bluuebunny/crossref_metadata_2025_split huggingface dataset:
The catalytic mechanism of cyclic GMP‐AMP synthase (cGAS) and implications for innate immunity and inhibition
Authors: Hall Justin , Ralph Erik C. , Shanker Suman , Wang Hong , Byrnes Laura J. , Horst Reto , Wong Jimson , Brault Amy , Dumlao Darren , Smith James F. , Dakin Leslie A. , Schmitt Daniel C. , Trujillo John , Vincent Fabien , Griffor Matt , Aulabaugh Ann E. 
Published: September 2017

AbstractCyclic GMP‐AMP synthase (cGAS) is activated by ds‐DNA binding to produce the secondary messenger 2′,3′‐cGAMP. cGAS is an important control point in the innate immune response; dysregulation of the cGAS pathway is linked to autoimmune diseases while targeted stimulation may be of benefit in immunoncology. We report here the structure of cGAS with dinucleotides and small molecule inhibitors, and kinetic studies of the cGAS mechanism. Our structural work supports the understanding of how ds‐DNA activates cGAS, suggesting a site for small molecule binders that may cause cGAS activation at physiological ATP concentrations, and an apparent hotspot for inhibitor binding. Mechanistic studies of cGAS provide the first kinetic constants for 2′,3′‐cGAMP formation, and interestingly, describe a catalytic mechanism where 2′,3′‐cGAMP may be a minor product of cGAS compared with linear nucleotides.
Crystal structure of the Legionella pneumophila Lpg2936 in complex with the cofactor S‐adenosyl‐L‐methionine reveals novel insights into the mechanism of RsmE family methyltransferases
Authors: Pinotsis Nikos , Waksman Gabriel 
Published: September 2017

AbstractThe methylation of U1498 located in the 16S ribosomal RNA of Escherichia coli is an important modification affecting ribosomal activity. RsmE methyltransferases methylate specifically this position in a mechanism that requires an S‐adenosyl‐L‐methionine (AdoMet) molecule as cofactor. Here we report the structure of Apo and AdoMet‐bound Lpg2936 from Legionella pneumophila at 1.5 and 2.3 Å, respectively. The protein comprises an N‐terminal PUA domain and a C‐terminal SPOUT domain. The latter is responsible for protein dimerization and cofactor binding. Comparison with similar structures suggests that Lpg2936 is an RsmE‐like enzyme that can target the equivalent of U1498 in the L. pneumophila ribosomal RNA, thereby potentially enhancing ribosomal activity during infection‐mediated effector production. The multiple copies of the enzyme found in both structures reveal a flexible conformation of the bound AdoMet ligand. Isothermal titration calorimetry measurements suggest an asymmetric two site binding mode. Our results therefore also provide unprecedented insights into AdoMet/RsmE interaction, furthering our understanding of the RsmE catalytic mechanism.
Structural, Magnetic, Spectroscopic and Density Functional Theory (DFT) Analysis of Bis((1‐((E)‐2‐pyridinylmethylidene)semicarbazone)copper(II)sulfate) Dihydrate Complex.
Authors: Soek Rafael N. , da C. Gouveia Tiago L. , Garbelini Ellery R. , dos R. Crespan Estela , Pineider Francesco , Poneti Giordano , Machado Guilherme S. , Ribeiro Ronny R. , Hörner Manfredo , Nunes Fábio S. 
Published: September 2017

AbstractHerein we describe the synthesis, structural, spectroscopic and magnetic characterization of a new pentacoordinated bicopper(II) complex containing 2‐formylpyridine semicarbazone (HSCpy), referred as complex 1. Each copper core is bound to one N,N,O‐tridentate HSCpy ligand and connected to the second metal ion by two μ‐oxygen sulfato‐bridges. The compound shows an extensive association between the neutral complex molecule and water as crystallization solvate through classical N−H⋅⋅⋅O, O−H⋅⋅⋅O and, non‐classical C−H⋅⋅⋅O intermolecular hydrogen bonding generating a supramolecular 3‐D assembly in the solid state. Jahn‐Teller stabilization energies at 5144 cm−1 and spin orbit coupling constants λ=−442 cm−1 were estimated using the electronic spectra and Electron Paramagnetic Resonance data. The variable‐temperature (2‐300 K) magnetic measurements showed isotropic magnetic interaction between the two copper ions, according to the spin Hamiltonian yielding 2 J values at −0.34 cm−1 for complex 1, in accordance with a very small antiferromagnetic interaction between copper ions kept apart by 3.24 Å. The results are compared to the thiosemicarbazone analogue.
Copper‐Catalyzed ortho‐Thiomethylation of Benzamides via 8‐Aminoquinoline‐Assisted C‐H Activation with Dimethyl Sulfoxide
Authors: Cui Xinfeng , Liu Xingxing , Wang Xiajun , Tian Wanfa , Wei Daidong , Huang Guosheng 
Published: September 2017

