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https://www.readbyqxmd.com/read/28730706/chromatographic-profiles-of-tryptophan-and-kynurenine-enantiomers-derivatized-with-s-4-3-isothiocyanatopyrrolidin-1-yl-7-n-n-dimethylaminosulfonyl-2-1-3-benzoxadiazole-using-lc-ms-ms-on-a-triazole-bonded-column
#1
Hideaki Iizuka, Takahiro Harashima, Shuhei Takahashi, Ryosuke Kuwabara, Yoko Naito, Tatsuya Sakamoto, Mayu Onozato, Hideaki Ichiba, Takeshi Fukushima
d- and l-Tryptophan (Trp) and d- and l-kynurenine (KYN) were derivatized with a chiral reagent, (S)-4-(3-isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole (DBD-PyNCS), and were separated enantiomerically by high-performance liquid chromatography (HPLC) equipped with a triazole-bonded column (Cosmosil HILIC) using tandem mass spectrometric (MS/MS) detection. Effects of column temperature, salt (HCO2 NH4 ) concentration, and pH of the mobile phase in the enantiomeric separation, followed by MS detection of (S)-DBD-PyNCS-d,l-Trp and -d,l-KYN, were investigated...
July 21, 2017: Chirality
https://www.readbyqxmd.com/read/28728414/putting-a-new-spin-on-supramolecular-metallacycles-co3-triangle-and-co4-square-bearing-tetrazine-based-radicals-as-bridges
#2
Dimitris I Alexandropoulos, Brian S Dolinar, Kuduva R Vignesh, Kim R Dunbar
The synthesis of two new radical bridged compounds [Co3(bptz)3(dbm)3]∙2toluene (1) and [Co4(bptz)4(dbm)4]∙4MeCN (2) (bptz = 3,6-bis(pyridyl)-1,2,4,5-tetrazine; dbm = 1,3-diphenyl-1,3-propanedione) is reported. The presence of the ligand-centered radical has been confirmed by X-ray crystallography and SQUID magnetometry. These complexes are the first metallacycles bearing nitrogen heterocyclic radicals as bridges. Magnetic studies reveal strong antiferromagnetic metal···radical coupling with coupling constants of J = -67...
July 21, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28705252/efficacy-of-prospective-pharmacogenetic-testing-in-the-treatment-of-major-depressive-disorder-results-of-a-randomized-double-blind-clinical-trial
#3
Víctor Pérez, Ariana Salavert, Jordi Espadaler, Miquel Tuson, Jerónimo Saiz-Ruiz, Cristina Sáez-Navarro, Julio Bobes, Enrique Baca-García, Eduard Vieta, José M Olivares, Roberto Rodriguez-Jimenez, José M Villagrán, Josep Gascón, Josep Cañete-Crespillo, Montse Solé, Pilar A Saiz, Ángela Ibáñez, Javier de Diego-Adeliño, José M Menchón
BACKGROUND: A 12-week, double-blind, parallel, multi-center randomized controlled trial in 316 adult patients with major depressive disorder (MDD) was conducted to evaluate the effectiveness of pharmacogenetic (PGx) testing for drug therapy guidance. METHODS: Patients with a CGI-S ≥ 4 and requiring antidepressant medication de novo or changes in their medication regime were recruited at 18 Spanish public hospitals, genotyped with a commercial PGx panel (Neuropharmagen®), and randomized to PGx-guided treatment (n = 155) or treatment as usual (TAU, control group, n = 161), using a computer-generated random list that locked or unlocked psychiatrist access to the results of the PGx panel depending on group allocation...
July 14, 2017: BMC Psychiatry
https://www.readbyqxmd.com/read/28704758/deconstruction-reconstruction-approach-to-analyze-the-essential-structural-elements-of-tetrahydro-3-benzazepine-based-antagonists-of-glun2b-subunit-containing-nmda-receptors
#4
Sougata Dey, Louisa Temme, Julian A Schreiber, Dirk Schepmann, Bastian Frehland, Kirstin Lehmkuhl, Nathalie Strutz-Seebohm, Guiscard Seebohm, Bernhard Wünsch
The role of the phenolic and benzylic OH moieties for the interaction of tetrahydro-3-benzazepine-1,7-diol 3d with GluN2B subunit containing NMDA receptors was analyzed by their stepwise removal. Elimination of trifluormethanesulfinate from 10 and 13 represent the key steps in the synthesis. Removal of phenolic OH moiety led to 5-fold reduced GluN2B affinity of 4d compared with 3d. Additional removal of the benzylic OH moiety (5d) resulted in further reduced GluN2B affinity but increased σ1 and σ2 affinities...
