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https://www.readbyqxmd.com/read/28441736/a-weighted-belief-entropy-based-uncertainty-measure-for-multi-sensor-data-fusion
#1
Yongchuan Tang, Deyun Zhou, Shuai Xu, Zichang He
In real applications, how to measure the uncertain degree of sensor reports before applying sensor data fusion is a big challenge. In this paper, in the frame of Dempster-Shafer evidence theory, a weighted belief entropy based on Deng entropy is proposed to quantify the uncertainty of uncertain information. The weight of the proposed belief entropy is based on the relative scale of a proposition with regard to the frame of discernment (FOD). Compared with some other uncertainty measures in Dempster-Shafer framework, the new measure focuses on the uncertain information represented by not only the mass function, but also the scale of the FOD, which means less information loss in information processing...
April 22, 2017: Sensors
https://www.readbyqxmd.com/read/28441487/the-isomeric-preference-of-an-atypical-dopamine-transporter-inhibitor-contributes-to-its-selection-of-the-transporter-conformation
#2
Ara M Abramyan, Sebastian Stolzenberg, Zheng Li, Claus J Loland, Frank Noé, Lei Shi
Cocaine, a widely abused psychostimulant, inhibits the dopamine transporter (DAT) by trapping the protein in an outward-open conformation, whereas atypical DAT inhibitors such as benztropine have low abuse liability and prefer less outward-open conformations. Here, we use a spectrum of computational modeling and simulation approaches to obtain the underlying molecular mechanism in atomistic detail. Interestingly, our quantum mechanical calculations and molecular dynamics (MD) simulations suggest that a benztropine derivative JHW007 prefers a different stereoisomeric conformation of tropane in binding to DAT compared to that of a cocaine derivative, CFT...
April 25, 2017: ACS Chemical Neuroscience
https://www.readbyqxmd.com/read/28441485/new-insights-into-the-reaction-paths-of-4-carboxybenzophenone-triplet-with-oligopeptides-containing-n-and-c-terminal-methionine-residues
#3
Piotr Filipiak, Krzysztof Bobrowski, Gordon L Hug, Dariusz Pogocki, Christian Schoneich, Bronislaw Marciniak
The oxidation processes of L-Met-(Pro)n-L-Met peptides that contain two Met residues located on the N and C termini and separated by a defined number (n = 0 - 4) of proline residues were investigated in aqueous solutions using laser flash photolysis. The use of such peptides allowed for distance control between the sulfur atoms located in the side chains of the Met residues. Interactions between side chains of the Met residues were probed by the observation of transients with σ*-type 2c-3e (S∴S)(+), (S∴N)(+) and/or (S∴O)(+)-bonds as well as of α-(alkylthio)alkyl radicals (αS)...
April 25, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28441482/the-value-of-nmr-parameters-and-dft-calculations-for-quantum-information-processing-utilizing-phosphorus-heterocycles
#4
Jessica Boreli Dos Reis Lino, Eduardo P Rocha, Teodorico Castro Ramalho
Quantum computing is the field of science that uses quantum-mechanical phenomena, such as superposition and entanglement, to perform operations on data. The fundamental information unit used in quantum computing is the quantum bit or qubit. It is well-known that quantum computers could theoretically be able to solve problems much more quickly than any classical computers. Currently, the first and still the most successful implementations of quantum information processing (QIP) have been based on nuclear spins in liquids...
April 25, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28441481/best-practices-of-computer-aided-drug-discovery-cadd-lessons-learned-from-the-development-of-a-preclinical-candidate-for-prostate-cancer-with-a-new-mechanism-of-action
#5
Fuqiang Ban, Kush Dalal, Huifang Li, Eric LeBlanc, Paul S Rennie, Artem Cherkasov
Small-molecule drug design is a complex and iterative decision-making process relying on pre-existing knowledge and driven by experimental data. Low molecular weight chemicals represent an attractive therapeutic option as they are readily accessible to organic synthesis and can easily be characterized.1 Their potency, as well as pharmacokinetic and pharmacodynamic properties can be systematically and rationally investigated, and ultimately optimized via expert science behind medicinal chemistry and methods of computer-aided drug design (CADD)...
