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https://www.readbyqxmd.com/read/28432857/on-the-importance-of-intramolecular-hydrogen-bond-cooperativity-in-d-glucose-an-nmr-and-qtaim-approach
#1
John S Lomas, Laurent Joubert
The idea that hydrogen bond cooperativity is responsible for the structure and reactivity of carbohydrates is examined. Density functional theory and gauge-including atomic orbital calculations on the known conformers of the α and β anomers of D-glucopyranose in the gas phase are used to compute proton NMR chemical shifts and interatomic distances, which are taken as criteria for probing intramolecular interactions. Atom-atom interaction energies are calculated by the interacting quantum atoms approach in the framework of the quantum theory of atoms in molecules...
April 22, 2017: Magnetic Resonance in Chemistry: MRC
https://www.readbyqxmd.com/read/28432772/studies-on-the-chitin-chitosan-binding-properties-of-six-cuticular-proteins-analogous-to-peritrophin-3-from-bombyx-mori
#2
M Qu, Y Ren, Y Liu, Q Yang
Chitin deacetylation is required to make the cuticle rigid and compact through chitin chain crosslinking. Thus it is presumed that specialized proteins are required to bind deacetylated chitin chains together. However, deacetylated-chitin binding proteins have not ever been reported. In a previous work, six cuticular proteins analogous to peritrophin 3 (CPAP3s) were found to be abundant in the moulting fluid of Bombyx mori. In this study, these BmCPAP3s (BmCPAP3-A1, BmCPAP3-A2, BmCPAP3-B, BmCPAP3-C, BmCPAP3-D1 and BmCPAP3-D2) were cloned and expressed in Escherichia coli and purified using metal-chelating affinity chromatography...
April 22, 2017: Insect Molecular Biology
https://www.readbyqxmd.com/read/28432727/efficacy-of-fractionated-microneedle-radiofrequency-with-and-without-adding-subcision-for-the-treatment-of-atrophic-facial-acne-scars-a-randomized-split-face-clinical-study
#3
Gita Faghihi, Nazila Poostiyan, Ali Asilian, Bahareh Abtahi-Naeini, Masoom Shahbazi, Fariba Iraji, Farahnaz Fatemi Naeini, Mohammad Ali Nilforoushzadeh
BACKGROUND: There is no gold standard treatment for facial acne scars, and overall, little literature exists about the combination therapy for treatment of acne scar. AIMS: The aim of this study was to evaluate the efficacy of fractionated microneedle radiofrequency (FMR) vs FMR combined with subcision for the treatment of atrophic acne scars. PATIENTS/METHODS: This was a randomized, split-face clinical study of 25 patients with II-IV Fitzpatrick skin types with moderate to severe facial atrophic acne scars...
April 22, 2017: Journal of Cosmetic Dermatology
https://www.readbyqxmd.com/read/28432725/synthesis-and-biological-potency-of-anilino-triazine-insecticides
#4
Timothy C Johnson, Annette V Brown, Kristy K Bryan, Katherine K Guenthenspberger, Ricky Hunter, Timothy P Martin, Noormohamed Niyaz, Gene F Tisdell, Tony Trullinger
BACKGROUND: An insecticide screening effort identified N-(4-bromophenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine-2-amine as having weak potency against two Lepidopteran species, Helicoverpa zea and Spodoptera exigua. A structure activity relationship study about the trifluoroethoxy substituents and the aniline of this compound was carried out in an effort to improve insecticidal potency. RESULTS: Initially, a series of analogs bearing various substituents on the aniline were prepared and the insecticidal potency was evaluated against Helicoverpa zea and Spodoptera exigua in greenhouse diet feeding assays...
April 22, 2017: Pest Management Science
https://www.readbyqxmd.com/read/28432588/patterns-of-care-and-outcomes-of-multi-agent-versus-single-agent-chemotherapy-as-part-of-multimodal-management-of-low-grade-glioma
#5
Waqar Haque, Vivek Verma, E Brian Butler, Bin S Teh
For high-risk low-grade gliomas (LGGs), adjuvant radiotherapy (RT) with procarbazine/lomustine/vincristine (PCV) chemotherapy increases overall survival (OS) over RT alone. However, in practice, temozolomide (TMZ) is often used instead of PCV. Using the National Cancer Data Base (NCDB), we provide the first investigation of practice patterns and outcomes of chemoradiotherapy with single-agent chemotherapy (SAC, analogous to TMZ) or multi-agent chemotherapy (MAC, analogous to PCV) for LGG. Patients with high-risk Grade II LGGs were queried in the NCDB...