AbstractAn efficient and facile protocol concerning Cu(II)‐catalyzed methylthiolation of 8‐aminoquinoline amides under air atmosphere with widely available DMSO as the terminal thiomethyl source has been developed. The reaction exhibits excellent functional group tolerance and highly regioselectivity, which provides an attractive approach for aryl methyl thioethers preparation.
Catalytic Conversion of Biomass into Hydrocarbons over Noble‐Metal‐Free VO‐Substituted Potassium Salt of Phosphotungstic Acid
Authors: Imran Muhammad , Zhou Xiao , Ullah Naseeb , Liu Ya‐Nan , Zeb Akif , Jiang Nan , Qazi Umair Yaqub , Yuan Cheng‐Zong , Xu An‐Wu 
Published: September 2017

AbstractBio‐fuels emerge as a promising candidate for a sustainable and cheap energy source that can replace diminishing fossil fuels. Among various methods used for the production of bio‐fuel, catalytic hydrodeoxygenation (HDO) is one of the most efficient route due to high conversion efficiency, easy handling and flexibility of using raw biomass. In this context, we present the use of noble‐metal‐free oxo‐vanadium‐substituted potassium salt of phosphotungstic acid as a catalyst for HDO of pine sawdust into hydrocarbons and valuable chemicals with a high carbon yield (73.5%) and excellent conversion efficiency (86.2%). The high Brønsted acidity of phosphotungstic acid greatly favors deoxygenation reactions of lignocellulosic components. Moreover, the synergistic effect between keggin‐anion, potassium and vanadium entities supports fast multi‐electron redox transformations and much improves thermal stability. The cellulosic components are selectively converted into pentanes and hexanes. The lignin fraction of biomass is converted into phenolic compounds. It is worth mentioning that raw biomass is directly utilized as obtained without pretreatment, separation and hydrolysis processes in comparison with the existing approaches, thus saving tremendous amount of energy and reducing the cost for large scale production.
Ethyl acetate fraction from methanol extraction of Vitis thunbergii var. taiwaniana induced G0/G1 phase arrest via inhibition of cyclins D and E and induction of apoptosis through caspase‐dependent and ‐independent pathways in human prostate carcinoma DU145 cells
Authors: Lin Chia‐Hsin , Chan Hsiao‐Sung , Tsay Hsin‐Sheng , Funayama Shinji , Kuo Chao‐Lin , Chung Jing‐Gung 
Published: September 2017

AbstractVitis thunbergii var. taiwaniana (VTT) is a wild grape native to Taiwan, belonging to the Vitaceae family and Vitis genus, and widely used as folk herbal medicine. It is traditionally used for the treatment of diarrhea, hypertension, neuroprotection, jaundice, and arthritis. We used the wild‐collected VTT and sterilized them to establish the plant tissue culture, and then took the leaves for DNA sequencing to determine its original base. We use methanol to extract VTT in four different solvents: 1‐butanol, n‐hexane, ethyl acetate, and water. These four preliminary extracts were used to treat human prostate cancer DU145 cells in vitro. We use the flow cytometry to check the cell survival situation. Finally, we found the ethyl acetate layer roughing product (referred VTEA) in human prostate cancer apoptotic effects of cell line DU‐145. In the present studies, we use the crude extract of VTT to examine whether or not it can induce apoptosis of DU145 cells in vitro. Viability assays for extracts of VTT treatment showed that it had dose‐dependent effect on human prostate cancer DU145 cells. We also found that the extract of VTT induces time‐dependent mitochondrial and intrinsic‐dependent apoptosis pathways. The in vitro cytotoxic effects were investigated by cell cycle analysis and the determination of apoptotic DNA fragmentation in DU145 cells. The cell cycle analysis showed that extracts of VTT induced a significant increase in the number of cells in G0/G1 phase. The extract of VTT induced chromatin changes and apoptosis of DU145 cells also were confirmed by DAPI and PI staining that were measured by fluorescence microscopy and flow cytometry, respectively. Finally, the expression of relevant proteins was analyzed by Western blot analysis. These results promoted us to further evaluate apoptosis associated proteins and elucidate the possible signal pathway in DU‐145 cells after treated with the extract of VTT.
Validation of a four items version of the Functional Remission of General Schizophrenia scale (the mini-FROGS) to capture the functional benefits of clinical remission
Authors: Mallet J. , Lancrenon S. , Llorca P.-M. , Lançon C. , Baylé F.-J. , Gorwood P. 
Published: September 2017

