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https://www.readbyqxmd.com/read/28445964/abo-blood-group-and-ovarian-reserve-a-meta-analysis-and-systematic-review
#1
Jie Deng, Mengmeng Jia, Xiaolin Cheng, Zhen Yan, Dongmei Fan, Xiaoyu Tian
Ovarian reserve reflects a woman's fertility potential. The ABO blood group system is a very stable genetic marker. Although many recent studies have explored the relationship between ABO blood group and ovarian reserve, a consensus has not yet been reached. This paper is the first meta-analysis and systematic review of the relationship between ABO blood type and ovarian reserve. We analyzed seven cross-sectional studies evaluating follicle stimulating hormone (FSH) or anti-Mullerian hormone (AMH) levels in 55,113 participants to determine ovarian reserve...
April 11, 2017: Oncotarget
https://www.readbyqxmd.com/read/28445813/microfluidic-integrated-patterned-ito-immunosensor-for-rapid-detection-of-prostate-specific-membrane-antigen-biomarker-in-prostate-cancer
#2
Rajesh Seenivasan, Chandra K Singh, Jay W Warrick, Nihal Ahmad, Sundaram Gunasekaran
An optically transparent patterned indium tin oxide (ITO) three-electrode sensor integrated with a microfluidic channel was designed for label-free immunosensing of prostate-specific membrane antigen (PSMA), a prostate cancer (PCa) biomarker, expressed on prostate tissue and circulating tumor cells but also found in serum. The sensor relies on cysteamine capped gold nanoparticles (N-AuNPs) covalently linked with anti-PSMA antibody (Ab) for target specificity. A polydimethylsiloxane (PDMS) microfluidic channel is used to efficiently and reproducibly introduce sample containing soluble proteins/cells to the sensor...
April 11, 2017: Biosensors & Bioelectronics
https://www.readbyqxmd.com/read/28445637/control-of-charge-carriers-trapping-and-relaxation-in-hematite-by-oxygen-vacancy-charge-ab-initio-non-adiabatic-molecular-dynamics
#3
Zhaohui Zhou, Jin Liu, Run Long, Linqiu Li, Liejin Guo, Oleg V Prezhdo
Ultrafast charge recombination in hematite (α-Fe2O3) severely limits its applications in solar energy conversion and utilization, for instance, in photo-electrochemical water splitting. We report the first time-domain ab initio study of charge relaxation dynamics in α-Fe2O3 with and without the oxygen vacancy (Ov) defect, using non-adiabatic molecular dynamics implemented within time-dependent density functional theory. The simulations show that the hole trapping is the rate-limiting step in the electron-hole recombination process for both neutral and ionized Ov systems...
April 26, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28443920/how-does-substitution-affect-the-unimolecular-reaction-rates-of-criegee-intermediates
#4
Cangtao Yin, Kaito Takahashi
To gain an understanding of the substitution effect on the unimolecular reaction rate coefficients for Criegee intermediates (CIs), we performed ab initio calculations for CH2OO, CH3CHOO, (CH3)2COO, CH3CH2CHOO, CH2CHCHOO and CHCCHOO. The energies of the CIs, products and transition states were calculated with QCISD(T)/CBS//B3LYP/6-311+G(2d,2p), while the rate coefficients were calculated with anharmonic vibrational correction by using second order vibrational perturbation theory. It was found that for single bonded substitutions, the hydrogen transfer reaction dominates for the syn-conformers, while the OO bending reaction dominates for the anti-conformers...
April 26, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28443875/investigating-anomalous-thermal-expansion-of-copper-halides-by-inelastic-neutron-scattering-and-ab-initio-phonon-calculations
#5
Abhijith M Gopakumar, M K Gupta, R Mittal, S Rols, S L Chaplot
We investigate the detailed lattice dynamics of copper halides, CuX (X = Cl, Br, and I), using neutron inelastic scattering measurements and ab initio calculations aimed at a comparative study of their thermal expansion behavior. We identify the low energy phonons which soften with pressure and are responsible for negative thermal expansion. The eigenvector analysis of these modes suggests that softening of the transverse-acoustic modes would lead to NTE in these compounds. The calculations are in very good agreement with our measurements of phonon spectra and thermal expansion behavior as reported in the literature...