April 21, 2017: Journal of Neuro-oncology
https://www.readbyqxmd.com/read/28432538/superoxide-generated-in-the-chloroplast-stroma-causes-photoinhibition-of-photosystem-i-in-the-shade-establishing-tree-species-psychotria-henryi
#6
Wei Huang, Ying-Jie Yang, Jiao-Lin Zhang, Hong Hu, Shi-Bao Zhang
Our previous studies indicated that high light induced significant photoinhibition of photosystem I (PSI) in the shade-establishing tree species Psychotria henryi. However, the underlying mechanism has not been fully clarified. In the present study, in order to investigate the mechanism of PSI photoinhibition in P. henryi, we treated detached leaves with constant high light in the presence of methyl viologen (MV) or a soluble α-tocopherol analog, 2,2,5,7,8-pentamethyl-6-chromanol (PMC). We found that MV significantly depressed photochemical quantum yields in PSI and PSII when compared to PMC...
April 21, 2017: Photosynthesis Research
https://www.readbyqxmd.com/read/28432532/a-portable-battery-powered-microfluidic-impedance-cytometer-with-smartphone-readout-towards-personal-health-monitoring
#7
Niloy Talukder, Abbas Furniturewalla, Tuan Le, Matthew Chan, Shreyas Hirday, Xinnan Cao, Pengfei Xie, Zhongtian Lin, Azam Gholizadeh, Steve Orbine, Mehdi Javanmard
We present a portable system for personalized blood cell counting consisting of a microfluidic impedance cytometer and portable analog readout electronics, feeding into an analog-to-digital converter (ADC), and being transmitted via Bluetooth to a user-accessible mobile application. We fabricated a microfluidic impedance cytometer with a novel portable analog readout. The novel design of the analog readout, which consists of a lock-in-amplifier followed by a high-pass filter stage for subtraction of drift and DC offset, and a post-subtraction high gain stage, enables detection of particles and cells as small as 1 μm in diameter, despite using a low-end 8-bit ADC...
June 2017: Biomedical Microdevices
https://www.readbyqxmd.com/read/28432457/outcome-and-revision-rate-of-uncemented-glenohumeral-resurfacing-c-a-p-after-5-8%C3%A2-years
#8
P C Geervliet, M P J van den Bekerom, P Spruyt, M Curvers, A van Noort, C P J Visser
BACKGROUND: Resurfacing of the glenohumeral joint for patients with glenohumeral arthritis has gained popularity since the first introduction. We report the mid-term results of the Global C.A.P. uncemented resurfacing shoulder prosthesis (DePuy Synthes). METHODS: From January 2007 to December 2009, 48 humeral cementless resurfacing prostheses in 46 patients were performed. All patients were diagnosed with primary glenohumeral osteoarthritis. Patients were contacted for review; the Constant Score, visual analog pain scale, Dutch Simple Shoulder Test, SF-12 scores and physical examination were assessed both preoperatively and yearly postoperatively...
April 21, 2017: Archives of Orthopaedic and Trauma Surgery
https://www.readbyqxmd.com/read/28432454/cobalt-tetradehydrocorrins-coordinated-by-imidazolate-like-histidine-in-the-heme-pocket-of-horseradish-peroxidase
#9
Koji Oohora, Ning Tang, Yoshitsugu Morita, Takashi Hayashi
Horseradish peroxidase was reconstituted with cobalt tetradehydrocorrin, rHRP(Co(TDHC)), as a structural analog of cobalamin coordinated with an imidazolate-like His residue, which is generally seen in native enzymes. In contrast to the previously reported cobalt tetradehydrocorrin-reconstituted myoglobin, rMb(Co(TDHC)), the HRP matrix was expected to provide strong axial ligation by His170 which has imidazolate character. rHRP(Co(II)(TDHC)) was characterized by EPR and its reaction with reductants indicates a negative shift of its redox potential compared to rMb(Co(TDHC))...
April 21, 2017: Journal of Biological Inorganic Chemistry: JBIC
https://www.readbyqxmd.com/read/28432315/experimental-evidence-of-fano-resonances-in-nanomechanical-resonators
#10
Stefano Stassi, Alessandro Chiadò, Giuseppe Calafiore, Gianluca Palmara, Stefano Cabrini, Carlo Ricciardi
Fano resonance refers to an interference between localized and continuum states that was firstly reported for atomic physics and solid-state quantum devices. In recent years, Fano interference gained more and more attention for its importance in metamaterials, nanoscale photonic devices, plasmonic nanoclusters and surface-enhanced Raman scattering (SERS). Despite such interest in nano-optics, no experimental evidence of Fano interference was reported up to now for purely nanomechanical resonators, even if classical mechanical analogies were referred from a theoretical point of view...
