bluuebunny/crossref_metadata_2025_split huggingface dataset:
Higher order structures of Adalimumab, Infliximab and their complexes with TNFα revealed by electron microscopy
Authors: Tran Bich Ngoc , Chan Siew Leong , Ng Chloe , Shi Jian , Correia Ivan , Radziejewski Czeslaw , Matsudaira Paul 
Published: September 2017

AbstractAdalimumab and Infliximab are recombinant IgG1 monoclonal antibodies (mAbs) that bind and neutralize human tumor necrosis factor alpha (TNFα). TNFα forms a stable homotrimer with unique surface‐exposed sites for Adalimumab, Infliximab, and TNF receptor binding. Here, we report the structures of Adalimumab‐TNFα and Infliximab‐TNFα complexes modeled from negative stain EM and cryo‐EM images. EM images reveal complex structures consisting of 1:1, 1:2, 2:2, and 3:2 complexes of Adalimumab‐TNFα and Infliximab‐TNFα. The 2:2 complex structures of Adalimumab‐TNFα and Infliximab‐TNFα show diamond‐shaped profiles and the 2D class averages reveal distinct orientations of the Fab domains, indicating different binding modes by Adalimumab and Infliximab to TNFα. After separation by size exclusion chromatography and analysis by negative stain EM, the 3:2 complexes of Adalimumab‐TNFα or Infliximab‐TNFα complexes are more complicated but retain features recognized in the 2:2 complexes. Preliminary cryo‐EM analysis of 3:2 Adalimumab‐TNFα complex generated a low‐resolution density consistent with a TNFα trimer bound with three Fab domains from three individual antibody molecules, while each antibody molecule binds to two molecules of TNFα trimer. The Fc domains are not visible in the reconstruction. These results show the two mAbs form structurally distinct complexes with TNFα.
Assessing Waste Generation Efficiency in EU Regions towards Sustainable Environmental Policies
Authors: Halkos George , Petrou Kleoniki Natalia 
Published: September 2017

AbstractThis paper employs data envelopment analysis (DEA) to consider waste generation at a regional level in the European Union (EU). By doing so both good and bad outputs are taken into account and different frameworks are designed. Five parameters (waste generation, employment rate, capital formation, GDP and population density) are used for 172 EU regions and for the years 2009, 2011 and 2013. In this way four frameworks have been designed, each with different inputs and outputs. The results show the most efficient EU regions according to each framework, but it should be noted that results from different frameworks should not be compared with each other. Overall results suggest that the highest performers are regions in Belgium, Italy, Portugal and the UK. Finally, the efficiency results from DEA were reviewed against the treatment options employed in the relevant regions to assess overall sustainability of the regions examined. Findings show that, although a country might be efficient according to DEA and by taking various factors into consideration, this does not necessarily mean that regions within a country use sustainable waste treatment options, as it is essential to account for trade and shipment of waste between regions and countries as well. These findings may prove valuable for the planning of environmental policies, especially on an EU regional level. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Sorption‐Enhanced Steam Reforming of Ethylene Glycol over Dual Functional Hydrotalcite Materials Promoted with Pt and Ru
Authors: Dewoolkar Karan D. , Vaidya Prakash D. 
Published: September 2017

AbstractCatalytic steam reforming of renewable bio‐oxygenates coupled with on‐site carbon dioxide (CO2) capture is a potential option for sustainable hydrogen (H2) production. The current work focuses on high‐purity H2 production over modified hydrotalcite (HTlc) based multi‐functional hybrid materials via sorption‐enhanced steam reforming of ethylene glycol. The unpromoted hybrid material (HM1) was copper‐based HTlc, integrated with nickel. HM1 was promoted with platinum and ruthenium to yield two novel hybrid materials (Pt‐HM1 and Ru‐HM1). The performance of HM1, Pt‐HM1 and Ru‐HM1 was compared. Our lab‐made hybrid materials exhibited encouraging performance, e. g., improved H2 production, less by‐product formation, long‐term stability and no coking. Particularly, promotion of the hybrid materials with platinum and ruthenium proved beneficial, due to the high H2 concentration in the product stream (98.6 and 93.2% for Pt‐HM1 and Ru‐HM1). Interestingly, the adsorption capacity of Ru‐HM1 (1.3 mol CO2 kg sorbent−1) was higher than that of Pt‐HM1 (0.93 mol CO2 kg sorbent−1) and HM1 (0.43 mol CO2 kg sorbent−1) at their optimal conditions. The cyclic resilience of the hybrid materials was also encouraging. Ru‐HM1, Pt‐HM1 and HM1 remained durable for 22, 16 and 8 cycles, correspondingly. Finally, a likely reaction mechanism followed over the hybrid materials was proposed.
Calcium and Strontium Coordination Polymers Based on Rigid and Flexible Aromatic Dicarboxylates: Synthesis, Structure, Photoluminescence and Dielectric Properties
Authors: Balendra  , Banday Azeem , Murugavel Sevi , Kanaujia Pawan K. , Prakash G. Vijaya , Ramanan Arunachalam 
Published: September 2017

