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https://www.readbyqxmd.com/read/28431205/cyclization-of-ynamide-tethered-1-3-8-triynes
#1
Venkata R Sabbasani, Hyunjin Lee, Peipei Xie, Yuanzhi Xia, Daesung Lee
A facile thermal cyclization of ynamide-tethered 1,3,8-triynes to form 3,5,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine skeleton is described. Although the mechanism of this unusual reaction is yet to be defined the formation of either a strained keteniminium or a biradical intermediate followed a 1,5-hydride or -hydrogen shift is tentatively proposed as the key elementary steps in the reaction sequence. Appropriate electronic activation at the carbon center donating a hydride or hydrogen is crucial for successful cyclization...
April 21, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28428140/automated-annotation-and-classification-of-bi-rads-assessment-from-radiology-reports
#2
Sergio M Castro, Eugene Tseytlin, Olga Medvedeva, Kevin Mitchell, Shyam Visweswaran, Tanja Bekhuis, Rebecca S Jacobson
The Breast Imaging Reporting and Data System (BI-RADS) was developed to reduce variation in the descriptions of findings. Manual analysis of breast radiology report data is challenging but is necessary for clinical and healthcare quality assurance activities. The objective of this study is to develop a natural language processing (NLP) system for automated BI-RADS categories extraction from breast radiology reports. We evaluated an existing rule-based NLP algorithm, and then we developed and evaluated our own method using a supervised machine learning approach...
April 17, 2017: Journal of Biomedical Informatics
https://www.readbyqxmd.com/read/28425509/a-macrocyclic-co-0-complex-the-relevance-of-ligand-non-innocence-to-reactivity
#3
Manuel Kaspar, Philipp J Altmann, Alexander Pöthig, Stephen Sproules, Corinna R Hess
We present a formally zero-valent compound, [Co(Mabiq)Na(OEt2)]2 (1). The complex was characterized by crystallographic, spectroscopic and DFT computational methods. The electronic structure is described as a Co(II)-(ligand-biradical). Compound 1 is reactive toward proton sources; Co(I) or Co(II) products result, depending on the source of protons used. The redox non-innocence of the Mabiq ligand, which accepts both protons and electrons, has important ramifications for reactivity.
April 20, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28351284/impact-of-breast-cancer-awareness-month-on-detection-of-breast-cancer-in-a-private-hospital
#4
Onder Karabay, Mustafa Hasbahceci, Huseyin Kadioglu
Objective Breast cancer awareness month increases public awareness in association with increased rates of screening and new diagnoses. This study aimed to evaluate the effect of breast cancer awareness month on primary diagnosis of breast cancer. Methods Asymptomatic women with the intention of breast cancer screening were included. The non-BCAM (Breast cancer awareness month) group were screened from February to September 2016 and the BCAM group during October 2016. Ultrasound and mammography were performed in all women and in those aged ≥ 40 years, respectively...
January 1, 2017: Journal of International Medical Research
https://www.readbyqxmd.com/read/28332058/bilateral-axillo-breast-approach-robotic-thyroidectomy-baba-rt-does-not-interfere-with-breast-image-follow-up
#5
Hyeong Won Yu, Young Jun Chai, Hyungju Kwon, Su-Jin Kim, June Young Choi, Kyu Eun Lee
BACKGROUND: Bilateral axillo-breast approach robotic thyroidectomy (BABA RT) is frequently performed and has excellent cosmetic results. However, there has been concern that subcutaneous tunneling in construction of the operation field might interfere with subsequent breast imaging. In this study, we evaluated whether BABA RT interferes with breast imaging by evaluating serial perioperative results of mammography and ultrasonography. METHODS: We selected female patients who underwent BABA RT between 2008 and 2012, and who also had mammography or ultrasonography pre- and postoperatively, and compared the results of pre- and postoperative imaging...
