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https://www.readbyqxmd.com/read/29332835/varietal-discrimination-of-hop-pellets-by-near-and-mid-infrared-spectroscopy
#1
Julio C Machado, Miguel A Faria, Isabel M P L V O Ferreira, Ricardo N M J Páscoa, João A Lopes
Hop is one of the most important ingredients of beer production and several varieties are commercialized. Therefore, it is important to find an eco-real-time-friendly-low-cost technique to distinguish and discriminate hop varieties. This paper describes the development of a method based on vibrational spectroscopy techniques, namely near- and mid-infrared spectroscopy, for the discrimination of 33 commercial hop varieties. A total of 165 samples (five for each hop variety) were analysed by both techniques. Principal component analysis, hierarchical cluster analysis and partial least squares discrimination analysis were the chemometric tools used to discriminate positively the hop varieties...
April 1, 2018: Talanta
https://www.readbyqxmd.com/read/29331772/alcohol-induced-risk-behaviors-among-brazilian-nightclub-patrons-a-latent-class-analysis
#2
A Sañudo, S Andreoni, Z M Sanchez
OBJECTIVE: The aim of this study is to identify risk behavior profiles associated with alcohol consumption among patrons during or just after departure from nightclubs in São Paulo, Brazil. STUDY DESIGN: Cross-sectional survey. METHODS: The study used a two-stage cluster sampling survey design. Data were collected on a probabilistic sample of nightclub patrons. Overall, 2422 patrons were interviewed at the entrance of 31 nightclubs. Latent class analysis (LCA) was used to identify risk behavior profiles with an emphasis on risky driving, fights, alcoholic blackouts, and harm and unsafe sex...
January 11, 2018: Public Health
https://www.readbyqxmd.com/read/29331134/coarse-grained-model-of-nanoscale-segregation-water-diffusion-and-proton-transport-in-nafion-membranes
#3
Aleksey Vishnyakov, Runfang Mao, Ming-Tsung Lee, Alexander V Neimark
We present a coarse-grained model of the acid form of Nafion membrane that explicitly includes proton transport. This model is based on a soft-core bead representation of the polymer implemented into the dissipative particle dynamics (DPD) simulation framework. The proton is introduced as a separate charged bead that forms dissociable Morse bonds with water beads. Morse bond formation and breakup artificially mimics the Grotthuss hopping mechanism of proton transport. The proposed DPD model is parameterized to account for the specifics of the conformations and flexibility of the Nafion backbone and sidechains; it treats electrostatic interactions in the smeared charge approximation...
January 14, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29330372/non-estrogenic-xanthohumol-derivatives-mitigate-insulin-resistance-and-cognitive-impairment-in-high-fat-diet-induced-obese-mice
#4
Cristobal L Miranda, Lance A Johnson, Oriane de Montgolfier, Valerie D Elias, Lea S Ullrich, Joshua J Hay, Ines L Paraiso, Jaewoo Choi, Ralph L Reed, Johana S Revel, Chrissa Kioussi, Gerd Bobe, Urszula T Iwaniec, Russell T Turner, Benita S Katzenellenbogen, John A Katzenellenbogen, Paul R Blakemore, Adrian F Gombart, Claudia S Maier, Jacob Raber, Jan F Stevens
Xanthohumol (XN), a prenylated flavonoid from hops, improves dysfunctional glucose and lipid metabolism in animal models of metabolic syndrome (MetS). However, its metabolic transformation into the estrogenic metabolite, 8-prenylnaringenin (8-PN), poses a potential health concern for its use in humans. To address this concern, we evaluated two hydrogenated derivatives, α,β-dihydro-XN (DXN) and tetrahydro-XN (TXN), which showed negligible affinity for estrogen receptors α and β, and which cannot be metabolically converted into 8-PN...
January 12, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29329248/performance-analysis-of-millimeter-wave-multi-hop-machine-to-machine-networks-based-on-hop-distance-statistics
#5
Haejoon Jung, In-Ho Lee
As an intrinsic part of the Internet of Things (IoT) ecosystem, machine-to-machine (M2M) communications are expected to provide ubiquitous connectivity between machines. Millimeter-wave (mmWave) communication is another promising technology for the future communication systems to alleviate the pressure of scarce spectrum resources. For this reason, in this paper, we consider multi-hop M2M communications, where a machine-type communication (MTC) device with the limited transmit power relays to help other devices using mmWave...