AbstractObjectivesWe previously developed the Functional Remission Of General Schizophrenia (FROGS) scale demonstrating first, reliable assessment in a cross-sectional study and second, good time-stability. The purpose of the present analysis was to propose a shorter version (mini-FROGS), more compatible with the limited time available in a psychiatric visit, focusing on the functional domains that have higher likelihood of being improved with higher and/or longer symptomatic remission in different cultural backgrounds.MethodsWe used multiple regressions to find the most informative items explaining increased length of symptomatic remission, using prospective data from a national observational multicenter survey. Then, the mini-FROGS was used in different European countries to test its between-center reliability, compared to other scales.ResultsFour domains were retained as capturing the maximum of symptomatic remission, namely (1) travel and communication, (2) management of illness and treatment, (3) self-esteem and sense of independence and (4) respect of biological rhythms. First, the mini-FROG was evaluated in 443 French patients with clinical remission and 22 without, and 12/18 months later in 140 patients still in clinical remission and 23 in relapse. In Europe, 295 schizophrenia patients were assessed with the mini-FROGS and other scales devoted to functional remission, allowing comparisons. The mini-FROGS showed good correlations with other scales in different countries and demonstrated good psychometric properties.ConclusionThese results give evidence that a 4 items-only version of the FROGS scale may be useful to assess important aspects of functional remission, tightly linked to the length of clinical remission.
Incidence of dementia in elderly Latin Americans: Results of the Maracaibo Aging Study
Authors: Maestre Gladys E. , Mena Luis J. , Melgarejo Jesus D. , Aguirre‐Acevedo Daniel C. , Pino‐Ramírez Gloria , Urribarrí Milady , Chacon Inara J. , Chávez Carlos A. , Falque‐Madrid Luis , Gaona Ciro A. , Terwilliger Joseph D. , Lee Joseph H. , Scarmeas Nikolaos 
Published: September 2017

AbstractIntroductionThere are few longitudinal studies of dementia in developing countries. We used longitudinal data from the Maracaibo Aging Study to accurately determine the age‐ and sex‐specific incidence of dementia in elderly Latin Americans.MethodsThe Diagnostic and Statistical Manual of Mental Disorders (Fourth Edition, Text Revision) was used to diagnose dementia, which was classified as Alzheimer's disease, vascular dementia, or other. Age‐ and sex‐specific incidence was estimated as the number of new cases of dementia divided by person‐years (p‐y) of follow‐up.ResultsThe incidence of all dementia diagnoses was 9.10 per 1000 p‐y (95% confidence interval [CI] 7.13–11.44; 8026 total p‐y), 5.18 for Alzheimer's disease (95% CI 3.72–7.03; 7916 total p‐y), and 3.35 for vascular dementia (95% CI 2.19–4.91; 7757 total p‐y).DiscussionAmong Maracaibo Aging Study participants younger than 65 years, the incidence of dementia was higher than that of US Whites. Among individuals older than 65 years, the incidence was comparable to the mean of previous incidence estimates for other populations worldwide.
An Evolving Role for Cancer Rehabilitation in the Era of Low‐Dose Lung Computed Tomography Screening
Authors: Smith Sean Robinson , Khanna Ashish , Wisotzky Eric M. 
Published: September 2017

AbstractLung cancer is the number one cause of cancer‐related death worldwide, and is often detected in the later stages. Use of low‐dose chest computed tomography in at‐risk patients provides earlier detection and is being adopted as the standard screening tool, replacing less precise methods of radiography and sputum cytology. In the past, late detection of disease meant that rehabilitation interventions attempted to salvage function and to improve aerobic capacity to the point where patients could tolerate the sometimes‐extensive oncologic treatment, including lobectomy or pneumonectomy. Earlier detection may shift this toward more often addressing specific neuromusculoskeletal impairments, such as postthoracotomy pain or peripheral neuropathy, as patients with early‐stage disease may not be as debilitated by chronic disease or metastases as those with late‐stage lung cancer. Patients with advanced disease, however, will still require rehabilitation interventions, and this fragile population creates unique challenges. Rehabilitation professionals should look for ways to expand care to lung cancer patients, as both the number of those treated and the 5‐year survival rate are expected to increase.
Making Cancer Rehabilitation Services Work for Cancer Patients: Recommendations for Research and Practice to Improve Employment Outcomes
Authors: Alfano Catherine M. , Kent Erin E. , Padgett Lynne S. , Grimes Melvin , de Moor Janet S. 
Published: September 2017

