/read/28057273/eomesodermin-at-dawn-of-cell-fate-decisions-during-early-embryogenesis
#11
S Probst, S J Arnold
Proteins of the large family of T-box transcription factors are implicated in a broad spectrum of developmental processes. Loss-of-function mutations of T-box(Tbx) factors frequently cause severe embryonic phenotypes, often resulting from defects in cell fate specification and lineage differentiation. This review summarizes current knowledge on the functions of the T-box transcription factor Eomesodermin (Eomes) from postfertilization development until gastrulation stages of vertebrate embryos. Eomes exhibits evolutionary conserved functions in cell lineage specification and morphogenesis during gastrulation in all studied vertebrate model systems...
2017: Current Topics in Developmental Biology
https://www.readbyqxmd.com/read/28057270/the-roles-of-t-box-genes-in-vertebrate-limb-development
#12
C J Sheeba, M P O Logan
Members of the T-box gene family have diverse roles during embryogenesis and many play critical roles in the developing limb. This is exemplified by the fact that, in humans, mutations in T-box genes are associated with several congenital syndromes that include limb defects as part of their characteristic spectrum of abnormalities. T-box genes encode for evolutionary conserved transcription factors that include both transcriptional activators and repressors. The hallmark of T-box gene members is the presence of the eponymous DNA-binding T-box domain...
2017: Current Topics in Developmental Biology
https://www.readbyqxmd.com/read/28057268/control-of-neuronal-development-by-t-box-genes-in-the-brain
#13
A B Mihalas, R F Hevner
T-box transcription factors play key roles in the regulation of developmental processes such as cell differentiation and migration. Mammals have 17 T-box genes, of which several regulate brain development. The Tbr1 subfamily of T-box genes is particularly important in development of the cerebral cortex, olfactory bulbs (OBs), and cerebellum. This subfamily is comprised of Tbr1, Tbr2 (also known as Eomes), and Tbx21. In developing cerebral cortex, Tbr2 and Tbr1 are expressed during successive stages of differentiation in the pyramidal neuron lineage, from Tbr2+ intermediate progenitors to Tbr1+ postmitotic glutamatergic neurons...
2017: Current Topics in Developmental Biology
https://www.readbyqxmd.com/read/28056144/in-vivo-three-dimensional-imaging-of-human-corneal-nerves-using-fourier-domain-optical-coherence-tomography
#14
Jun Geun Shin, Ho Sik Hwang, Tae Joong Eom, Byeong Ha Lee
No abstract text is available yet for this article.
January 1, 2017: Journal of Biomedical Optics
https://www.readbyqxmd.com/read/28054543/a-stable-lithiated-silicon-chalcogen-battery-via-synergetic-chemical-coupling-between-silicon-and-selenium
#15
KwangSup Eom, Jung Tae Lee, Martin Oschatz, Feixiang Wu, Stefan Kaskel, Gleb Yushin, Thomas F Fuller
Li-ion batteries dominate portable energy storage due to their exceptional power and energy characteristics. Yet, various consumer devices and electric vehicles demand higher specific energy and power with longer cycle life. Here we report a full-cell battery that contains a lithiated Si/graphene anode paired with a selenium disulfide (SeS2) cathode with high capacity and long-term stability. Selenium, which dissolves from the SeS2 cathode, was found to become a component of the anode solid electrolyte interphase (SEI), leading to a significant increase of the SEI conductivity and stability...
January 5, 2017: Nature Communications
https://www.readbyqxmd.com/read/28053814/a-concurrence-of-adenocarcinoma-with-micropapillary-features-and-composite-glandular-endocrine-cell-carcinoma-in-the-stomach
#16
Ji-Hoon Kim, Dae-Woon Eom, Cheon-Soo Park, Jae-Young Kwak, Eun-Hwa Park, Jin-Ho Kwak, Hyuk-Jae Jang, Kun-Moo Choi, Myung-Sik Han
We report a unique case of synchronous double primary gastric cancer consisting of adenocarcinoma components with micropapillary features and composite glandular-endocrine cell carcinoma components. The patient was a 53-year-old man presenting with a 6-month history of epigastric pain and diarrhea. A subtotal gastrectomy was performed. Histologically, one tumor was composed of micropapillary carcinoma components (50%) with tight clusters of micropapillary aggregates lying in the empty spaces, admixed with moderately differentiated adenocarcinoma components...
