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https://www.readbyqxmd.com/read/28636359/relativistic-approximations-to-paramagnetic-nmr-chemical-shift-and-shielding-anisotropy-in-transition-metal-systems
#1
Syed Awais Rouf, Jiří Mareš, Juha Vaara
We apply approximate relativistic methods to calculate the magnetic property tensors, i.e., the g-tensor, zero-field splitting (ZFS) tensor (D), and hyperfine coupling (HFC) tensors, for the purpose of constructing paramagnetic nuclear magnetic resonance (pNMR) shielding tensors. The chemical shift and shielding anisotropy are calculated by applying a modern implementation of the classic Kurland-McGarvey theory (J. Magn. Reson. 1970, 2, 286), which formulates the shielding tensor in terms of the g- and HFC tensors obtained for the ground multiplet, in the case of higher than doublet multiplicity defined by the ZFS interaction...
June 21, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28635545/current-asthma-respiratory-symptoms-and-airway-infections-among-students-in-relation-to-the-school-and-home-environment-in-japan
#2
Motoko Takaoka, Kyoko Suzuki, Dan Norbäck
OBJECTIVE: To study associations between the school and home environment and current asthma, respiratory symptoms and airway infections among Japanese students. METHODS: Japanese students (12-15 y) (N = 1048) in four schools responded to a questionnaire on respiratory health, allergy and the home environment. Temperature, relative air humidity (RH) and student density (students/m(2) floor area) was measured in the classrooms: dust was collected from floors and in classroom air and analysed for cat (Fel d 1) and dog (Can f 1) allergens...
February 10, 2017: Journal of Asthma: Official Journal of the Association for the Care of Asthma
https://www.readbyqxmd.com/read/28634291/rhodium-metalloinsertor-binding-generates-a-lesion-with-selective-cytotoxicity-for-mismatch-repair-deficient-cells
#3
Julie M Bailis, Alyson G Weidmann, Natalie F Mariano, Jacqueline K Barton
The DNA mismatch repair (MMR) pathway recognizes and repairs errors in base pairing and acts to maintain genome stability. Cancers that have lost MMR function are common and comprise an important clinical subtype that is resistant to many standard of care chemotherapeutics such as cisplatin. We have identified a family of rhodium metalloinsertors that bind DNA mismatches with high specificity and are preferentially cytotoxic to MMR-deficient cells. Here, we characterize the cellular mechanism of action of the most potent and selective complex in this family, [Rh(chrysi)(phen)(PPO)](2+) (Rh-PPO)...
June 20, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28633547/lipid-based-nanosystem-of-edaravone-development-optimization-characterization-and-in-vitro-in-vivo-evaluation
#4
Ankit Parikh, Krishna Kathawala, Chun Chuan Tan, Sanjay Garg, Xin-Fu Zhou
Edaravone (EDR) is a well-recognized lipophilic free radical scavenger for diseases including neurodegenerative disease, cardiovascular disease, and cancer. However, its oral use is restricted due to poor oral bioavailability (BA). The aim of present research was to enable its oral use by developing a lipid-based nanosystem (LNS). The components of LNS including oil, surfactants, and co-surfactants were selected based on their potential to maximize the solubilization in gastrointestinal (GI) fluids, reduce its glucuronidation and improve transmembrane permeability...
November 2017: Drug Delivery
https://www.readbyqxmd.com/read/28631488/synthesis-of-6-7-dideoxysqualestatin-h5-by-carbonyl-ylide-cycloaddition-rearrangement-and-cross-electrophile-coupling
#5
Younes Fegheh-Hassanpour, Tanzeel Arif, Herman O Sintim, Hamad H Al Mamari, David M Hodgson
An asymmetric synthesis of (-)-6,7-dideoxysqualestatin H5 is reported. Key features of the synthesis include the following: (1) highly diastereoselective n-alkylation of a tartrate acetonide enolate and subsequent oxidation-hydrolysis to provide an asymmetric entry to a β-hydroxy-α-ketoester motif; (2) facilitation of Rh(II)-catalyzed cyclic carbonyl ylide formation-cycloaddition by co-generation of keto and diazo functionality through ozonolysis of an unsaturated hydrazone; and (3) stereoretentive Ni-catalyzed Csp(3)-Csp(2) cross-electrophile coupling between tricarboxylate core and unsaturated side chain to complete the natural product...