April 26, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28443858/multi-state-nonadiabatic-deactivation-mechanism-of-coumarin-revealed-by-ab-initio-on-the-fly-trajectory-surface-hopping-dynamic-simulation
#6
Yanzhen Gan, Ling Yue, Xugeng Guo, Chaoyuan Zhu, Zexing Cao
An on-the-fly trajectory surface hopping dynamic simulation has been performed for revealing the multi-state nonadiabatic deactivation mechanism of coumarin. The mechanism involves three adiabatic excited states, S3(ππ*Lb), S2(nπ*, ππ*La) and S1(ππ*La, nπ*), and the ground state S0 at the four state-averaged complete active space self-consistent field, SA4-CASSCF(12,10)/6-31G* level of theory. Upon photoexcitation to the third excited state S3(ππ*Lb) in the Franck-Condon region, 80% sampling trajectories decay to the dark S2(nπ*) state within an average of 5 fs via the conical intersection S3(ππ*Lb)/S2(nπ*), while 20% decay to the S2(ππ*La) state within an average of 11 fs via the conical intersection S3(ππ*Lb)/S2(ππ*La)...
April 26, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28443827/three-dimensional-magnetic-interactions-in-quasi-two-dimensional-pdas-sub-2-sub-o-sub-6-sub
#7
Zhiying Zhao, Yan Wu, Huibo Cao, Haidong Zhou, Jiaqiang Yan
Millimeter-sized PdAs<sub>2</sub>O<sub>6</sub> single crystals are grown using the vapor transport technique. The magnetic order at T<sub>N</sub>=140K is studied by measuring magnetic properties, specific heat, and neutron single crystal diffraction. The anisotropic magnetic susceptibility and a metamagnetic transition observed in magnetic fields above 2,kOe suggest that the magnetic moment lies in the <i>ab</i> plane, consistent with the magnetic structure determined by neutron single crystal diffraction...
April 26, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28443094/serum-igg-antibodies-from-pregnant-women-reacting-to-mimotopes-of-simian-virus-40-large-t-antigen-the-viral-oncoprotein
#8
Elisa Mazzoni, Mariantonietta Di Stefano, Josè R Fiore, Federica Destro, Marco Manfrini, John Charles Rotondo, Maria V Casali, Fortunato Vesce, Pantaleo Greco, Gennaro Scutiero, Fernanda Martini, Mauro G Tognon
Simian virus 40 (SV40) large T antigen (LT) coding sequences were revealed in different human samples, whereas SV40 antibodies (Ab) were detected in human sera of cancer patients and healthy individuals, although with a lower prevalence. Previous studies carried out by the neutralization assay gave a SV40 seroprevalence, in the general population, up to 8%, although higher rates, 12%, were detected in kidney transplant children, in a group of HIV-positive patients, and in healthy females. In this study, serum samples from pregnant women, together with those from non-pregnant women, were analyzed to check the prevalence of IgG Ab reacting to SV40 LT antigens...
2017: Frontiers in Immunology
https://www.readbyqxmd.com/read/28442718/pressure-induced-structural-change-in-liquid-gain-eutectic-alloy
#9
Q Yu, A S Ahmad, K Ståhl, X D Wang, Y Su, K Glazyrin, H P Liermann, H Franz, Q P Cao, D X Zhang, J Z Jiang
Synchrotron x-ray diffraction reveals a pressure induced crystallization at about 3.4 GPa and a polymorphic transition near 10.3 GPa when compressed a liquid GaIn eutectic alloy up to ~13 GPa at room temperature in a diamond anvil cell. Upon decompression, the high pressure crystalline phase remains almost unchanged until it transforms to the liquid state at around 2.3 GPa. The ab initio molecular dynamics calculations can reproduce the low pressure crystallization and give some hints on the understanding of the transition between the liquid and the crystalline phase on the atomic level...
April 25, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28442693/ab-interno-schlemm-s-canal-surgery
#10
Brian A Francis, Handan Akil, Benjamin B Bert
In primary open-angle glaucoma, the site of greatest resistance to aqueous outflow is thought to be the trabecular meshwork (TM) and inner wall of Schlemm's canal. Augmentation of the conventional (trabecular) outflow pathway can facilitate physiologic outflow and subsequently lower intraocular pressure. The most recent approach to enhancing the conventional outflow pathway is via an internal approach to the TM and Schlemm's canal. Ab interno Schlemm's canal surgery includes 4 novel surgical approaches: (1) removal of the TM and inner wall of Schlemm's canal by an internal approach (ab interno trabeculectomy), (2) implantation of a microstent to bypass the TM, (3) disruption of the TM and inner wall of Schlemm's canal via an internal approach (ab interno trabeculotomy), and (4) dilation of Schlemm's canal via an internal approach (ab interno canaloplasty)...