July 1, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28650620/influence-of-the-disposition-of-the-anisotropy-axes-into-the-magnetic-properties-of-mn-iii-dinuclear-compounds-with-benzoato-derivative-bridges
#5
Beltzane Garcia-Cirera, Silvia Gómez-Coca, Mercè Font-Bardia, Eliseo Ruiz, Montserrat Corbella
The two new Mn(III) dinuclear compounds [{Mn(H2O)(phen)}2(μ-4-CH3C6H4COO)2(μ-O)](ClO4)2·3CH3CN·H2O (1·3CH3CN·H2O) and [{Mn(H2O)(phen)}(μ-O)(μ-2-BrC6H4COO)2{Mn(NO3)(phen)}]NO3 (2) have been synthesized. Their structural data reveal significant differences in the shape of the coordination octahedron around the Mn(III) ions in both compounds. The different distortions from ideal geometry incite a very different magnetic behavior, affecting both the zero-field splitting parameters of the Mn(III) ions (DMn and EMn) and the magnetic interaction between them...
July 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28638635/crystal-structure-of-an-apremilast-ethanol-hemisolvate-hemihydrate-solvatomorph
#6
Yun-Deng Wu, Xiao-Hong Liu, Jian Xu, Si-Han Zhang, Kun Shen, Ling Sun, Yong-Mei He, Yan Ma, Ai-Hua Zhang
The title compound, C22H24N2O7S·0.5C2H5OH·0.5H2O {systematic name: (S)-4-acetamido-2-[1-(3-eth-oxy-4-meth-oxy-phen-yl)-2-(methyl-sulfon-yl)eth-yl]iso-indo-line-1,3-dione ethanol hemisolvate hemihydrate}, is a novel solvatomorph of apremilast (AP), which is an inhibitor of phosphodiesterase 4 (PDE4) and is indicated for the treatment of adult patients with active psoriatic arthritis. The asymmetric unit contains one mol-ecule of AP and disordered mol-ecules of ethanol and water, both with half occupancy. The dihedral angle between the planes of the phenyl ring and the iso-indole ring is 67...
June 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28635184/design-synthesis-and-biological-evaluation-of-isothiosemicarbazones-with-antimycobacterial-activity
#7
Eva Novotná, Karel Waisser, Jiří Kuneš, Karel Palát, Lenka Skálová, Barbora Szotáková, Vladimír Buchta, Jiřina Stolaříková, Vít Ulmann, Marcela Pávová, Jan Weber, Jitka Komrsková, Pavlína Hašková, Ivan Vokřál, Vladimír Wsól
A series of benzaldehyde and salicylaldehyde-S-benzylisothiosemicarbazones was synthesized and tested against 12 different strains of mycobacteria, Gram-positive and Gram-negative bacteria, and the significant selectivity toward mycobacteria was proved. Twenty-eight derivatives were evaluated for the inhibition of isocitrate lyase, which is a key enzyme of the glyoxylate cycle necessary for latent tuberculosis infection, and their iron-chelating properties were investigated. Two derivatives, 5-bromosalicylaldehyde-S-(4-fluorobenzyl)-isothiosemicarbazone and salicylaldehyde-S-(4-bromobenzyl)-isothiosemicarbazone, influenced the isocitrate lyase activity and caused a better inhibition at 10 μmol/L than 3-nitropropionic acid, a standard inhibitor...