June 20, 2017: Organic Letters
https://www.readbyqxmd.com/read/28631484/ocular-pharmacokinetics-of-therapeutic-antibodies-given-by-intravitreal-injection-estimation-of-retinal-permeabilities-using-a-3-compartment-semi-mechanistic-model
#6
Laurence A Hutton-Smith, Eamonn A Gaffney, Helen M Byrne, Philip K Maini, Kapil Gadkar, Norman Alan Mazer
Intravitreally (IVT) injected macromolecules for the treatment of age-related macular degeneration must permeate through the inner limiting membrane (ILM) into the retina and through the retinal pigment epithelium (RPE) to enter the choroid. A quantitative understanding of intraocular transport mechanisms, elimination pathways and the effect of molecular size, is currently incomplete. We present a semi-mechanistic, 3-compartment (retina, vitreous and aqueous) pharmacokinetic (PK) model, expressed using linear ordinary differential equations (ODEs), to describe the molecular concentrations following a single IVT injection...
June 20, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28631278/effects-of-different-temperatures-on-the-development-of-dermestes-frischii-and-dermestes-undulatus-coleoptera-dermestidae-comparison-between-species
#7
Simonetta Lambiase, Giulia Murgia, Roberto Sacchi, Michele Ghitti, Valeria di Lucia
Dermestidae could be useful in forensic investigations to assess the PMI as adults and larvae colonize dried remains. We reared two species of Dermestidae (Dermestes frischii and Dermestes undulatus) to understand the effects of different temperatures on the length of their whole life cycle and on their immature stages. Both species were reared at 23°C ± 0.5, RH 75% and at 26°C ± 0.5, 75% RH. Our result shows that the temperature is the main factor that influences the development of those species; in fact, increasing temperature leads to a shorter development cycle (59...
June 20, 2017: Journal of Forensic Sciences
https://www.readbyqxmd.com/read/28630836/teriparatide-treatment-improved-loosening-of-cementless-total-knee-arthroplasty-a-case-report
#8
Takashi Suzuki, Keinosuke Ryu, Kei Kojima, Shu Saito, Hiroshi Nagaoka, Yasuaki Tokuhashi
INTRODUCTION: Along with the increase of osteoporotic patients in an aging society, complications in surgeries associated with osteoporosis are also increasing. In cementless total knee arthroplasty (TKA), poor primary stability and subsequent initial loosening of the implant may be seen. CASE REPORT: The patient, a 75-year-old Asian woman with a history of osteoporosis, underwent cementless TKA. Knee radiography at 5 weeks postoperatively showed radiolucent lines outlined beneath the tibial tray and around the stem...
January 2017: Journal of Orthopaedic Case Reports
https://www.readbyqxmd.com/read/28630606/clinical-characteristics-target-organ-damage-and-associate-risk-factors-of-resistant-hypertension-determined-by-ambulatory-blood-pressure-monitoring-in-patients-aged-%C3%A2-80-years
#9
Zhi-Ru Liang, Ling-Gen Gao, Jian Cao, Hua Cui, Li Fan, De-Wei Gao
OBJECTIVES: To investigate clinical characteristics, target organ damage, and the associated risk factors of the patients aged ≥ 80 years with true resistant hypertension (RH). METHODS: Patients aged ≥ 80 years with hypertension (n = 1163) were included in this study. The included participants attended a structured clinical examination and an evaluation of RH was carried out. The prevalence, clinical characteristics and target organ damage of patients with RH were assessed...
May 2017: Journal of Geriatric Cardiology: JGC
https://www.readbyqxmd.com/read/28627177/rhodium-iii-catalyzed-selective-c-h-acetoxylation-and-hydroxylation-reactions
#10
Yunxiang Wu, Bing Zhou
An efficient Cp*Rh(III)-catalyzed, chelation-assisted C(sp(2))-H acetoxylation and hydroxylation reaction has been developed for the first time. The reaction proceeds under mild conditions and allows for selective preparation of C-H acetoxylation and hydroxylation products, thus providing a good complement to previous C-H oxygenation reactions and expanding the field of Cp*Rh(III)-catalyzed C-H functionalizations.