April 25, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28441341/a-long-term-treatment-with-arachidonyl-2-chloroethylamide-combined-with-valproate-increases-neurogenesis-in-a-mouse-pilocarpine-model-of-epilepsy
#6
Marta Andres-Mach, Mirosław Zagaja, Agnieszka Haratym-Maj, Radosław Rola, Maciej Maj, Joanna Haratym, Monika Dudra-Jastrzębska, Jarogniew J Łuszczki
Rational polytherapy in the treatment of refractory epilepsy has been the main therapeutic modality for several years. In treatment with two or more antiepileptic drugs (AEDs), it is of particular importance that AEDs be selected based on their high anticonvulsant properties, minimal side effects, and impact on the formation of new neurons. The aim of the study was to conduct an in vivo evaluation of the relationship between treatments with synthetic cannabinoid arachidonyl-2'-chloroethylamide (ACEA) alone or in combination with valproic acid (VPA) and hippocampal neurogenesis in a mouse pilocarpine model of epilepsy...
April 25, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28441100/women-s-health-as-an-ideological-and-political-issue-restricting-the-right-to-abortion-access-to-in-vitro-fertilization-procedures-and-prenatal-testing-in-poland
#7
Piotr Żuk, Paweł Żuk
The authors describe the problems of women in Poland, who have limited access to abortion, in vitro fertilization procedures and prenatal tests. The current situation stems from ideological pressure which affects women's health issues. This is part of a broader syndrome of the conservative approach to women's health in Eastern Europe, as well as the factor that strengthens the extreme right in Europe. As women's sexual health is demonized, women less often undergo preventive examinations. Making the debate about health more rational requires radical socio-cultural changes in this part of the world...
April 25, 2017: Health Care for Women International
https://www.readbyqxmd.com/read/28441020/general-c-h-arylation-strategy-for-the-synthesis-of-tunable-visible-light-emitting-high-stokes-shift-benzo-a-imidazo-2-1-5-c-d-indolizine-fluorophores
#8
Éric Lévesque, William Schulz Bechara, Léa Constantineau-Forget, Guillaume Pelletier, Natalie M Rachel, Joelle N Pelletier, André B Charette
Herein we report the discovery of the benzo[a]imidazo[2,1,5-c,d]indolizine motif displaying tunable emission covering most of the visible spectrum. The polycyclic core is obtained from readily available amides via a chemoselective process involving Tf2O-mediated amide cyclodehydration followed by intramolecular C-H arylation. Additionally, these fluorescent heterocycles are easily functionalized using electrophilic reagents, enabling divergent access to varied substitution. The effects of said substitution on the compounds' photophysical properties were rationalized by DFT calculations...
April 25, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28440617/anchoring-tailored-low-index-faceted-biobr-nanoplates-onto-tio2-nanorods-to-enhance-the-stability-and-visible-light-driven-catalytic-activity
#9
Chao Xue, Tianxi Zhang, Shujiang Ding, Jinjia Wei, Guidong Yang
In this work, a fantastic one-dimensional (1D) BiOBr/TiO2 nanorods (NRs) heterojunction composite was rationally proposed and designed from the perspective of molecular and interface engineering. The fabricated intimately connected interfacial heterojunction between two-dimensional (2D) BiOBr nanoplates and 1D TiO2 NRs acts as the interfacial nano-channel to promote efficient interfacial charge migration and the separation of photogenerated electron-hole pairs. As a result, 1D BiOBr/TiO2 NRs heterojunctions exhibited outstanding visible-light photocatalytic activities and sustained cycling performance...
April 25, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28440486/synergistic-antitumor-effects-of-cdk-inhibitor-sns%C3%A2-032-and-an-oncolytic-adenovirus-co%C3%A2-expressing-trail-and-smac-in-pancreatic-cancer
#10
Yun Ge, Wen Lei, Yingyu Ma, Yigang Wang, Buyun Wei, Xiaoyi Chen, Guoqing Ru, Xianglei He, Xiaozhou Mou, Shibing Wang
Gene therapy using oncolytic adenoviruses is a novel approach for human cancer therapeutics. The current study aimed to investigate whether the combined use of an adenovirus expressing tumor necrosis factor‑related apoptosis‑inducing ligand (TRAIL) and second mitochondria‑derived activator of caspase (Smac) upon caspase activation (ZD55‑TRAIL‑IETD‑Smac) and cyclin‑dependent kinase (CDK) inhibitor SNS‑032 will synergistically reinforce their anti‑pancreatic cancer activities. The experiments in vitro demonstrated that SNS‑032 enhances ZD55‑TRAIL‑IETD‑Smac‑induced apoptosis and causes marked pancreatic cancer cell death...