June 21, 2017: Archiv der Pharmazie
https://www.readbyqxmd.com/read/28632048/effects-of-structural-components-of-artificial-turf-on-the-transmission-of-impacts-in-football-players
#8
Alberto Encarnación-Martínez, Antonio García-Gallart, Ana M Gallardo, Juan A Sánchez-Sáez, Javier Sánchez-Sánchez
The third generation of artificial turf systems (ATS) has matched the mechanical behaviour of natural grass, but today a high heterogeneity at structural level and mechanical behaviour in the new ATS also exists. The objective was to analyse the effect of the structural components of ATS football pitches and running speed on the capacity of impact attenuation. A total of 12 athletes were evaluated at three speed conditions (3.33 m/s, 4 m/s and maximum speed) on four different ATS, classifying them by their components (length of fibre, type of in-fill and sub-base)...
February 24, 2017: Sports Biomechanics
https://www.readbyqxmd.com/read/28628775/developing-new-pet-tracers-to-image-the-growth-hormone-secretagogue-receptor-1a-ghs-r1a
#9
Kazunori Kawamura, Masayuki Fujinaga, Yoko Shimoda, Tomoteru Yamasaki, Yiding Zhang, Akiko Hatori, Lin Xie, Hidekatsu Wakizaka, Katsushi Kumata, Takayuki Ohkubo, Yusuke Kurihara, Masanao Ogawa, Nobuki Nengaki, Ming-Rong Zhang
INTRODUCTION: `The growth hormone secretagogue receptor 1a (GHS-R1a) is the orphan G-protein-coupled receptor, and its endogenous ligand is ghrelin. GHS-R1a contributes to regulation of glucose homeostasis, memory and learning, food addiction, and neuroprotection. Several PET tracers for GHS-R1a have been developed, but none have been reported to be clinically applicable to GHS-R1a imaging. In this study, we developed three new PET tracers for GHS-R1a: (18)F-labeled 6-(4-chlorophenyl)-3-((1-(2-fluoroethyl)piperidin-3-yl)methyl)-2-(o-tolyl)quinazolin-4(3H)-one (1), (11)C-labeled 6-(4-chlorophenyl)-3-((1-(2-methoxyethyl)piperidin-3-yl)methyl)-2-(o-tolyl)quinazolin-4(3H)-one (2), and (11)C-labeled (S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4'-methoxy-[1,1'-biphenyl]-4-yl)methanone (3)...
September 2017: Nuclear Medicine and Biology
https://www.readbyqxmd.com/read/28624290/feasibility-of-reducing-differences-in-estimated-doses-in-nuclear-medicine-between-a-patient-specific-and-a-reference-phantom
#10
Alexandra Zvereva, Helmut Schlattl, Maria Zankl, Janine Becker, Nina Petoussi-Henss, Yeon Soo Yeom, Chan Hyeong Kim, Christoph Hoeschen, Katia Parodi
The feasibility of reducing the differences between patient-specific internal doses and doses estimated using reference phantoms was evaluated. Relatively simple adjustments to a polygon-surface ICRP adult male reference phantom were applied to fit selected individual dimensions using the software Rhinoceros®4.0. We tested this approach on two patient-specific phantoms: the biggest and the smallest phantoms from the Helmholtz Zentrum München library. These phantoms have unrelated anatomy and large differences in body-mass-index...
July 2017: Physica Medica: PM
https://www.readbyqxmd.com/read/28622325/fingerprick-autologous-blood-a-novel-treatment-for-dry-eye-syndrome
#11
J Than, S Balal, J Wawrzynski, N Nesaratnam, G M Saleh, J Moore, A Patel, S Shah, B Sharma, B Kumar, J Smith, A Sharma
PurposeDry eye syndrome (DES) causes significant morbidity. Trials of blood-derived products in treatment of the condition show promising results. However, their production is expensive and time-consuming. We investigate fingerprick autologous blood (FAB) as an alternative low-cost, readily accessible treatment for DES.Patients and methodsProspective, non-comparative, interventional case series. In total, 29 eyes of 16 DES patients (2 males and 14 females) from two NHS sites in the United Kingdom. Patients instructed to clean a finger, prick with a blood lancet, and apply a drop of blood to the lower fornix of the affected eye(s), 4 times daily for 8 weeks then stop and review 4 weeks later...