June 19, 2017: Organic Letters
https://www.readbyqxmd.com/read/28626799/acute-ischemic-lesions-associated-with-impairments-in-expression-and-recognition-of-affective-prosody
#11
Amy E Wright, Cameron Davis, Yessenia Gomez, Joseph Posner, Christopher Rorden, Argye E Hillis, Donna C Tippett
PURPOSE: We aimed to: (a) review existing data on the neural basis of affective prosody;(b) test the hypothesis that there are double dissociations in impairments of expression and recognition of affective prosody; and (c) identify areas of infarct associated with impaired expression and/or recognition of affective prosody after acute right hemisphere (RH) ischemic stroke. METHODS: Participants were tested on recognition of emotional prosody in content-neutral sentences...
July 2016: Perspectives of the ASHA special interest groups
https://www.readbyqxmd.com/read/28625894/evaluation-of-protective-immunity-induced-by-dna-vaccination-with-genes-encoding-toxoplasma-gondii-gra17-and-gra23-against-acute-toxoplasmosis-in-mice
#12
Wei-Ning Zhu, Jin-Lei Wang, Kai Chen, Dong-Mei Yue, Xiao-Xuan Zhang, Si-Yang Huang, Xing-Quan Zhu
Toxoplasma gondii, an obligatory intracellular protozoan, can cause serious public health problems and economic losses worldwide. Two novel dense granule proteins (GRA17 and GRA23) were recently identified as T. gondii-secreted proteins which are localized to the parasitophorous vacuole membrane (PVM) and can mediate the movement of small molecules between the host cell and parasitophorous vacuole (PV). In the present study, we evaluated the protective immunity induced by DNA vaccination with genes encoding GRA17 and GRA23 against acute toxoplasmosis in mice...
June 15, 2017: Experimental Parasitology
https://www.readbyqxmd.com/read/28624746/textual-properties-and-catalytic-performances-of-halloysite-hybrid-ceo2-zro2-nanoparticles
#13
Jing Ouyang, Zai Zhao, Yi Zhang, Huaming Yang
Halloysite (Hal) hybridized ceria-zirconia solid solution material (CZ-Hal) for three way catalysis was synthesized through co-precipitation method. X-ray diffraction (XRD), N2 adsorption-desorption isotherms, transmission electronic microscopy (TEM), scanning electronic microscopy (SEM), X-ray energy dispersion spectrum (EDS), and temperature-programmed H2 reduction (H2-TPR) were used to characterize the crystalline, textural, morphological, and reducibility of the products. The three way catalytic performances of the supported products was tested in stoichiometric air/fuel condition...
June 9, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28624086/rh-temperature-phase-diagrams-of-hydrate-forming-deliquescent-crystalline-ingredients
#14
Matthew Allan, Lisa J Mauer
Several common deliquescent crystalline food ingredients (including glucose and citric acid) are capable of forming crystal hydrate structures. The propensity of such crystals to hydrate/dehydrate or deliquesce is dependent on the environmental temperature and relative humidity (RH). As an anhydrous crystal converts to a crystal hydrate, water molecules internalize into the crystal structure resulting in different physical properties. Deliquescence is a solid-to-solution phase transformation. RH-temperature phase diagrams of the food ingredients alpha-d-glucose and citric acid, along with sodium sulfate, were produced using established and newly developed methods...
December 1, 2017: Food Chemistry
https://www.readbyqxmd.com/read/28621778/synthesis-of-functionalized-alkyl-substituted-benzoquinones-by-rh-catalyzed-additions-of-boronic-acids
#15
Marcos Veguillas, Jaime Rojas-Martín, María Ribagorda, M Carmen Carreño
A general synthetic route to γ-oxo alkyl or α-hydroxy benzyl 2-substituted benzoquinones has been developed through a one-pot Rh-catalyzed C-C bond formation/oxidative demethylation sequence from 2,5-dimethoxy aryl boronic acids and several electron deficient alkenes or aldehydes. The process allows rapid access to functionalized benzoquinones under very mild conditions and good yields. We disclose the first example of a Rh-catalyzed 1,4-addition reaction of benzoquinonyl boronic acid to methyl vinyl ketone and other conjugate acceptors, which allows the direct synthesis of 2-(γ-functionalized alkyl) substituted benzoquinones...