January 12, 2018: Sensors
https://www.readbyqxmd.com/read/29328686/three-dimensional-tracking-of-interfacial-hopping-diffusion
#6
Dapeng Wang, Haichao Wu, Daniel K Schwartz
Theoretical predictions have suggested that molecular motion at interfaces-which influences processes including heterogeneous catalysis, (bio)chemical sensing, lubrication and adhesion, and nanomaterial self-assembly-may be dominated by hypothetical "hops" through the adjacent liquid phase, where a diffusing molecule readsorbs after a given hop according to a probabilistic "sticking coefficient." Here, we use three-dimensional (3D) single-molecule tracking to explicitly visualize this process for human serum albumin at solid-liquid interfaces that exert varying electrostatic interactions on the biomacromolecule...
December 29, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/29328634/exploring-the-rich-potential-energy-surface-of-h2o-11-and-its-physical-implications
#7
Berhane Temelso, Katurah L Klein, Joel W Mabey, Cristóbal Pérez, Brooks H Pate, Zbigniew Kisiel, George C Shields
The rich potential energy surface of the water undecamer, (H2O)11, was explored with a basin-hopping algorithm using a TIP4P potential followed by extensive ab initio MP2 minimizations and CCSD(T) corrections. This protocol yielded 17, 66, and 125 distinct isomers within 0.5, 1.0 and 2.0 kcal mol-1 of the complete basis set CCSD(T) global minimum, respectively. These isomers were categorized into fifteen different families based on their oxygen framework and hydrogen bonding topology. Determination of the global minimum proved challenging because of the presence of many nearly isoenergetic isomers...
January 12, 2018: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29327390/from-intramolecular-circular-in-an-isolated-molecule-to-intermolecular-hole-delocalization-in-a-two-dimensional-solid-state-assembly-the-case-of-pillarene
#8
Maxim Ivanov, Denan Wang, Tushar Navale, Sergey Lindeman, Rajendra Rathore
To achieve long-range charge transport/separation and, in turn, bolster the efficiency of modern photovoltaic devices, new molecular scaffolds are needed that can self-assemble in two-dimensional (2D) arrays while maintaining both intra- and inter-molecular electronic coupling. In an isolated molecule of pillarene, a single hole delocalizes intramolecularly via hopping amongst the circularly arrayed hydroquinone ether rings. The crystallization of pillarene cation radical produces a 2D self-assembly with three intermolecular dimeric (sandwich-like) contacts...
January 11, 2018: Angewandte Chemie
https://www.readbyqxmd.com/read/29326223/genome-sequence-of-a-lethal-strain-of-xylem-invading-verticillium-nonalfalfae
#9
Jernej Jakše, Vid Jelen, Sebastjan Radišek, Ronnie de Jonge, Stanislav Mandelc, Aljaž Majer, Tomaž Curk, Blaž Zupan, Bart P H J Thomma, Branka Javornik
Verticillium nonalfalfae, a soilborne vascular phytopathogenic fungus, causes wilt disease in several crop species. Of great concern are outbreaks of highly aggressive V. nonalfalfae strains, which cause a devastating wilt disease in European hops. We report here the genome sequence and annotation of V. nonalfalfae strain T2, providing genomic information that will allow better understanding of the molecular mechanisms underlying the development of highly aggressive strains.
January 11, 2018: Genome Announcements
https://www.readbyqxmd.com/read/29322769/composition-microstructure-and-electrical-performances-of-sputtered-sno-thin-film-for-p-type-oxide-semiconductor
#10
Seung Jun Lee, Yoon Jin Jang, Han Joon Kim, Eun Suk Hwang, Seok Min Jeon, Jun Shik Kim, Taehwan Moon, Kyung-Tae Jang, Young-Chang Joo, Deok-Yong Cho, Cheol Seong Hwang
P-Type SnO thin films were deposited on Si substrate by a co-sputtering process using ce-ramic SnO and metal Sn targets at room temperature without adding oxygen. By varying the DC sputtering power applied to the Sn target while maintaining the RF power to the SnO target constant, the Sn:O ratio could vary from 56:44 to 74:26 at the as-deposited state. After the thermal annealing at 180 oC for 25 min under air atmosphere using a microwave annealing system, the films were crystallized into the tetragonal SnO while the Sn:O ratio became from 44:56 to 57:43...