March 22, 2017: World Journal of Surgery
https://www.readbyqxmd.com/read/28317054/theoretically-derived-mechanisms-of-hpald-photolysis-in-isoprene-oxidation
#6
Zhen Liu, Vinh Son Nguyen, Jeremy Harvey, Jean-François Müller, Jozef Peeters
In this work we identified and theoretically quantified two photolysis mechanisms of HPALDs (hydroperoxy aldehydes) that result from the isomerization of peroxy radicals in the atmospheric oxidation of isoprene at low/moderate NOx. As a first photolysis mechanism, we show that a fraction of the initially excited S1-state HPALDs isomerizes by a near-barrierless 1,5 H-shift at a rate approaching 10(12) s(-1) - competing with the ∼equally fast intersystem crossing to the T2 triplet state - forming an unstable biradical that spontaneously expels an OH (hydroxyl) radical...
March 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28304028/nmr-signal-enhancement-of-50%C3%A2-000-times-in-fast-dissolution-dynamic-nuclear-polarization
#7
L F Pinto, I Marín-Montesinos, V Lloveras, J L Muñoz-Gómez, M Pons, J Veciana, J Vidal-Gancedo
Herein, we report the synthesis and the study of a novel mixed biradical with BDPA and TEMPO radical units that are covalently bound by an ester group (BDPAesterTEMPO) as a polarizing agent for fast dissolution DNP. The biradical exhibits an extremely high DNP NMR enhancement of >50 000 times, which constitutes one of the largest signal enhancements observed so far, to the best of our knowledge.
March 17, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28279887/evaluation-of-percutaneous-vacuum-assisted-intact-specimen-breast-biopsy-device-for-ultrasound-visualized-breast-lesions-upstage-rates-and-long-term-follow-up-for-high-risk-lesions-and-dcis
#8
Cathy L Graham
OBJECTIVE: Percutaneous core biopsy of ultrasound visualized breast lesions is standard for diagnosis. Large gauge vacuum-assisted core needles have improved accuracy; but a significant underestimation of malignancy remains. The Intact(R) device was assessed for upstaging and subsequent malignancy at the biopsy site. METHODS: 469 consecutive ultrasound visualized breast lesions, < 2.0 cm in size, BIRADS 4 or 5, biopsied with Intact(R) Breast Lesion Excision System, between July 2007 and August 2014, were reviewed...
March 6, 2017: Breast: Official Journal of the European Society of Mastology
https://www.readbyqxmd.com/read/28271882/rate-tunable-stepwise-two-photon-gated-photoresponsive-systems-employing-a-synergetic-interaction-between-transient-biradical-units
#9
Katsuya Mutoh, Yoichi Kobayashi, Takuya Yamane, Takahiro Ikezawa, Jiro Abe
The cooperative interaction between photons and molecules, recently termed as the "photosynergetic" effect, is crucial to develop advanced photofunctional materials beyond a one-photon reaction of a single chromophore. The two-photon absorption is one of the attractive processes for the efficient utilization of photons. Especially, the nonlinear response of the two-photon absorption process is of interest not only to realize temporal and spatial control of reactions but also to develop the rewritable optical memory media and smart optical devices responding to the intensity of light...
March 17, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28270153/audit-of-mammography-requests-in-abakaliki-south-east-nigeria
#10
U E Eni, K C Ekwedigwe, I Sunday-Adeoye, Abc Daniyan, M E Isikhuemen
BACKGROUND: Breast cancer is the leading cancer in women in both developed and developing countries. Screening mammography detects breast cancer even before a lump can be palpated, with better prognosis. The introduction of mammographic technique for screening breast cancer, despite its importance, has been slow to adopt and virtually non-existent in many parts of Sub-Saharan Africa including Nigeria. For this reason, the indications of mammography have not been well defined in our setting...
March 7, 2017: World Journal of Surgical Oncology
https://www.readbyqxmd.com/read/28248502/high-temperature-and-high-pressure-pyrolysis-of-hexadecane-molecular-dynamic-simulation-based-on-reactive-force-field-reaxff
#11
Zhuojun Chen, Weizhen Sun, Ling Zhao
As important products of heavy oil pyrolysis, heavier components such as gasoline and diesel supply the vast majority of energy demand through combustion, and lighter components such as ethylene and propylene are the main sources of industrial chemicals and plastic products. In this work, pyrolysis of hexadecane, as the model compound, was studied by reactive force field (ReaxFF) molecular simulation at high temperatures and high pressures. It was confirmed by unimolecular simulations that there exist eight different initial mechanisms all starting with C-C bond dissociation...