April 12, 2017: Molecular Medicine Reports
https://www.readbyqxmd.com/read/28440391/dehydrogenation-induced-inhibition-of-intramolecular-charge-transfer-in-substituted-pyrazoline-analogues
#11
Pronab Kundu, Dipanwita Banerjee, Gourhari Maiti, Nitin Chattopadhyay
The detailed photophysics of (E)-1,5-diphenyl-3-styryl-4,5-dihydro-1H-pyrazole (DSDP) and (E)-1,5-diphenyl-3-styryl-1H-pyrazole (DSP) has been investigated and compared to demonstrate the drastic modification of the photophysics upon dehydrogenation of the pyrazoline ring. While DSDP gives dual absorption and dual emission bands corresponding to the locally excited (LE) and the intramolecular charge transfer (ICT) species, DSP yields single absorption and emission bands for the locally excited species only...
April 25, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28439984/effects-of-energy-supply-and-nicotinic-acid-supplementation-on-serum-anti-oxidative-capacity-and-on-expression-of-oxidative-stress-related-genes-in-blood-leucocytes-of-periparturient-primi-and-pluriparous-dairy-cows
#12
S Bühler, J Frahm, R Tienken, S Kersten, U Meyer, K Huber, S Dänicke
The periparturient period is accompanied by metabolic and oxidative stress. Niacin is known to decrease lipolysis but is also reported to have anti-oxidative effects. Therefore, we examined the effects of energy supply and a nicotinic acid (NA) supplementation on anti-oxidative serum parameters and on the expression of oxidative stress-related genes in blood leucocytes of periparturient dairy cows, differing in parity. Twenty-nine pluriparous and 18 primiparous cows were allocated to four different feeding groups 42 days before expected parturition until 100 days postpartum and fed a ration with either a low concentrate proportion of 30% (LC) or a high concentrate proportion of 60% (HC)...
April 25, 2017: Journal of Animal Physiology and Animal Nutrition
https://www.readbyqxmd.com/read/28439821/epigenesis-and-the-rationality-of-nature-in-william-harvey-and-margaret-cavendish
#13
Benjamin Goldberg
The generation of animals was a difficult phenomenon to explain in the seventeenth century, having long been a problem in natural philosophy, theology, and medicine. In this paper, I explore how generation, understood as epigenesis, was directly related to an idea of rational nature. I examine epigenesis-the idea that the embryo was constructed part-by-part, over time-in the work of two seemingly dissimilar English philosophers: William Harvey, an eclectic Aristotelian, and Margaret Cavendish, a radical materialist...
June 2017: History and Philosophy of the Life Sciences
https://www.readbyqxmd.com/read/28439557/designer-interphases-for-the-lithium-oxygen-electrochemical-cell
#14
Snehashis Choudhury, Charles Tai-Chieh Wan, Wajdi I Al Sadat, Zhengyuan Tu, Sampson Lau, Michael J Zachman, Lena F Kourkoutis, Lynden A Archer
An electrochemical cell based on the reversible oxygen reduction reaction: 2Li(+) + 2e (-) + O2↔ Li2O2, provides among the most energy dense platforms for portable electrical energy storage. Such Lithium-Oxygen (Li-O2) cells offer specific energies competitive with fossil fuels and are considered promising for electrified transportation. Multiple, fundamental challenges with the cathode, anode, and electrolyte have limited practical interest in Li-O2 cells because these problems lead to as many practical shortcomings, including poor rechargeability, high overpotentials, and specific energies well below theoretical expectations...
April 2017: Science Advances
https://www.readbyqxmd.com/read/28439398/a-practical-approach-to-the-pharmacological-management-of-hypertension-in-older-people
#15
REVIEW
Nikesh Parekh, Amy Page, Khalid Ali, Kevin Davies, Chakravarthi Rajkumar
Hypertension is the leading cause of cardiovascular (CV) morbidity and mortality in adults over the age of 65. The first part of this paper is an overview, summarizing the current guidelines on the pharmacological management of hypertension in older adults in Europe and the USA, and evidence from key trials that contributed to the guidelines. In the second part of the paper, we will discuss the major challenges of managing hypertension in the context of multimorbidity, including frailty, orthostatic hypotension (OH), falls and cognitive impairment that are associated with ageing...