January 11, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29322620/rice-protein-matrix-enhances-circulating-levels-of-xanthohumol-following-acute-oral-intake-of-spent-hops-in-humans
#11
Annalouise O'Connor, Veera Konda, Ralph L Reed, J Mark Christensen, Jan F Stevens, Nikhat Contractor
SCOPE: Xanthohumol (XN), a prenylated flavonoid found in hops, exhibits anti-inflammatory and antioxidant properties. However, poor bioavailability may limit therapeutic applications. As food components are known to modulate polyphenol absorption, the objective was to determine whether a protein matrix could enhance the bioavailability of XN post oral consumption in humans. METHODS AND RESULTS: This was a randomized, double-blind, cross-over study in healthy participants (n = 6) evaluating XN and its major metabolites [isoxanthohumol (IX), 6- and 8-prenylnaringenin (6-PN, 8-PN)] for 6 hours following consumption of 12...
January 11, 2018: Molecular Nutrition & Food Research
https://www.readbyqxmd.com/read/29318313/preparation-and-characterization-of-chromium-doped-ni-cu-zn-nano-ferrites
#12
Bajarang Laxman Shinde, Laxman Appa Dhale, Venkat S Suryavanshi, Kishan Shankarrao Lohar
Chromium doped Ni-Cu-Zn nano ferrites with chemical formula Ni0.2Cu0.2Zn0.6Fe2-xCrxO4 (x = 0.0, 0.2, 0.4, 0.6, 0.8, and 1.0) were prepared by using sol-gel auto combustion method. The prepared precursors of Chromium substituted Ni-Cu-Zn ferrites were sintered at 500 °C for 4h. Compositional stoichiometry were confirmed from EDAX patterns. The XRD data revealed that the all samples possess a single phase cubic spinel structure. The Lattice constant, X-ray density, hopping lengths and crystallite size determined from XRD data decreases with increase in Cr3+ concentration...
December 2017: Acta Chimica Slovenica
https://www.readbyqxmd.com/read/29318172/clinical-factors-that-predict-a-second-acl-injury-after-acl-reconstruction-and-return-to-sport-preliminary-development-of-a-clinical-decision-algorithm
#13
Mark V Paterno, Bin Huang, Staci Thomas, Timothy E Hewett, Laura C Schmitt
Background: Biomechanical predictors of a second anterior cruciate ligament (ACL) injury after ACL reconstruction (ACLR) and return to sport (RTS) have been identified; however, these measures may not be feasible in a standard clinical environment. Purpose/Hypothesis: The purpose of this study was to evaluate whether standard clinical measures predicted the risk of second ACL injuries. The hypothesis tested was that a combination of strength, function, and patient-reported measures at the time of RTS would predict the risk of second ACL injuries with high sensitivity and specificity...
December 2017: Orthopaedic Journal of Sports Medicine
https://www.readbyqxmd.com/read/29318168/the-utility-of-objective-strength-and-functional-performance-to-predict-subjective-outcomes-after-anterior-cruciate-ligament-reconstruction
#14
Heather Menzer, Lindsay V Slater, David Diduch, Mark Miller, Grant Norte, John Goetschius, Joseph M Hart
Background: Many clinicians release patients to return to activity after anterior cruciate ligament reconstruction (ACLR) based on time from surgery despite deficits in muscle strength and function. It is unclear whether symmetry or unilateral performance is the best predictor of subjective outcomes after ACLR. Purpose: To determine physical performance predictors of patient-reported outcomes after reconstruction. Study Design: Cross-sectional study; Level of evidence, 3...
December 2017: Orthopaedic Journal of Sports Medicine
https://www.readbyqxmd.com/read/29317169/herbicidal-aryldiones-incorporating-a-5-methoxy-1-2-5-triazepane-ring
#15
Tomas Smejkal, Shuji Hachisu, James N Scutt, Nigel J Willetts, Danielle Sayer, Laura Wildsmith, Sophie Oliver, Caroline Thompson, Michel Muehlebach
Novel 2-aryl-cyclic-1,3-diones containing a 5-methoxy-[1,2,5]triazepane unit were explored towards an effective and wheat safe control of grass weeds. Their preparation builds on the ease of synthetic access to 7-membered heterocyclic [1,2,5]triazepane building blocks. Substitution and pattern hopping in the phenyl moiety revealed structure-activity relationships in good agreement with previously disclosed observations amongst the pinoxaden family of acetyl-CoA carboxylase inhibitors. In light of basic physicochemical, enzyme inhibitory and binding site properties, the N-methoxy functionality effectively acts as a bioisostere of the ether group in the seven-membered hydrazine ring...