June 16, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/28621545/rh-iii-catalyzed-carboamination-of-propargyl-cycloalkanols-with-arylamines-via-csp-2-h-csp-3-csp-3-activation
#16
Xinwei Hu, Xun Chen, Yong Zhu, Yuanfu Deng, Huaqiang Zeng, Huanfeng Jiang, Wei Zeng
A Rh(III)-catalyzed carboamination of alkynyl cycloalkanols with arylamines has been developed. This transformation involves a novel Csp(2)-H/Csp(3)-Csp(3) activation relay and provides an efficient approach to versatile 1,2,3-trisubstituted indoles with a broad range of functional group tolerance.
June 16, 2017: Organic Letters
https://www.readbyqxmd.com/read/28621533/regioselective-rh-catalyzed-hydroformylation-of-1-1-3-trisubstituted-allenes-using-bisdiazaphos-ligand
#17
Josephine Eshon, Clark R Landis, Jennifer M Schomaker
The efficient hydroformylation of 1,1,3-trisubstituted allenes is accomplished with low loadings of a Rh catalyst supported by a BisDiazaPhos (BDP) ligand. The ligand identity is key to achieving high regioselectivity, while the mild reaction conditions minimize competing isomerization and hydrogenation to produce β,γ-unsaturated aldehydes and their derivatives in excellent yields.
June 19, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28621516/proton-conductivity-of-proton-exchange-membrane-synergistically-promoted-by-different-functionalized-metal-organic-frameworks
#18
Zhuang Rao, Beibei Tang, Peiyi Wu
In this study, two functionalized metal-organic frameworks (MOFs), UiO-66-SO3H and UiO-66-NH2 were synthesized. Then, different composite proton exchange membranes (PEMs) were prepared by single doping and co-doping of these two MOFs, respectively. It was found that co-doping of these two MOFs with suitable sizes was more conducive to the proton conductivity enhancement of the composite PEM. Synergistic effect between these two MOFs made the formation of more consecutive hydration channels in the composite PEM...
June 16, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28619043/effect-of-transcutaneous-electrical-stimulation-treatment-on-lower-urinary-tract-symptoms-after-class-iii-radical-hysterectomy-in-cervical-cancer-patients-study-protocol-for-a-multicentre-randomized-controlled-trial
#19
Xiu-Li Sun, Hai-Bo Wang, Zhi-Qi Wang, Ting-Ting Cao, Xin Yang, Jing-Song Han, Yang-Feng Wu, Kathleen H Reilly, Jian-Liu Wang
BACKGROUND: Class III radical hysterectomy (RH III)_plus pelvic lymphadenectomy is the standard surgery for early stage cervical cancer (CC) patients, the 5 year survival rate is about 90%, but pelvic floor disorders especially bladder dysfunction are common due to damaged vessels and nerve fibers following surgery. Transcutaneous electrical stimulation (TENS) treatment has been used to treat bladder disorders for many years, but its effect on cervical cancer patients, the best treatment time point and stimulated protocol, had never been assessed...
June 15, 2017: BMC Cancer
https://www.readbyqxmd.com/read/28617154/two-kidney-one-clip-is-a-pertinent-approach-to-integrate-arterial-hypertension-in-animal-models-of-stroke-serial-magnetic-resonance-imaging-studies-of-brain-lesions-before-and-during-cerebral-ischemia
#20
Benjamin Ménard, Laurent Chazalviel, Simon Roussel, Myriam Bernaudin, Omar Touzani
Although chronic arterial hypertension (CAH) represents the major comorbid factor in stroke, it is rarely integrated in preclinical studies of stroke. The majority of those investigations employ spontaneously hypertensive rats (SHR) which display a susceptibility to ischemic damage independent of hypertension. Here, we used a renovascular model of hypertension (RH) to examine, with magnetic resonance imaging (MRI), brain alterations during the development of hypertension and after brain ischemia. We also examined whether MRI-derived parameters predict the extent of ischemia-induced brain damage...
January 1, 2017: Journal of Cerebral Blood Flow and Metabolism
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