bluuebunny/crossref_metadata_2025_split huggingface dataset:
Plant Proteogenomics: Improvements to the Grapevine Genome Annotation
Authors: Chapman Brett , Bellgard Matthew 
Published: September 2017

AbstractGrapevine is an important perennial fruit to the wine industry, and has implications for the health industry with some causative agents proven to reduce heart disease. Since the sequencing and assembly of grapevine cultivar Pinot Noir, several studies have contributed to its genome annotation. This new study further contributes toward genome annotation efforts by conducting a proteogenomics analysis using the latest genome annotation from CRIBI, legacy proteomics dataset from cultivar Cabernet Sauvignon and a large RNA‐seq dataset. A total of 341 novel annotation events are identified consisting of five frame‐shifts, 37 translated UTRs, 15 exon boundaries, one novel splice, nine novel exons, 159 gene boundaries, 112 reverse strands, and one novel gene event in 213 genes and 323 proteins. From this proteogenomics evidence, the Augustus gene prediction tool predicted 52 novel and revised genes (54 protein isoforms), 11 genes of which are associated with key traits such as stress tolerance and floral and fruity wine characteristics. This study also highlights a likely over‐assembly with the genome, particularly on chromosome 7.
ExSTA: External Standard Addition Method for Accurate High‐Throughput Quantitation in Targeted Proteomics Experiments
Authors: Mohammed Yassene , Pan Jingxi , Zhang Suping , Han Jun , Borchers Christoph H. 
Published: September 2017

PurposeTargeted proteomics using MRM with stable‐isotope‐labeled internal‐standard (SIS) peptides is the current method of choice for protein quantitation in complex biological matrices. Better quantitation can be achieved with the internal standard‐addition method, where successive increments of synthesized natural form (NAT) of the endogenous analyte are added to each sample, a response curve is generated, and the endogenous concentration is determined at the x‐intercept. Internal NAT‐addition, however, requires multiple analyses of each sample, resulting in increased sample consumption and analysis time.Experimental designTo compare the following three methods, an MRM assay for 34 high‐to‐moderate abundance human plasma proteins is used: classical internal SIS‐addition, internal NAT‐addition, and external NAT‐addition—generated in buffer using NAT and SIS peptides. Using endogenous‐free chicken plasma, the accuracy is also evaluated.ResultsThe internal NAT‐addition outperforms the other two in precision and accuracy. However, the curves derived by internal vs. external NAT‐addition differ by only ≈3.8% in slope, providing comparable accuracies and precision with good CV values.Conclusions and clinical relevanceWhile the internal NAT‐addition method may be “ideal”, this new external NAT‐addition can be used to determine the concentration of high‐to‐moderate abundance endogenous plasma proteins, providing a robust and cost‐effective alternative for clinical analyses or other high‐throughput applications.
Comparison of a new air‐assisted sprayer and two conventional sprayers in terms of deposition, loss to the soil and residue of azoxystrobin and tebuconazole applied to sunlit greenhouse tomato and field cucumber
Authors: Li Yanjie , Li Yifan , Pan Xiang , Li Qing X , Chen Ronghua , Li Xuesheng , Pan Canping , Song Jianli 
Published: September 2017