AbstractAlkaline‐earth based coordination polymers (CPs) with rigid frameworks are promising candidates for future dielectrics. During our attempts to engineer new calcium and strontium dicarboxylates under solvothermal condition, we synthesized six CPs, namely, [Sr(BDC)(DMA)(H2O)] (1), [Ca(ABDC)(DMF)] (2), [Ca(ABDC)(DMA)2/3] (3), [Sr(ABDC)(DMF)] (4), [Sr(OBA)(MF)] (5) and {[Sr(FBA)(DMA)(H2O)].(DMA)(EtOH)(H2O)]} (6) [where, BDC=1,4‐benzenedicarboxylic acid, ABDC=2‐aminoterephthalic acid, OBA=4,4’‐oxybis(benzoic acid) and FBA=4,4’‐(hexafluoroisopropylidene)bis(benzoic acid)] and established its full structures using single crystal X‐ray crystallography. A significant structural feature of all the solids was the occurrence of rigid 1D columns made of metal carboxylate coordination. All the solids showed interesting dielectric behaviour and exhibited photoluminescence with blue or bluish‐green emission.
Kinetics of Anti‐Kasha Photoreactions. Direct Excitation of a Higher Excited State
Authors: Tomin Vladimir I. , Dubrovkin Joseph M. 
Published: September 2017

AbstractExcited‐state reactions (ESR) are of overwhelming importance in chemistry, physics and biology. Kinetics and steady‐state characteristics of ESR are usually analyzed in the framework of the model, in which the first excited state of the initial form is populated. Due to the growing attention which is lately paid to the reactions excited through the energy levels higher than the first singlet level, we had developed new model of these reactions, describing the time characteristics of the normal form and the photoproduct populations. The system was excited via the higher
singlet state. Generation of reaction product from both the first
and
excited states was studied. The model of arbitrary ESR was represented as a system of linear differential equations. Precise analytical solution was firstly obtained for the general case. Numerical analysis carried out on ESR parameters made it possible to reveal the role of reverse ESR, to estimates the
state lifetime effect and the contribution of product formation due to the opening of its generation channel through the
state. Data obtained theoretically was presented in graphical form which allowed a better understanding of the mechanisms of the photochemical processes and criteria for improving the efficiency of anti‐Kasha processes.
Synthesis of Phenylselenopyrans and Lactones from Allylic Alcohols and Acids via Baylis‐Hillman Reaction
Authors: Reddy Thatikonda Narendar , Swetha Chanda , Ramesh Perla , Sridhar Balasubramanian , Jayathirtha Rao Vaidya 
Published: September 2017

AbstractA convenient, fast and high‐yielding strategy for the synthesis of phenylselenopyran and lactone derivatives from unsaturated alcohols and acids has been developed using Baylis‐Hillman acetates and phenylselenyl chloride, a procedure accompanied by the incorporation of the PhSe group into the organic framework. Furthermore, we describe an efficient modified protocol for the allylation of Baylis‐Hillman acetates using allylzinc bromide in fine yields and proceeds well in the absence of the external additive.
Superior Potassium Ion Storage via Vertical MoS2 “Nano‐Rose” with Expanded Interlayers on Graphene
Authors: Xie Keyu , Yuan Kai , Li Xin , Lu Wei , Shen Chao , Liang Chenglu , Vajtai Robert , Ajayan Pulickel , Wei Bingqing 
Published: September 2017

AbstractPotassium has its unique advantages over lithium or sodium as a charge carrier in rechargeable batteries. However, progresses in K‐ion battery (KIB) chemistry have so far been hindered by lacking suitable electrode materials to host the relatively large K+ ions compared to its Li+ and Na+ counterparts. Herein, molybdenum disulfide (MoS2) “roses” grown on reduced graphene oxide sheets (MoS2@rGO) are synthesized via a two‐step solvothermal route. The as‐synthesized MoS2@rGO composite, with expanded interlayer spacing of MoS2, chemically bonded between MoS2 and rGO, and a unique nano‐architecture, displays the one of the best electrochemical performances to date as an anode material for nonaqueous KIBs. More importantly, a combined K+ storage mechanism of intercalation and conversion reaction is also revealed. The findings presented indicate the enormous potential of layered metal dichalcogenides as advanced electrode materials for high‐performance KIBs and also provide new insights and understanding of K+ storage mechanism.
Flexible Broadband Graphene Photodetectors Enhanced by Plasmonic Cu3−xP Colloidal Nanocrystals
Authors: Sun Tian , Wang Yongjie , Yu Wenzhi , Wang Yusheng , Dai Zhigao , Liu Zeke , Shivananju Bannur Nanjunda , Zhang Yupeng , Fu Kai , Shabbir Babar , Ma Wanli , Li Shaojuan , Bao Qiaoliang 
Published: September 2017