April 21, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28431879/improvement-of-herg-romk-index-of-spirocyclic-romk-inhibitors-through-scaffold-optimization-and-incorporation-of-novel-pharmacophores
#11
Shuzhi Dong, Kelsey VanGelder, Zhi-Cai Shi, Yang Yu, Zhicai Wu, Ron Ferguson, Zack Zhiqiang Guo, Haifeng Tang, Jessica Frie, Qinghong Fu, Xin Gu, Birgit T Priest, Brande Thomas-Fowlkes, Adam Weinglass, Michael Margulis, Jessica Liu, Lee-Yuh Pai, Caryn Hampton, Robin E Haimbach, Karen Owens, Vincent Tong, Shiyao Xu, Mengwei Hu, Gloria J Zingaro, Pierre Morissette, Juliann Ehrhart, Sophie Roy, Kathleen Sullivan, Alexander Pasternak
SAR in the previously described spirocyclic ROMK inhibitor series was further evolved from lead 4 by modification of the spirocyclic core and identification of novel right-side pharmacophores. In this process, it was discovered that the spiropyrrolidinone core with the carbonyl group α to the spirocenter was preferred for potent ROMK activity. Efforts aimed at decreasing hERG affinity within the series led to the discovery of multiple novel right-hand pharmacophores including 3-methoxythiadiazole, 2-methoxypyrimidine, and pyridazinone...
March 30, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28431353/discovery-of-potential-anticancer-multi-targeted-ligustrazine-based-cyclohexanone-and-oxime-analogs-overcoming-the-cancer-multidrug-resistance
#12
Gao-Feng Zha, Hua-Li Qin, Bahaa G M Youssif, Muhammad Wahab Amjad, Maria Abdul Ghafoor Raja, Ahmed H Abdelazeem, Syed Nasir Abbas Bukhari
The drug research and development nowadays is focusing on multi-target drugs. In the treatment of cancer, therapies using drugs inhibiting one numerous targets signify a novel viewpoint. In comparison with traditional therapy, multi-targeted drugs directly aim cell subpopulations which are involved in progression of tumor. The current study comprises the synthesis of 34 novel ligustrazine-containing α, β-unsaturated carbonyl-based compounds and oximes. The growth of 5 various cancer cell types was strongly inhibited by ligustrazine-containing oximes as revealed by biological evaluation...
April 14, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28431292/cannabis-and-cue-induced-craving-in-cocaine-dependent-individuals-a-pilot-study
#13
K Giasson-Gariépy, S Potvin, M Ghabrash, J Bruneau, D Jutras-Aswad
BACKGROUND: Cannabis consumption is common among cocaine users; however, little is known about its effect on cocaine craving. The objective of this study was to assess whether cannabis co-use is associated with lower cue-induced cocaine craving in non-treatment-seeking cocaine-dependent individuals. METHODS: Data from twenty-eight cocaine-dependent men were analyzed in this pilot study. Cocaine-dependent subjects (n=12) were compared with cocaine-dependent subjects who also abused or were dependent on cannabis (n=16)...
March 30, 2017: Addictive Behaviors
https://www.readbyqxmd.com/read/28431235/improving-surgeons-comfort-with-prismatic-glasses-during-cleft-palate-surgery-preliminary-findings
#14
Hai Kuang, Guosheng Chen, Qitao Wen, Shuai Li, Lei Che, Feixin Liang
PURPOSE: We aimed to observe the effect of prismatic glasses on improving surgeons' comfort during cleft palate surgery. MATERIALS AND METHODS: A within-subjects design was used. We included 3 oral-maxillofacial surgeons and 6 patients with complete cleft palate in the study. One group of cleft palate patients (3 complete cleft palates) was allocated to each of the 3 surgeons not wearing prismatic glasses, and another similar group of cleft palate patients was allocated to the same 3 surgeons wearing prismatic glasses...
March 27, 2017: Journal of Oral and Maxillofacial Surgery
https://www.readbyqxmd.com/read/28430973/biological-functions-of-fucose-in-mammals
#15
Michael Schneider, Esam Al-Shareffi, Robert S Haltiwanger
Fucose is a 6-deoxy hexose in the L-configuration found in a large variety of different organisms. In mammals, fucose is incorporated into N-glycans, O-glycans and glycolipids by thirteen fucosyltransferases, all of which utilize the nucleotide charged form, GDP-fucose, to modify targets. Three of the fucosyltransferases, FUT8, FUT12/POFUT1, and FUT13/POFUT2, are essential for proper development in mice. Fucose modifications have also been implicated in many other biological functions including immunity and cancer...