December 2016: Journal of Gastric Cancer
https://www.readbyqxmd.com/read/28052515/cytotoxic-triterpenoids-from-the-barks-of-betula-platyphylla-var-japonica
#17
Hee Jeong Eom, Hee Rae Kang, Sang Un Choi, Ki Hyun Kim
Phytochemical investigation on the barks of Betula platyphylla var. japonica (Betulaceae) was carried out, resulting in the isolation and identification of three new triterpenoids, 27-O-cis-caffeoylcylicodiscic acid (1), 27-O-cis-feruloylcylicodiscic acid (2), and 27-O-cis-caffeoylmyricerol (3), along with six known triterpenoids, obtusilinin (4), winchic acid (5), 27-O-trans-caffeoylcylicodiscic acid (6), uncarinic acid E (7), myriceric acid B (8), and 3-O-caffeoyloleanolic acid (9). The structures of the new compounds were elucidated by extensive spectroscopic methods, including 1D, 2D NMR, and HR-ESI-MS...
January 4, 2017: Chemistry & Biodiversity
https://www.readbyqxmd.com/read/28047493/su-f-t-625-optimal-treatment-planning-strategy-among-arc-arrangements-for-prostate-sbrt-with-vmat-technique
#18
J Chung, S Kang, T Suh, J Lee, J Kim, K Eom
PURPOSE: The purpose of this study is to determine the optimal treatment planning strategy among the different arc arrangements for prostate stereotactic body radiotherapy (SBRT) plans with volumetric modulated arc therapy (VMAT). METHODS: Ten patients with prostate cancer were selected. The SBRT-VMAT plans for each patient were generated with single-full (181° to 179°; 1FA), single-partial (240° to 120°; 1PA), double-full (181° to 179° and 179° to 181°; 2FA), and double-partial (240° to 120° and 120° to 240°; 2PA) arc arrangements...
June 2016: Medical Physics
https://www.readbyqxmd.com/read/28046921/su-f-t-545-dosimetric-and-radiobiological-evaluation-of-dose-calculation-algorithms-on-prostate-stereotactic-body-radiotherapy-using-conventional-flattened-and-flattening-filter-free-beam
#19
S Kang, J Chung, K Eom, J Lee, T Suh
PURPOSE: The purpose of this study is to evaluate the dosimetric and radiobiological impact of Acuros XB (AXB) and Anisotropic Analytic Algorithm (AAA) dose calculation algorithms on prostate stereotactic body radiation therapy plans with both conventional flattened (FF) and flattening-filter free (FFF) modes. METHODS: For thirteen patients with prostate cancer, SBRT planning was performed using 10-MV photon beam with FF and FFF modes. The total dose prescribed to the PTV was 42...
June 2016: Medical Physics
https://www.readbyqxmd.com/read/28046698/mo-fg-campus-iep1-02-dose-reduction-in-contrast-enhanced-digital-mammography-using-a-photon-counting-detector
#20
S Lee, S Kang, J Eom
PURPOSE: Photon-counting detectors (PCDs) allow multi-energy X-ray imaging without additional exposures and spectral overlap. This capability results in the improvement of accuracy of material decomposition for dual-energy X-ray imaging and the reduction of radiation dose. In this study, the PCD-based contrast-enhanced dual-energy mammography (CEDM) was compared with the conventional CDEM in terms of radiation dose, image quality and accuracy of material decomposition. METHODS: A dual-energy model was designed by using Beer-Lambert's law and rational inverse fitting function for decomposing materials from a polychromatic X-ray source...
June 2016: Medical Physics
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