AbstractThe integration of graphene with colloidal quantum dots (QDs) that have tunable light absorption affords new opportunities for optoelectronic applications as such a hybrid system solves the problem of both quantity and mobility of photocarriers. In this work, a hybrid system comprising of monolayer graphene and self‐doped colloidal copper phosphide (Cu3−xP) QDs is developed for efficient broadband photodetection. Unlike conventional PbS QDs that are toxic, Cu3−xP QDs are environmental friendly and have plasmonic resonant absorption in near‐infrared (NIR) wavelength. The half‐covered graphene with Cu3−xP nanocrystals (NCs) behaves as a self‐driven p–n junction and shows durable photoresponse in NIR range. A comparison experiment reveals that the surface ligand attached to Cu3−xP NCs plays a key role in determining the charge transfer efficiency from Cu3−xP to graphene. The most efficient three‐terminal photodetectors based on graphene‐Cu3−xP exhibit broadband photoresponse from 400 to 1550 nm with an ultrahigh responsivity (1.59 × 105 A W−1) and high photoconductive gain (6.66 × 105) at visible wavelength (405 nm), and a good responsivity of 9.34 A W−1 at 1550 nm. The demonstration of flexible graphene‐Cu3−xP photodetectors operated at NIR wavelengths may find potential applications in optical sensing, biological imaging, and wearable devices.
Hunting and the local food movement: Insights from central New York State
Authors: Stedman Richard C. , Larson Lincoln R. , Tidball Keith G. , Tidball Moira , Curtis Paul D. 
Published: September 2017

ABSTRACTConcerns within the conservation community about declining hunting participation and associated conservation consequences have catalyzed hunter recruitment and retention strategies targeting nontraditional hunting populations. One emerging group of interest includes individuals motived to eat food that is grown, raised, produced, or harvested locally. Sometimes referred to as “locavores,” this group has motivated many wildlife agencies and organizations to develop hunting programs focusing on their assumed desire for local wild game. However, little empirical information speaks to locavore interest in harvesting and consuming wild game. We surveyed 1 subgroup: 471 subscribers to a local food‐oriented magazine in the Finger Lakes Region of central New York, USA. Most respondents (82%) had eaten wild game at least once, though <20% of respondents did so on a regular basis. Few respondents (8%) personally harvested wild game (most [77%] received it from friends and family), and <10% were active hunters. However, 23% said they would consider hunting, and many (59%) expressed interest in learning about preparing wild game and conservation benefits associated with wild game consumption. Our findings, although limited to one particular population, suggest that, at minimum, the local foods movement could generate indirect conservation impacts through expanding social networks supporting wildlife‐based recreation. Future research should explore these possibilities and identify strategies that might foster links between different types of food‐motivated stakeholders and hunting. © 2017 The Wildlife Society.
Impact of Visceral Adiposity as Well as Sarcopenic Factors on Outcomes in Patients Undergoing Liver Resection for Colorectal Liver Metastases
Authors: Kobayashi Atsushi , Kaido Toshimi , Hamaguchi Yuhei , Okumura Shinya , Shirai Hisaya , Kamo Naoko , Yagi Shintaro , Taura Kojiro , Okajima Hideaki , Uemoto Shinji 
Published: September 2017