April 18, 2017: Glycobiology
https://www.readbyqxmd.com/read/28430879/role-of-phosphatase-and-tensin-homolog-pten-in-hypoxic-pulmonary-vasoconstriction
#16
Adrienn Krauszman, Tak Mak, Katalin Szaszi, Wolfgang M Kuebler
AIMS: Hypoxic pulmonary vasoconstriction (HPV) redistributes blood flow from poorly ventilated to better aerated areas in the lung, thereby optimizing ventilation-perfusion ratio (V/Q). Pulmonary artery smooth muscle cell (PASMC) contraction in response to hypoxia is triggered by Ca2+ influx via transient receptor potential canonical 6 (TRPC6) cation channels that have translocated to caveolae in the plasma membrane. Since phosphatase and tensin homolog (PTEN) was suggested to regulate TRPC6 in endothelial cells, we aimed to define its role in the hypoxic response of PASMCs and as a putative mediator of HPV...
April 18, 2017: Cardiovascular Research
https://www.readbyqxmd.com/read/28430841/associations-of-early-and-later-childhood-poverty-with-child-cognitive-function-in-indonesia-effect-decomposition-in-the-presence-of-exposure-induced-mediator-outcome-confounding
#17
Amelia Maika, Murthy N Mittinty, Sally Brinkman, John Lynch
The amount of family financial resources available in early life influences child health and development. Using data from the 2000 and 2007 waves of the Indonesian Family Life Survey, we estimated the associations of early-life poverty (at age <7 years) and poverty in later childhood (at age 7-14 years) with cognitive function at age 7-14 years. Our analysis provided little support for the idea that an early intervention to support household income has a larger effect than intervention later in childhood; both seemed equally important...
April 20, 2017: American Journal of Epidemiology
https://www.readbyqxmd.com/read/28430631/loss-of-steroid-hormone-receptors-is-common-in-malignant-pleural-and-peritoneal-effusions-of-breast-cancer-patients-treated-with-endocrine-therapy
#18
Willemijne A M E Schrijver, Karianne Schuurman, Annelot van Rossum, Ton Peeters, Natalie Ter Hoeve, Wilbert Zwart, Paul J van Diest, Cathy B Moelans
Discordance in estrogen receptor alpha (ERα), progesterone receptor (PR), androgen receptor (AR) and human epidermal growth factor receptor 2 (HER2) status between primary breast cancers and solid distant metastases ("conversion") has been reported previously. Even though metastatic spread to the peritoneal and pleural cavities occurs frequently and is associated with high mortality, the rate of receptor conversion and the prognostic implications thereof remain elusive.We therefore determined receptor conversion in 91 effusion metastases (78 pleural, 13 peritoneal effusions) of 69 patients by immunohistochemistry (IHC) and in situ hybridization...
February 20, 2017: Oncotarget
https://www.readbyqxmd.com/read/28430462/fuzzy-dark-matter-from-infrared-confining-dynamics
#19
Hooman Davoudiasl, Christopher W Murphy
A very light boson of mass O(10^{-22})  eV may potentially be a viable dark matter (DM) candidate, which can avoid phenomenological problems associated with cold DM. Such "fuzzy DM (FDM)" may naturally be an axion with a decay constant f_{a}∼10^{16}-10^{18}  GeV and a mass m_{a}∼μ^{2}/f_{a} with μ∼10^{2}  eV. Here, we propose a concrete model, where μ arises as a dynamical scale from infrared confining dynamics, analogous to QCD. Our model is an alternative to the usual approach of generating μ through string theoretic instanton effects...
April 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28430439/molecular-organization-of-2-1-3-benzothiadiazoles-in-the-solid-state
#20
Sophie Langis-Barsetti, Thierry Maris, James D Wuest
Derivatives of 2,1,3-benzothiadiazole (1) are widely used in many areas of science and are particularly valuable as components of active layers in various thin-film optoelectronic devices. Even more effective benzothiadiazoles are likely to result if a deeper understanding of their preferred patterns of molecular association can be acquired. To provide new insight, we have analyzed the structures of compounds in which multiple benzothiadiazole units are attached to well-defined planar and nonplanar molecular cores...
April 21, 2017: Journal of Organic Chemistry
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