March 7, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28224790/ph-dependent-photodeprotection-of-formaldehyde-homolytic-c-c-scission-in-acidic-aqueous-solution-versus-heterolytic-c-c-scission-in-basic-aqueous-solution
#12
Mingyue Liu, Wenjian Tang, Ming-De Li, David Lee Phillips
The photodeprotection of formaldehyde was investigated for 3-(1-hydroxypropan-2-yl)benzophenone (3-HPBP) with ultrafast time-resolved spectroscopy. The femtosecond transient absorption results indicated the singlet excited state of 3-HPBP transformed efficiently into its triplet state by a fast intersystem crossing. In acidic (pH = 0) and basic (pH = 12.5) aqueous solutions, the triplet intermediate was a key precursor for the deprotection of formaldehyde via two different pathways. However, little photodeprotection was observed in neutral (pH = 7) aqueous solution where the triplet intermediate appeared to undergo a proton coupled electron transfer process to form a ketyl radical transient...
March 10, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28220929/increasing-the-efficiency-on-producing-radiology-reports-for-breast-cancer-diagnosis-by-means-of-structured-reports-a-comparative-study
#13
J Damian Segrelles, Rosana Medina, Ignacio Blanquer, Luis Martí-Bonmatí
BACKGROUND: Radiology reports are commonly written on free-text using voice recognition devices. Structured reports (SR) have a high potential but they are usually considered more difficult to fill-in so their adoption in clinical practice leads to a lower efficiency. However, some studies have demonstrated that in some cases, producing SRs may require shorter time than plain-text ones. This work focuses on the definition and demonstration of a methodology to evaluate the productivity of software tools for producing radiology reports...
February 21, 2017: Methods of Information in Medicine
https://www.readbyqxmd.com/read/28217652/is-there-any-correlation-between-magnetic-resonance-imaging-features-of-breast-lesions-of-birads-category-4-with-histopathologic-results
#14
Maryam Farghadani, Ghazale Jamalipoor Soofi, Amir Hossein Sarrami
BACKGROUND: To evaluate the correlation of magnetic resonance imaging (MRI) features of breast lesions of Breast Imaging Reporting and Database System (BI-RADS) category 4 with histopathologic results. MATERIALS AND METHODS: In a prospective study between December 2013 and April 2015, patients with suspicious mammographic and/or ultrasound findings referred for Breast MRI were evaluated. Patients with lesions of BI-RADS category 4 were enrolled with a written informed consent...
2017: Advanced Biomedical Research
https://www.readbyqxmd.com/read/28214227/automated-breast-density-computation-in-digital-mammography-and-digital-breast-tomosynthesis-influence-on-mean-glandular-dose-and-birads-density-categorization
#15
Maria Castillo-García, Margarita Chevalier, Julia Garayoa, Alejandro Rodriguez-Ruiz, Diego García-Pinto, Julio Valverde
RATIONALE AND OBJECTIVES: The study aimed to compare the breast density estimates from two algorithms on full-field digital mammography (FFDM) and digital breast tomosynthesis (DBT) and to analyze the clinical implications. MATERIALS AND METHODS: We selected 561 FFDM and DBT examinations from patients without breast pathologies. Two versions of a commercial software (Quantra 2D and Quantra 3D) calculated the volumetric breast density automatically in FFDM and DBT, respectively...
February 14, 2017: Academic Radiology
https://www.readbyqxmd.com/read/28207235/explorations-of-the-indenofluorenes-and-expanded-quinoidal-analogues
#16
Conerd K Frederickson, Bradley D Rose, Michael M Haley
Highly conjugated hydrocarbons have attracted interest for use as active materials in electronic devices such as organic field effect transistors (OFET) and organic photovoltaics (OPV). In this Account, we review our progress in synthesizing and studying a new class of small molecules for potential use as organic semiconductors. The idea originated from prior research on octadehydrodibenz[12]annulene, as the system can undergo double transannular cyclization to yield the indeno[1,2-b]fluorene skeleton. Subsequent functionalization afforded the first stable, well-characterized indeno[1,2-b]fluorene derivatives, albeit in minute quantities (tens of milligrams)...