AbstractObjectivesWe have reported preoperative low skeletal muscularity as an independent risk factor for poor outcomes after liver transplantation, resection of hepatocellular carcinoma, pancreatic cancer and extrahepatic biliary malignancies. However, the impacts of visceral adiposity and muscularity on outcomes after liver resection for colorectal liver metastases (CLM) have not been fully investigated.MethodsWe retrospectively analyzed 124 patients undergoing primary liver resection for CLM between 2005 and 2014. Using preoperative computed tomography at the third lumbar vertebra level, skeletal muscle and abdominal adipose tissue were evaluated by skeletal muscle index (SMI), intramuscular adipose tissue content (IMAC) and visceral‐to‐subcutaneous adipose tissue area ratio (VSR), respectively. Impacts of preoperative SMI, IMAC and VSR on outcomes after liver resection for CLM were investigated.ResultsLow SMI and high VSR were not significantly associated with poor overall or recurrence‐free survivals (P = 0.324 and P = 0.106, P = 0.964 and P = 0.738, respectively). Overall survival rate tended to be lower in patients with high IMAC than in patients with normal IMAC (P = 0.054). Recurrence‐free survival rate did not differ significantly between high and normal IMAC (P = 0.721). Multivariate analysis showed that low SMI, high IMAC and high VSR were not significant risk factors for death or recurrence after liver resection for CLM.ConclusionNeither preoperative visceral adiposity nor low muscularity were poor prognostic factors in patients undergoing liver resection for CLM.
Engineering Novel Molecular Beacon Constructs to Study Intracellular RNA Dynamics and Localization
Authors: Ma Zhao , Wu Xiaotian , Krueger Christopher J. , Chen Antony K. 
Published: September 2017

Abstract
With numerous advancements in novel biochemical techniques, our knowledge of the role of RNAs in the regulation of cellular physiology and pathology has grown significantly over the past several decades. Nevertheless, detailed information regarding RNA processing, trafficking, and localization in living cells has been lacking due to technical limitations in imaging single RNA transcripts in living cells with high spatial and temporal resolution. In this review, we discuss techniques that have shown great promise for single RNA imaging, followed by highlights in our recent work in the development of molecular beacons (MBs), a class of nanoscale oligonucleotide-probes, for detecting individual RNA transcripts in living cells. With further refinement of MB design and development of more sophisticated fluorescence microscopy techniques, we envision that MB-based approaches could promote new discoveries of RNA functions and activities.
The 2016 revised ACR criteria for diagnosis of giant cell arteritis – Our case series: Can this avoid unnecessary temporal artery biopsies?
Authors: Sait Mohamed R. , Lepore Mario , Kwasnicki Richard , Allington Jonathan , Balasubramanian Rajesh , Somasundaram Santosh K. , Vashisht Rajiv , Barkeji Musa 
Published: September 2017

Abstract

Background
Temporal artery biopsy (TAB) is considered the gold standard for diagnosing Giant Cell Arteritis (GCA). The aim of this study was to compare the functional utility of the 2016 revised ACR (rACR) criteria against the original ACR criteria with a view to avoiding TABs in select groups. We also aimed to investigate the temporal relationship of positive biopsies.

Methods
A retrospective study was conducted of patients undergoing TAB from August 2014 to August 2016, at a DGH. Data collected included patient demographics, history, biochemistry, time to TAB from commencement of steroids and histology. The ACR and the rACR scores and the relative TAB results were analysed using ROC to determine statistical measures of performance. Different score thresholds were applied to propose a clinical tool to be used as an adjunct in the management of suspected GCA.

Results and Discussion
Forty two TABs were performed during this period of which 10 were males and 32 females. ROC analysis showed significant relationships between both ACR and rACR to TAB result. The AUC for rACR was 0.880 (p < 0.001) and for ACR was 0.737 (p = 0.023). The median time to TAB from referral was 10 days (IQR 6–13). The diagnostic yield was highest within 8 days (41%) of all positive biopsies.

Conclusion
This study demonstrates the potential value of the rACR criteria and a simple clinical tool is proposed to stratify relevant patients with a view to avoiding unnecessary TAB. Prolonged wait between referral to TAB is also likely to reduce its validity.

Highlights
Formaldehyde Inhibits Sexual Behavior and Expression of Steroidogenic Enzymes in the Testes of Mice
Authors: Zang Zhi-Jun , Fang You-Qiang , Ji Su-Yun , Gao Yong , Zhu Yuan-Qiang , Xia Ting-Ting , Jiang Mei-Hua , Zhang Ya-Nan 
Published: September 2017

Abstract

Background
Formaldehyde, a ubiquitous environmental pollutant, is used extensively and has been proved to impair male reproduction in mammals. However, no trials have explored whether formaldehyde affects sexual function.

Aim
To evaluate the effect of long-term formaldehyde exposure on sexual behavior and to investigate the potential mechanism.

Methods
Forty C57BL/6 male mice were randomly allocated to four equally sized groups. Mice were exposed to formaldehyde at a dose of 0 (control), 0.5, 5.0, or 10.0 mg/m3 by inhalation for 60 days.

Outcomes
Sexual behavior, body and reproductive organ weights, testosterone concentration in serum and testicular tissue, expression of steroidogenic enzymes, quality of sperm, and testicular structure were measured.