AbstractBACKGROUNDPlant protection products (PPPs) are applied in China and many other developing countries with knapsack sprayers at high volumes with coarse spray quality, resulting in a high percentage of pesticide losses. In this study, a new air‐assisted electric knapsack sprayer and two conventional knapsack sprayers were evaluated in terms of pesticide deposition, residues and loss into the soil. Artificial targets fixed to the upper side and underside of the leaf surface in six zones (at two depths and three heights) were used to collect the deposition, which were analyzed by liquid chromatography triple‐quadrupole mass spectrometry.RESULTSThe air‐assisted electric knapsack sprayer produced more deposition and better penetrability and uniformity than the two traditional spraying methods. In particular, the air‐assisted electric knapsack sprayer reduced pesticide losses to the soil by roughly 37% to 75% and deposited 1.18 and 1.24 times more pesticide than the manual air‐pressure and battery‐powered knapsack sprayers, respectively. The residues of azoxystrobin and tebuconazole in tomato and cucumber were below the maximum residue limits (MRLs).CONCLUSIONIn general, use of the the air‐assisted electric knapsack sprayer in tomato and cucumber crops could improve the effectiveness of PPPs, reduce the risk of contamination and protect food safety. © 2017 Society of Chemical Industry
Suitable Interplay between Various Conventional and Unconventional Non‐Covalent Interactions in Forming Self‐Assembled Supramolecules of Two Ni(II)/Zn(II) Schiff Base Complexes
Authors: Roy Sourav , Drew Michael. G. B. , Frontera Antonio , Chattopadhyay Shouvik 
Published: September 2017

AbstractTwo compartmental Schiff bases, H2L1[N,N′‐bis(3‐ethoxysalicylidene)propane‐1,3‐diamine] and H2L2[N,N′‐bis(3‐ethoxysalicylidene)‐2,2‐dimethylpropane‐1,3‐diamine], have been utilized to prepare two new hetero‐dinuclear nickel(II)/zinc(II) complexes, [(DMSO)2NiL1Zn(NCS)2] (1) and [NiL2Zn(NCS)2] (2) respectively. Both complexes have been characterized by elemental and spectral analysis and single crystal X‐ray diffraction. Nickel(II) is located in the inner compartment while zinc(II) is positioned in the outer compartment in both complexes. Supramolecular interactions have been explored for both complexes. Hirshfeld surface analysis has been used for visually analyzing intermolecular C−H⋅⋅⋅O (hydrogen bonding), π‐π stacking, conventional C−H⋅⋅⋅π(arene) and unconventional C−H⋅⋅⋅π(SCN) interactions in the crystal structures. Theoretical studies on the formation of C−H⋅⋅⋅O (hydrogen bonding), π‐π stacking, conventional C−H⋅⋅⋅π(arene) and unconventional C−H⋅⋅⋅π(SCN) interactions in the solid state X‐ray structures of both complexes have been performed using the Gaussian‐09 and M06‐2X/6‐31+G* level of theory.
Poly(N‐octadecylaniline) Synthesized at the Air‐Water Interface: Aligned Nanofibers and Gold Nanocomposite Assembly via the Langmuir‐Blodgett Technique
Authors: Maganti Lasya , Radhakrishnan T. P. 
Published: September 2017

AbstractMorphological and organizational control afforded by polymerization at the air‐water interface, and the unique structural features of poly(N‐alkylaniline)s are exploited in the fabrication of the polymer and polymer‐nanoparticle composites in micro and nanofiber (ultrathin film) forms. While ammonium peroxodisulfate as the oxidizer provides poly(N‐octadecylaniline) (PNOA), chloroauric acid leads to the nanocomposite, PNOA_Au. Experiments using relatively larger amounts of the monomer in a petri‐dish produced PNOA and PNOA_Au microfibers that could be characterized using spectroscopy, microscopy and electrical conductivity measurement. Polymerization in monolayer Langmuir films under surface pressure control in a Langmuir‐Blodgett (LB) trough, allowed the kinetics to be monitored, and ultrathin films of PNOA and PNOA_Au to be fabricated. The PNOA LB film shows nanofibers with twists, turns and helical segments, aligned parallel to the direction of monolayer compression; a computational model suggests a helical chain structure for PNOA formed at the interface. The polymer nanofibers are decorated with Au nanoparticles in the PNOA_Au film.
Microwave Irradiation of PC3 Cells at Constant Culture Temperature Alters the Incorporation of BODIPY into Cells and Reduction of MTT
Authors: Mazinani Sina Atrin , Moradi Fereshteh , Stuart Jeffrey A. , Yan Hongbin 
Published: September 2017