December 20, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/29317150/design-synthesis-and-evaluate-of-novel-dual-fgfr1-and-hdac-inhibitors-bearing-an-indazole-scaffold
#16
Jian Liu, Chengbo Qian, Yehua Zhu, Jianguo Cai, Yufang He, Jie Li, Tianlin Wang, Haohao Zhu, Zhi Li, Wei Li, Lihong Hu
Both histone deacetylase (HDAC) and fibroblast growth factor receptor (FGFR) are important targets for cancer therapy. Although combining dual HDAC pharmacophore with tyrosine kinase inhibitors (TKIs) had achieved a successful progress, dual HDAC/FGFR1 inhibitors haven't been reported yet. Herein, we designed a series of hybrids bearing 1H-indazol-3-amine and benzohydroxamic acids scaffold with scaffold hopping and molecular hybridization strategies. Among them, compound 7j showed the most potent inhibitory activity against HDAC6 with IC50 of 34 nM and exhibited the great inhibitory activities against a human breast cancer cell line MCF-7 with IC50 of 9 μM in vitro...
December 29, 2017: Bioorganic & Medicinal Chemistry
https://www.readbyqxmd.com/read/29317148/discovery-of-ebi-1051-a-novel-and-orally-efficacious-mek-inhibitor-with-benzofuran-scaffold
#17
Biao Lu, Song Huang, Jingsong Cao, Qiyue Hu, Ru Shen, Hong Wan, Dan Wang, Jijun Yuan, Lei Zhang, Jiayin Zhang, Minsheng Zhang, Weikang Tao, Lianshan Zhang
A novel series of benzodihydrofuran derivatives was developed as potent MEK inhibitors through scaffold hopping based on known clinical compounds. Further SAR exploration and optimization led to another benzofuran series with good oral bioavailability in rats. One of the compounds EBI-1051 (28d) demonstrated excellent in vivo efficacy in colo-205 tumor xenograft models in mouse and is suitable for pre-clinical development studies for the treatment of melanoma and MEK associated cancers. Compared to AZD6244, EBI-1051 showed superior potency in some cancer cell lines such as colon-205, A549 and MDA-MB-231...
December 20, 2017: Bioorganic & Medicinal Chemistry
https://www.readbyqxmd.com/read/29316797/disparities-in-hiv-viral-load-suppression-by-race-ethnicity-among-men-who-have-sex-with-men-in-the-hiv-outpatient-study
#18
Kate Buchacz, Carl Armon, E Tedaldi, Frank J Palella, Richard M Novak, Douglas Ward, Rachel Hart, Marcus Durham, John Brooks
INTRODUCTION: Maximizing the rates of virologic suppression (VS) among gay, bisexual, and other men who have sex with men (MSM) is essential to limiting HIV morbidity and sexual transmission of HIV in the United States. METHODS: We analyzed data for MSM of non-Hispanic white (white), non-Hispanic black (black) or Hispanic/Latino race/ethnicity in the HIV Outpatient Study (HOPS) at nine U.S. HIV clinics. VS (HIV RNA < 50 copies/mL) was measured closest to January 1, 2015...
January 9, 2018: AIDS Research and Human Retroviruses
https://www.readbyqxmd.com/read/29316790/unraveling-the-semiconducting-metallic-discrepancy-in-ni3-hitp-2
#19
Michael E Foster, Karl Sohlberg, Mark D Allendorf, A Alec Talin
Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2 is a π-stacked layered metal-organic framework material with extended π-conjugation that is analogous to graphene. Published experimental results indicate that the material is semiconducting, but all theoretical studies to-date predict the bulk material to be metallic. Given that previous experimental work was carried out on specimens containing complex nanocrystalline microstructures, and the tendency for internal interfaces to introduce transport barriers, we apply DFT to investigate the influence of internal interface defects on the electronic structure of bulk Ni3(HITP)2...
January 10, 2018: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/29314871/normative-functional-performance-values-in-high-school-athletes-the-functional-pre-participation-evaluation-project
#20
James A Onate, Cambrie Starkel, Daniel R Clifton
CONTEXT:   The fourth edition of the Preparticipation Physical Evaluation recommends functional testing for the musculoskeletal portion of the examination; however, normative data across sex and grade level are limited.3 Establishing normative data can provide clinicians reference points with which to compare their patients, potentially aiding in the development of future injury-risk assessments and injury-mitigation programs. OBJECTIVE:   To establish normative functional performance and limb-symmetry data for high school-aged male and female athletes in the United States...
January 9, 2018: Journal of Athletic Training
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