Results
Formaldehyde inhibited sexual behavior and decreased reproductive organ weights in mice. Serum testosterone levels and intratesticular testosterone concentrations were decreased in the formaldehyde-treated groups. Expression levels of steroidogenic enzymes, including steroidogenic acute regulatory protein, cytochrome P450 cholesterol side-chain cleavage enzyme, and 3β-hydroxysteroid dehydrogenase (3β-HSD), also were decreased in the testes of mice exposed to formaldehyde. Moreover, the structure of seminiferous tubules was destroyed and sperm quality decreased after formaldehyde exposure. In addition, the results indicated that the effects of formaldehyde were dose dependent.

Clinical Implications
Efforts should be undertaken to decrease impairment of sexual function caused by formaldehyde exposure.

Strengths and Limitations
The relatively small sample might have affected the outcomes. Further experiments are needed to study the mechanism of action of formaldehyde.

Conclusion
Exposure to formaldehyde gas inhibited sexual behavior, caused reproductive organ atrophy, and impaired spermatogenesis in male mice, which might have been induced by suppressed expression of steroidogenic enzymes in Leydig cells and decreased testosterone synthesis.
Predictors of chronic neuropathic pain after scoliosis surgery in children
Authors: Julien-Marsollier Florence , David Raphaelle , Hilly Julie , Brasher Christopher , Michelet Daphné , Dahmani Souhayl 
Published: September 2017

Abstract

Background
Numerous publications describe chronic pain following surgery in both adults and children. However, data in the paediatric population are still sparse and both prevalence of chronic pain after surgery and risk factors of this complication still undetermined.

Methods
We prospectively evaluated the prevalence of chronic pain and its neuropathic pain component at 1 year following correction of idiopathic scoliosis in children less than 18 years of age. Pain was defined as the presence of pain (numerical rating scale – NRS ≥4), the presence of signs of neurologic damage within the area of surgery and the presence of the neuropathic symptoms as a DN4 (Douleur Neuropathique 4) questionnaire ≥4. Factors investigated as potentially associated with the presence of a persistent neuropathic pain were: age, weight, the presence of continuous preoperative pain over the 3 months before surgery, surgical characteristics, pain scores during the first five postoperative days, and DN4 at day 3. Statistical analysis employed univariate analysis and a multivariate logistic regression model.

Results
Thirty six patients were included in the study. Nineteen (52.8%) had pain at one year after surgery. Among them 17 (48.2%) had neuropathic pain. Logistic regression found continuous pain over the 3 months preceding surgery and day 1 morphine consumption ≥0.5 mg kg-1 as independent predictors of persistent chronic pain with a neuropathic component. The overall model accuracy was 80.6 and the area under the curve of the model was 0.89 (95% confidence interval 0.78–0.99).

Conclusions
The present study found a high proportion of paediatric patients developing chronic persistent pain after surgical correction of scoliosis diformity. It allows identifying two factors associated with the occurrence of persistent chronic pain with a neuropathic component: the presence of persistent preoperative pain during the 3 months preceeding surgery and postoperative opioid consumption at day 1 –;0.5 mg kg-1

Implication
Patients scheduled for spine surgery and presenting with preoperative pain should be considered at risk of chronic pain after surgery and managed accordingly by the chronic and/or acute pain team. Postoperative opioid consumption should be lowered as possible by using multimodal analgesia and regional analgesia such as postoperative epidural analgesia.
Rapid gust response simulation of large civil aircraft using computational fluid dynamics
Authors: Bekemeyer P. , Thormann R. , Timme S. 
Published: September 2017

ABSTRACTSeveral critical load cases during the aircraft design process result from atmospheric turbulence. Thus, rapidly performable and highly accurate dynamic response simulations are required to analyse a wide range of parameters. A method is proposed to predict dynamic loads on an elastically trimmed, large civil aircraft using computational fluid dynamics in conjunction with model reduction. A small-sized modal basis is computed by sampling the aerodynamic response at discrete frequencies and applying proper orthogonal decomposition. The linear operator of the Reynolds-averaged Navier-Stokes equations plus turbulence model is then projected onto the subspace spanned by this basis. The resulting reduced system is solved at an arbitrary number of frequencies to analyse responses to 1-cos gusts very efficiently. Lift coefficient and surface pressure distribution are compared with full-order, non-linear, unsteady time-marching simulations to verify the method. Overall, the reduced-order model predicts highly accurate global coefficients and surface loads at a fraction of the computational cost, which is an important step towards the aircraft loads process relying on computational fluid dynamics.