2017: Developments in Ophthalmology
https://www.readbyqxmd.com/read/28442692/viscocanalostomy-and-canaloplasty-ab-externo-schlemm-s-canal-surgery
#11
Matthias C Grieshaber
Ab externo Schlemm's canal (SC) surgery (e.g., viscocanalostomy and canaloplasty) is a valuable alternative to glaucoma filtration surgery. It targets the abnormally high resistance to outflow in the trabecular meshwork (TM) and reestablishes the physiologic outflow system. In viscocanalostomy, viscoelastic substance is injected to dilate SC, which in turn leads to microdisruptions of the inner wall. In canaloplasty, the additional intracanalicular stent (suture or Stegmann Canal Expander®) keeps the canal patent and enhances the circumferential flow...
2017: Developments in Ophthalmology
https://www.readbyqxmd.com/read/28442691/laser-assisted-techniques-for-penetrating-and-nonpenetrating-glaucoma-surgery
#12
Noa Geffen, Ehud I Assia, Shlomo Melamed
The use of lasers is slowly pervading all subspecialties of ophthalmology, especially glaucoma, and lasers are slowly replacing many glaucoma surgeries. Conventional trabeculectomy has so far remained the gold standard for glaucoma surgery and efforts are being made to develop a new surgical approach to overcome the limited success rate and safety issues of this traditional procedure. There is a great interest in using lasers for ab interno and ab externo penetrating and nonpenetrating filtering surgery. Theoretically, laser-assisted surgery offers the potential advantage of improved accuracy, repeatability, and safety, although the main drawback of using lasers for this purpose is the potential collateral damage induced by the scattered energy...
2017: Developments in Ophthalmology
https://www.readbyqxmd.com/read/28442690/mini-drainage-devices-for-anterior-and-intermediate-filtration
#13
Marco Nardi, Chiara Posarelli, Francesco Nasini, Michele Figus
Mini glaucoma devices for external filtration may be implanted with an ab externo procedure (Ex-PRESS and InnFocus Microshunt) or with an ab interno procedure (XEN Gel stent). The Ex-PRESS is an FDA-approved mini glaucoma device that has been developed in order to simplify anterior guarded filtering procedures, making them faster, safer and easier. It is positioned under a scleral flap and it is introduced in the anterior chamber through a needle hole, avoiding the excision of the corneal-scleral button and the iridectomy...
2017: Developments in Ophthalmology
https://www.readbyqxmd.com/read/28442387/establishment-of-microrna-delivery-system-by-pp7-bacteriophage-like-particles-carrying-cell-penetrating-peptide
#14
Yanli Sun, Yanhua Sun, Ronglan Zhao
MicroRNAs have great therapeutic potential in cancer and other diseases. However, their instability and low in vivo delivery efficiency limits their application. Recombinant PP7 bacteriophage-based virus-like particles (VLPs) could protect microRNAs against rapid degradation by RNase by packaging specific exogenous pre-microRNAs using the pac site. Insertion of a cell-penetrating peptide (CPP) into the AB-loop of VLPs could significantly improve the delivery efficiency of microRNAs into mammalian cells. Unlike other microRNA delivery methods (viral or non-viral vectors), recombinant PP7 VLPs carrying a CPP and microRNA could be efficiently expressed in Escherichia coli using the one-plasmid double expression system...
April 22, 2017: Journal of Bioscience and Bioengineering
https://www.readbyqxmd.com/read/28441867/accurate-neural-network-description-of-surface-phonons-in-reactive-gas-surface-dynamics-n2-ru-0001
#15
Khosrow Shakouri, Jörg Behler, Joerg Meyer, Geert-Jan Kroes
Ab initio molecular dynamics (AIMD) simulations enable the accurate description of reactive molecule-surface scattering especially if energy transfer involving surface phonons is important. However, presently the computational expense of AIMD rules out its application to systems where reaction probabilities are smaller than about 1 percent. Here we show that this problem can be overcome by a high-dimensional neural network fit of the molecule-surface interaction potential, which also incorporates the dependence on phonons by taking into account all degrees of freedom of the surface explicitly...