February 16, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28198127/a-stable-saddle-shaped-polycyclic-hydrocarbon-with-an-open-shell-singlet-ground-state
#17
Ji Ma, Junzhi Liu, Martin Baumgarten, Yubin Fu, Yuan-Zhi Tan, Karl Sebastian Schellhammer, Frank Ortmann, Gianaurelio Cuniberti, Hartmut Komber, Reinhard Berger, Klaus Müllen, Xinliang Feng
Diindeno-fused bischrysene, a new diindeno-based polycyclic hydrocarbon (PH), was synthesized and characterized. It was elucidated in detailed experimental and theoretical studies that this cyclopenta-fused PH possesses an open-shell singlet biradical structure in the ground state and exhibits high stability under ambient conditions (t1/2 =39 days). The crystal structure unambiguously shows a novel saddle-shaped π-conjugated carbon skeleton due to the steric hindrance of the central cove-edged bischrysene unit...
March 13, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28194976/reversible-photoisomerization-among-triplet-amino-naphthylnitrene-triplet-diimine-biradical-and-indazole-matrix-isolation-ir-spectra-of-8-amino-1-naphthylnitrene-1-8-naphthalenediimine-and-1-2-dihydrobenz-cd-indazole
#18
Takuya Okamura, Nobuyuki Akai, Munetaka Nakata
Reaction mechanisms of nitrene, one of the most famous biradicals, have been frequently studied, and many spectral data have been obtained so far. In the present study, the experimental IR spectra of triplet 8-amino-1-naphthylnitrene ((3)ANN), a triplet diimine biradical 1,8-dihydro-1,8-naphthalenediimine ((3)DND), and 1,2-dihydrobenz[cd]indazole (DBI), which are produced in the UV photolysis of 1,8-diaminonaphthalene in an Ar matrix and identified by a combination method of IR spectroscopy and DFT quantum chemical calculations, are first reported...
February 17, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28191929/stop-frame-filming-and-discovery-of-reactions-at-the-single-molecule-level-by-transmission-electron-microscopy
#19
Thomas W Chamberlain, Johannes Biskupek, Stephen T Skowron, Alexander V Markevich, Simon Kurasch, Oliver Reimer, Kate E Walker, Graham A Rance, Xinliang Feng, Klaus Müllen, Andrey Turchanin, Maria A Lebedeva, Alexander G Majouga, Valentin G Nenajdenko, Ute Kaiser, Elena Besley, Andrei N Khlobystov
We report an approach, named chemTEM, to follow chemical transformations at the single-molecule level with the electron beam of a transmission electron microscope (TEM) applied as both a tunable source of energy and a sub-angstrom imaging probe. Deposited on graphene, disk-shaped perchlorocoronene molecules are precluded from intermolecular interactions. This allows monomolecular transformations to be studied at the single-molecule level in real time and reveals chlorine elimination and reactive aryne formation as a key initial stage of multistep reactions initiated by the 80 keV e-beam...
March 28, 2017: ACS Nano
https://www.readbyqxmd.com/read/28140501/bis-aminoaryl-carbon-bridged-oligo-phenylenevinylene-s-expand-the-limits-of-electronic-couplings
#20
Paula Mayorga Burrezo, Nai-Ti Lin, Koji Nakabayashi, Shin-Ichi Ohkoshi, Eva M Calzado, Pedro G Boj, María A Díaz García, Carlos Franco, Concepciò Rovira, Jaume Veciana, Michael Moos, Christoph Lambert, Juan T López Navarrete, Hayato Tsuji, Eiichi Nakamura, Juan Casado
Carbon-bridged bis(aminoaryl) oligo(para-phenylenevinylene)s have been prepared and their optical, electrochemical, and structural properties analyzed. Their radical cations are class III and class II mixed-valence systems, depending on the molecular size, and they show electronic couplings which are among the largest for the self-exchange reaction of purely organic molecules. In their dication states, the antiferromagnetic coupling is progressively tuned with size from quinoidal closed-shell to open-shell biradicals...
January 31, 2017: Angewandte Chemie
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