June 16, 2017: Eye
https://www.readbyqxmd.com/read/28606283/-assessment-of-the-radial-and-ulnar-arteries-hemodynamic-changes-by-ultrasound-in-patients-with-primary-palmar-hyperhidrosis-after-thoracic-sympathetic-block
#12
Y Fei, M M Xu, B Huang, K Y Xie, H D Ni, L Zhang, H P Zhang, M Yao
Objective: To evaluate the value of radial and ulnar arteries hemodynamic changes by ultrasound in patients with primary palmar hyperhidrosis after thoracic sympathetic block. Methods: This was a prospective study, from January 2016 to September 2016, 23 patients with primary palmar hyperhidrosis were admitted to the First Hospital of Jiaxing City, Zhejiang Province, 92 arteries of these patients who underwent thoracic sympathetic block were enrolled into this study. Diameters, peak systolic velocity (PSV), end diastolic velocity (EDV) and resistive index (RI) of the radial and ulnar arteries were examined one day before and after the operation by color Doppler ultrasound...
June 13, 2017: Zhonghua Yi Xue za Zhi [Chinese medical journal]
https://www.readbyqxmd.com/read/28599070/serum-microcystins-level-positively-linked-with-risk-of-hepatocellular-carcinoma-a-case-control-study-in-southwest-china
#13
Chuanfen Zheng, Hui Zeng, Hui Lin, Jia Wang, Xiaobin Feng, Zhiqun Qiu, Ji-An Chen, Jiaohua Luo, Yang Luo, Yujing Huang, Lingqiao Wang, Wenyi Liu, Yao Tan, Anwei Xu, Yuan Yao, Weiqun Shu
Microcystins have been reported carcinogenic by animal and cell experimentation, but there were no data on the linkage between serum microcystins and hepatocellular carcinoma (HCC) risk in human. We conducted a clinical case-control study to investigate the association between serum microcystins and HCC risk after controlling several known risk factors, such as hepatitis B virus (HBV), alcohol, and aflatoxin. From December 2013 to May 2016, 214 patients newly diagnosed with HCC, along with 214 controls (frequency-matched by age and sex) were recruited from three hospitals in Chongqing, Southwest China...
June 9, 2017: Hepatology: Official Journal of the American Association for the Study of Liver Diseases
https://www.readbyqxmd.com/read/28576759/competitive-dominance-within-biofilm-consortia-regulate-the-relative-distribution-of-pneumococcal-nasopharyngeal-density
#14
Xueqing Wu, Nate T Jacobs, Catherine Bozio, Preston Palm, Santiago M Lattar, Christiane R Hanke, David M Watson, Fuminori Sakai, Bruce R Levin, Keith P Klugman, Jorge E Vidal
Streptococcus pneumoniae is a main cause of child mortality worldwide, but strains also asymptomatically colonize the upper airways of most children forming biofilms. Recent studies have demonstrated that ∼50% of colonized children carry at least two different serotypes (i.e., strains) in the nasopharynx; however, studies of how strains coexist are limited. In this work, we investigated the physiological, genetics, and ecological requirements for the relative distribution of densities, and spatial localization, of pneumococcal strains within biofilm consortia...
June 2, 2017: Applied and Environmental Microbiology
https://www.readbyqxmd.com/read/28570495/power-profiles-of-competitive-and-non-competitive-mountain-bikers
#15
Andrew R Novak, Kyle J M Bennett, Matthew A Pluss, Job Fransen, Mark L Watsford, Ben J Dascombe
The performance of Olympic distance cross-country mountain bikers (XCO-MTB) is affected by constraints such as erosion of track surfaces and mass start congestion which can affect race results. Standardised laboratory assessments quantify inter-seasonal and intra-seasonal cycling potential through the assessment of multiple physiological capacities. Therefore, this study examined whether the power profile assessment could discriminate between competitive XCO-MTB and non-competitive mountain bikers (NC-MTB)...
May 30, 2017: Journal of Strength and Conditioning Research
https://www.readbyqxmd.com/read/28552098/cardiopulmonary-exercise-testing-in-aortic-stenosis
#16
Van Doan Tuyet Le
Patients with moderate to severe aortic stenosis (AVA <1.3 cm(2)) who were judged, by a referring cardiologist, as asymptomatic or equivocal symptomatic from the aortic stenosis were included in the study. Patients with left ventricular ejection fraction <50% were not included. Twenty-nine percent of the referred patients were judged asymptomatic and 71% equivocal symptomatic from their valve disease. The mean age was 72 years and 90% of the patients had an AVA-index <0.6 cm(2)/m(2). By clinical evaluation in the outpatient clinic, 48% were judged as having functional limitation corresponding to NYHA≥II...