April 25, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28441800/-risk-for-metastasis-of-lymph-node-between-sternocleidomastoid-and-sternohyoid-muscle-in-papillary-thyroid-cancer
#16
G H Sun, N Qu, J Q Hu, R L Shi, T T Zhang, D Wen, Y L Wang, Y Wang, Y X Zhu, Q H Ji
Objective: To analyze the risk factors for metastasis of lymph nodes between sternocleidomastoid and sternohyoid muscle (LNSS) in papillary thyroid cancer (PTC). Methods: Papillary thyroid cancer patients with clinically positive lateral lymph node metastasis (cN1) who underwent surgery including LNSS dissection between May 1, 2013 and May 31, 2016 at the Department of Head and Neck Surgery, Fudan University Shanghai Cancer Center were retrospectively studied. Logistic regression analysis was performed to evaluate possible clinicopathological factors related to LNSS metastasis...
April 7, 2017: Zhonghua Er Bi Yan Hou Tou Jing Wai Ke za Zhi, Chinese Journal of Otorhinolaryngology Head and Neck Surgery
https://www.readbyqxmd.com/read/28441624/various-soil-amendments-and-environmental-wastes-affect-the-im-mobilization-and-phytoavailability-of-potentially-toxic-elements-in-a-sewage-effluent-irrigated-sandy-soil
#17
Sabry M Shaheen, Mohamed S Shams, Mohamed R Khalifa, Mohamed A El-Dali, Jörg Rinklebe
Contamination of long-term sewage effluent irrigated soils by potentially toxic elements (PTEs) is a serious concern due to its high environmental and health risk. Our scientific hypothesis is that soil amendments can cause contradictory effects on the element mobilization and phytoavailability depending on the type of element and amendment. Therefore, we aimed to assess the impact of the application (1%) of several low cost amendments and environmental wastes on the (im)mobilization, availability, and uptake of Al, Cd, Cr, Cu, Fe, Mn, Ni, and Zn by sorghum (Sorghum bicolor) in a long term sewage effluent irrigated sandy soils collected from Egypt...
April 22, 2017: Ecotoxicology and Environmental Safety
https://www.readbyqxmd.com/read/28441496/room-temperature-ferromagnetism-in-2d-fe2si-nanosheet-with-enhanced-spin-polarization-ratio
#18
Yingjie Sun, Zhiwen Zhuo, Xiaojun Wu, Jinlong Yang
Searching experimental feasible two-dimensional (2D) ferromagnetic crystals with large spin-polarization ratio, high Curie temperature and large magnetic anisotropic energy is one key to develop next-generation spintronic nano-devices. Here, 2D Fe2Si nanosheet, one counterpart of Hapkeite mineral discovered in meteorite, with novel magnetism is proposed on the basis of first-principles calculations. 2D Fe2Si crystal has a slightly buckled triangular lattice with planar hexacoordinated Si and Fe atoms. The spin-polarized calculations with hybrid HSE06 function method indicate that 2D Fe2Si is a ferromagnetic half metal at its ground state with 100% spin-polarization ratio at Fermi energy level...
April 25, 2017: Nano Letters
https://www.readbyqxmd.com/read/28441495/catalytic-directional-cutting-of-hexagonal-boron-nitride-the-roles-of-interface-and-etching-agent
#19
Liang Ma, Xiao Cheng Zeng
Transition-metal (TM) nanoparticle catalyzed cutting has been proven to be an efficient approach to carve out straight channels in graphene to produce high-quality nanoribbons. However, applicability of such a catalytic approach to hexagonal boron nitride (h-BN) is still an open question due to binary element compositions. Here, our ab initio study indicates that long/straight channels along either zigzag or armchair direction of the BN sheet can be carved out, driven by the energetically favored TM-zigzag or TM-armchair BN interface, regardless of roughness of TM particle surface...
April 25, 2017: Nano Letters
https://www.readbyqxmd.com/read/28441493/systematic-study-on-hydrated-arginine-clear-theoretical-evidence-for-the-canonical-to-zwitterionic-structure-transition
#20
Hongbao Li, Andong Hu, Jun Jiang, Yi Luo
Extensive ab initio investigations have been performed to characterize the stable conformers of hydrated arginine (Arg-H2O). Many new low-energy canonical Arg-H2O conformers were identified and they are more stable than previous results. The large energy differences (more than 5.00 kcal mol(-1)) between the canonical and zwitterionic Arg-H2O isomers calculated by the composite CBS-QB3 method confirmed the dominance of the zwitterions. The micro effects of corrections of the zero-point energy and the basis set superposition error on the stability of hydrated isomers were carefully examined for the first time...
April 25, 2017: Journal of Physical Chemistry. A
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