April 2017: Therapeutic Advances in Drug Safety
https://www.readbyqxmd.com/read/28439142/amine-vs-carboxylic-acid-protonation-in-ortho-meta-and-para-aminobenzoic-acid-an-irmpd-spectroscopy-study
#16
Adam P Cismesia, Georgina R Nicholls, Nicolas C Polfer
Infrared multiple photon dissociation (IRMPD) spectroscopy and computational chemistry are applied to the ortho-, meta-, and para- positional isomers of aminobenzoic acid to investigate whether the amine or the carboxylic acid are the favored sites of proton attachment in the gas phase. The NH and OH stretching modes yield distinct patterns that establish the carboxylic acid as the site of protonation in para-aminobenzoic acid, as opposed to the amine group in ortho- and meta-aminobenzoic acid, in agreement with computed thermochemistries...
February 2017: Journal of Molecular Spectroscopy
https://www.readbyqxmd.com/read/28438542/identification-of-low-micromolar-dual-inhibitors-for-aldose-reductase-alr2-and-poly-adp-ribose-polymerase-parp-1-using-structure-based-design-approach
#17
Navriti Chadha, Om Silakari
Clinical studies have revealed that diabetic retinopathy is a multifactorial disorder. Moreover, studies also suggest that ALR2 and PARP-1 co-occur in retinal cells, making them appropriate targets for the treatment of diabetic retinopathy. To find the dual inhibitors of ALR2 and PARP-1, the structure based design was carried out in parallel for both the target proteins. A series of novel thiazolidine-2,4-dione (TZD) derivatives were therefore rationally designed, synthesized and their in vitro inhibitory activities against ALR2 and PARP-1 were evaluated...
April 13, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28438499/rationalizing-endpoints-for-prospective-studies-of-pulmonary-exacerbation-treatment-response-in-cystic-fibrosis
#18
D R VanDevanter, S L Heltshe, J Spahr, V V Beckett, C L Daines, E C Dasenbrook, R L Gibson, R Jain, D B Sanders, C H Goss, P A Flume
BACKGROUND: Given the variability in pulmonary exacerbation (PEx) management within and between Cystic Fibrosis (CF) Care Centers, it is possible that some approaches may be superior to others. A challenge with comparing different PEx management approaches is lack of a community consensus with respect to treatment-response metrics. In this analysis, we assess the feasibility of using different response metrics in prospective randomized studies comparing PEx treatment protocols. METHODS: Response parameters were compiled from the recent STOP (Standardized Treatment of PEx) feasibility study...
April 21, 2017: Journal of Cystic Fibrosis: Official Journal of the European Cystic Fibrosis Society
https://www.readbyqxmd.com/read/28438176/the-pink1-p-i368n-mutation-affects-protein-stability-and-ubiquitin-kinase-activity
#19
Maya Ando, Fabienne C Fiesel, Roman Hudec, Thomas R Caulfield, Kotaro Ogaki, Paulina Górka-Skoczylas, Dariusz Koziorowski, Andrzej Friedman, Li Chen, Valina L Dawson, Ted M Dawson, Guojun Bu, Owen A Ross, Zbigniew K Wszolek, Wolfdieter Springer
BACKGROUND: Mutations in PINK1 and PARKIN are the most common causes of recessive early-onset Parkinson's disease (EOPD). Together, the mitochondrial ubiquitin (Ub) kinase PINK1 and the cytosolic E3 Ub ligase PARKIN direct a complex regulated, sequential mitochondrial quality control. Thereby, damaged mitochondria are identified and targeted to degradation in order to prevent their accumulation and eventually cell death. Homozygous or compound heterozygous loss of either gene function disrupts this protective pathway, though at different steps and by distinct mechanisms...
April 24, 2017: Molecular Neurodegeneration
https://www.readbyqxmd.com/read/28437748/rational-and-timely-haemostatic-interventions-following-cardiac-surgery-coagulation-factor-concentrates-or-blood-bank-products
#20
Mariann Tang, Christian Fenger-Eriksen, Per Wierup, Jacob Greisen, Jørgen Ingerslev, Vibeke Hjortdal, Benny Sørensen
BACKGROUND: Cardiac surgery may cause a serious coagulopathy leading to increased risk of bleeding and transfusion demands. Blood bank products are commonly first line haemostatic intervention, but has been associated with hazardous side effect. Coagulation factor concentrates may be a more efficient, predictable, and potentially a safer treatment, although prospective clinical trials are needed to further explore these hypotheses. This study investigated the haemostatic potential of ex vivo supplementation of coagulation factor concentrates versus blood bank products on blood samples drawn from patients undergoing cardiac surgery...
April 5, 2017: Thrombosis Research
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