AbstractCancer and its treatment can result in impairments that limit physical, psychosocial, and cognitive functioning, interfering with patients' ability to perform work‐related functions. Because these work limitations can carry significant personal and societal costs, there is a timely need to identify and refer patients to cancer rehabilitation services to manage adverse consequences of treatment and to preserve employment. Coordinated efforts in 3 key areas will better connect patients to rehabilitation interventions that will help optimize employment. These include the following: planning for the impact of cancer on the ability to work; implementing routine screening for impairments and facilitating referrals to cancer rehabilitation specialists; and focusing rehabilitation interventions on preserving employment. Coordinated strategies are presented to achieve these 3 goals, including the following: implementing changes to clinical practice to routinely screen for impairments; working with oncology providers and patients to better understand the benefits of cancer rehabilitation to facilitate referrals and uptake; training more cancer rehabilitation providers to handle the increased need; better coordination of care across providers and with employers; and filling research gaps needed to proactively anticipate how cancer treatment would affect work for a given patient and deploy personalized interventions to preserve the ability to work.
The Case for Prehabilitation Prior to Breast Cancer Treatment
Authors: Santa Mina Daniel , Brahmbhatt Priya , Lopez Christian , Baima Jennifer , Gillis Chelsia , Trachtenberg Lianne , Silver Julie K. 
Published: September 2017

AbstractCancer rehabilitation in breast cancer survivors is well established, and there are many studies that focus on interventions to treat impairments as well as therapeutic exercise. However, very little is known about the role of prehabilitation for people with breast cancer. In this narrative review, we describe contemporary clinical management of breast cancer and associated treatment‐related morbidity and mortality considerations. Knowing the common short‐ and long‐term sequelae, as well as less frequent but serious sequelae, informs our rationale for multimodal breast cancer prehabilitation. We suggest 5 core components that may help to mitigate short‐ and long‐term sequelae that align with consensus opinion of prehabilitation experts: total body exercise; locoregional exercise pertinent to treatment‐related deficits; nutritional optimization; stress reduction/psychosocial support; and smoking cessation. In each of these categories, we review the literature and discuss how they may affect outcomes for women with breast cancer.
Feedback Facility−Assisted Balance Training in a Patient With Multiple System Atrophy: A Case Presentation
Authors: Lee Hyo Jeong , Lee Ko Eun , Yi Tae Im , Kim Hyun Young 
Published: September 2017

AbstractMultiple system atrophy is a rare neurodegenerative disease with a poor prognosis. Furthermore, there are no pharmacological or notable rehabilitation strategies available to prevent the worsening of the disease. This case presentation assessed the outcome of feedback facility−assisted balance training in combination with physical therapy in a 61‐year‐old man. The patient participated in 30 training sessions over 6 weeks for 30 minutes each that involved balance training. His static and dynamic balance abilities were improved on the Berg Balance Scale, Trunk Impairment Scale, Functional Independence Measure, and Functional Reach. Although this patient's gait speed and muscle strength did not show improvement after training, feedback facility−assisted balance training might be a potential strategy to help reduce the rate of symptom deterioration in patients with multiple system atrophy.Level of EvidenceV
Descriptive Cadaveric Study Comparing the Accuracy of Ultrasound Versus Fluoroscopic Guidance for First Sacral Transforaminal Injections: A Comparison Study
Authors: Thompson Bradley F. , Pingree Matthew J. , Qu Wenchun , Murthy Naveen S. , Lachman Nirusha , Hurdle Mark Friedrich 
Published: September 2017