May 2017: Danish Medical Journal
https://www.readbyqxmd.com/read/28544561/monofluoromethyl-substituted-sulfonium-ylides-electrophilic-monofluoromethylating-reagents-with-broad-substrate-scopes
#17
Yafei Liu, Long Lu, Qilong Shen
Two electrophilic monofluoromethylating reagents S-monofluoromethyl-S-phenyl-bis(carbomethoxy) methylide sulfonium ylide 3a and S-monofluoromethyl-S-(4-nitrophenyl)-bis(carbo -methoxy) methylide sulfonium ylide 3b and their reactions with a variety of nucleophiles such as alcohols and malonate derivatives, sulfonic and carboxylic acids, phenols, amides, and nitrogen of heteroarenes under mild conditions were described. Mechanistic studies by employing deuterated reagents 3a-D2/3b-D2 suggest that these monofluoromethylating reactions proceed via an electrophilic substitution pathway...
May 23, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28527146/real-time-elastography-rte-a-valuable-sonography-based-non-invasive-method-for-the-assessment-of-liver-fibrosis-in-chronic-hepatitis-b
#18
Tianyi Wang, Cuiping Shao, Guosheng Zhang, Youqing Xu
PURPOSE: To investigate the diagnostic usefulness of real-time elastography (RTE) for liver fibrosis in chronic hepatitis B (CHB). METHODS: 89 CHB patients were enrolled in the cross-sectional study. Ultrasound-guided percutaneous liver biopsies, RTE, and blood testing were performed in all patients. Areas under receiver operating characteristic curves (AUROC) were used to examine the diagnostic performance of liver fibrosis index (LFI) for the assessment of liver fibrosis...
May 19, 2017: Abdominal Radiology
https://www.readbyqxmd.com/read/28501431/lipase-catalyzed-kinetic-resolution-as-key-step-in-the-synthesis-of-enantiomerically-pure-%C3%AF-ligands-with-2-benzopyran-structure
#19
Inga Knappmann, Kirstin Lehmkuhl, Jens Köhler, Dirk Schepmann, Martin Giera, Franz Bracher, Bernhard Wünsch
In order to obtain enantiomerically pure σ1 receptor ligands with a 2-benzopyran scaffold an Oxa-Pictet-Spengler reaction with the enantiomerically pure 2-phenylethanol derivatives (R)-4 and (S)-4 was envisaged. The kinetic resolution of racemic alcohol (±)-4 using Amano Lipase PS-C II and isopropenyl acetate in tert-butyl methyl ether led to the (R)-configured alcohol (R)-4 in 42% yield with an enantiomeric excess of 99.6%. The (S)-configured alcohol (S)-4 was obtained by Amano Lipase PS-C II catalyzed hydrolysis of enantiomerically enriched acetate (S)-5 (76...
July 1, 2017: Bioorganic & Medicinal Chemistry
https://www.readbyqxmd.com/read/28498623/interplay-of-electronic-cooperativity-and-exchange-coupling-in-regulating-the-reactivity-of-diiron-iv-oxo-complexes-towards-c-h-and-o-h-bond-activation
#20
Gopalan Rajaraman, Azaj Ansari, Asmita Singha, Mursaleem Ansari
Activation of inert C-H bonds such as those of methane are extremely challenging for chemists but in the nature, soluble methane monooxygenase enzyme readily oxidize methane to methanol using a diiron(IV) species. This has prompted chemists to look for similar model systems. Recently a (μ-oxo)bis(μ-carboxamido)diiron(IV) ([Fe(IV)2O(L)2]2+ L= N,N-bis-(3',5'-dimethyl-4'-methoxypyridyl-2'-methyl)-N'-acetyl- 1,2-diaminoethane) complex has been generated via bulk electrolysis and this species activates an inert C-H bond almost 1000 times faster compared to mononuclear Fe(IV)=O species and at the same time selectively activates O-H bonds of alcohols...
May 12, 2017: Chemistry: a European Journal
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