AbstractBackgroundUltrasound is rarely used for guiding lumbosacral epidural steroid injections due to its technical limitations. For example, sonographic imaging lacks the ability to confirm epidural spread and identify vascular uptake. The perceived risk that these limitations pose to human subjects has precluded any large scale clinical trials to date.ObjectiveTo compare the accuracy of ultrasound versus fluoroscopic guidance for first sacral transforaminal epidural injections.DesignCadaveric comparative study using dichotomous outcomes.SettingA fluoroscopy suite and anatomic laboratory at an academic medical center.SubjectsFour unembalmed adult human cadavers with no history of spinal surgery.MethodsEight sites were injected twice by one interventionalist, using fluoroscopic and ultrasound guidance. In the fluoroscopy arm, contrast spread was assessed using computed tomography. In the ultrasound arm, latex spread was assessed using gross anatomic dissection. Any visible evidence of epidural spread constituted a positive result.Main Outcome MeasurementsComparison of the success of obtaining epidural contrast flow was the primary outcome measure. Secondary outcome measures included average duration, rate of intravascular uptake, and quantity of intravascular uptake.ResultsAll injections performed in both the ultrasound arm and the fluoroscopy arm had positive epidural spread. The average duration was 3.03 minutes with fluoroscopy and 4.76 minutes with ultrasound. The rate of intravascular uptake was 37.5% with fluoroscopy and 50% with ultrasound. Within the ultrasound arm, greater intravascular spread and duration variability were recorded.ConclusionAlthough ultrasonography can provide reliable image guidance for cannulating the first sacral foramen in cadavers, it would have limited clinical utility due to its inability to visualize relevant neurovascular structures deep to the osseus roof and exclude intravascular uptake.Level of EvidenceIV
Cephalotrichum and related synnematous fungi with notes on species from the built environment
Authors: Woudenberg J.H.C. , Sandoval-Denis M. , Houbraken J. , Seifert K.A. , Samson R.A. 
Published: September 2017

A recent taxonomic revision of Microascaceae with an emphasis on synnematous fungi enabled re-identification of previously isolated indoor strains of Cephalotrichum. All available Cephalotrichum strains from the culture collection of the Westerdijk Institute were
studied, 20 originating from the built environment. Phylogenetic relationships were inferred from DNA sequence data from the internal transcribed spacer 1 and 2 and intervening 5.8S nrDNA (ITS), and parts of β-tubulin (tub2) and translation elongation factor 1-α (tef1)
genes. Additionally, herbarium material of 14 Cephalotrichum species described from soil in China was studied, and the taxonomy of C. album, not considered in recent revisions, was reevaluated. Sixteen phylogenetic species in Cephalotrichum are distinguished, five
described as new species: C. domesticum, C. lignatile, C. telluricum, C. tenuissimum and C. transvaalense. Five Cephalotrichum species occur in the built environment: C. domesticum, C. gorgonifer (formerly
known as Trichurus spiralis), C. microsporum, C. purpureofuscum, and C. verrucisporum. Based on the number of isolates, C. gorgonifer (nine strains) is the most common indoor species. The study of the Chinese herbarium material resulted
in the acceptance of three additional Cephalotrichum species: C. casteneum, C. ellipsoideum, and C. spirale. Four species are considered nomena dubia (C. cylindrosporum, C. macrosporum, C. ovoideum, and C. robustum),
five are placed in synonymy with other Cephalotrichum species (C. acutisporum, C. inflatum, C. longicollum, C. oblongum, C. terricola) and one species, C. verrucipes, is probably a synonym of Penicillium clavigerum.
Cephalotrichum columnare, former Doratomyces columnaris, is transferred to Kernia. Cephalotrichum album, formerly known as Doratomyces putredinis, is transferred to Acaulium and redescribed.
A virtual engineering approach to the ship-helicopter dynamic interface – a decade of modelling and simulation research at the University of Liverpool
Authors: Owen I. , White M. D. , Padfield G. D. , Hodge S. J. 
Published: September 2017

ABSTRACTThis paper reviews some of the research that has been carried out at the University of Liverpool where the Flight Science and Technology Research Group has developed its Heliflight-R full-motion research simulator to create a simulation environment for the launch and recovery of maritime helicopters to ships. HELIFLIGHT-R has been used to conduct flight trials to produce simulated Ship-Helicopter Operating Limits (SHOLs). This virtual engineering approach has led to a much greater understanding of how the dynamic interface between the ship and the helicopter contributes to the pilot's workload and the aircraft's handling qualities and will inform the conduct of future real-world SHOL trials. The paper also describes how modelling and simulation has been applied to the design of a ship's superstructure to improve the aerodynamic flow field in which the helicopter has to operate. The superstructure aerodynamics also affects the placement of the ship's anemometers and the dispersion of the ship's hot exhaust gases, both of which affect the operational envelope of the helicopter, and both of which can be investigated through simulation.