AbstractThe present study investigated the impact of 10 W microwave irradiation at 2.45 GHz on the cell viability and membrane properties of human prostate cancer PC3 cells, while the temperature of the cell cultures was maintained at 37±2 °C through simultaneous cooling. Microwave irradiation under these conditions did not induce apoptosis, nor otherwise lead to loss of cell viability, as indicated by 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide (MTT), Annexin–V, and propidium iodide assays. Interestingly however, incorporation of BODIPY (4,4‐difluoro‐5‐methyl‐4‐bora‐3a,4a‐diaza‐s‐indacene) 3‐dodecanoic acid into the cell membrane was facilitated by microwave treatment at constant temperature. Also, constant temperature microwave treatment significantly increased the rate of reduction of MTT. Taken together, these results suggest that constant temperature microwave, while non‐lethal to PC3 cells, may alter membrane properties.
Electrosynthesis of Nanostructured, Imprinted Poly(hydroxymethyl 3,4‐ethylenedioxythiophene) for the Ultrasensitive Electrochemical Detection of Urinary Progesterone
Authors: Luo Shyh‐Chyang , Thomas James L. , Guo Han‐Zhang , Liao Wei‐Tang , Lee Mei‐Hwa , Lin Hung‐Yin 
Published: September 2017

AbstractElectrochemically synthesized polymers are used in molecular imprinting for chemical sensing and are attractive for use in the rapid preparation of low‐cost sensing electrodes. The electropolymerization of certain novel monomers, such as 3,4‐ethylenedioxythiophene (EDOT), results in electrically conducting polymers (ECPs) that give substantially improved biosensor performance. In this work, EDOT and hydroxymethyl EDOT (EDOT‐OH) were electrochemically copolymerized to optimize the imprinting effectiveness of progesterone; the imprinting effectiveness is defined as the ratio of the peak electrochemical response of molecularly imprinted polymers (MIPs) to that of non‐imprinted polymers (NIPs). Interestingly, three different kinds of microstructures were observed: porous, “belt”, and tubular structures. Copolymerization, however, did not increase the effectiveness of imprinting over that obtained with pure PEDOT or p(EDOT‐OH). Finally, urine samples and the interferences that are present in urine (such as creatinine, urea, testosterone and 17β‐estradiol) were examined to determine the selectivity of these sensors. The limit of detection (LOD) of this progesterone sensor was less than 1.0 fg/mL, and the linear range was from 0.1 fg/mL to 0.1 ng/mL.
Effect of Pyridine Addition on the Efficiency of Copper‐Mediated Radiofluorination of Aryl Pinacol Boronates
Authors: Antuganov Dmitrii , Zykov Michail , Timofeeva Ksenija , Antuganova Yulija , Orlovskaya Victoriya , Krasikova Raisa 
Published: September 2017

AbstractThe rise of the transition‐metal‐mediated and/or catalyzed radiofluorination reactions has led us to investigate possibilities for the improvement of the radiolabeling yields of pinacol esters of arylboronic acids (arylBPin) in the presence of Cu(OTf)2(py)4. Addition of small amounts pyridine to the reaction medium with DMF as a solvent and [18F]F−/K222Cs+complex as [18F]fluoride source was shown to have a significant positive effect on the radiofluorination yields. The effect was investigated in depth using 4‐biphenylboronic acid pinacol ester as a model compound, with up to 20 % increase in radiochemical conversion observed at optimized conditions. Maximum effect was observed at pyridine‐to‐catalyst ratio of 30:1. The findings were applied to a representative electron‐rich ring systems that are traditionally difficult or impossible to radiolabel with nucleophilic fluoride, leading to products such as 2‐[18F]fluoroanisole and protected 4‐L‐[18F]fluorophenylalanine. Given the ever‐present pressure to develop new methods for introduction of fluorine‐18 into various substrates to facilitate easy and robust production of clinically‐relevant radiotracers for PET imaging we believe our findings can be of significant practical interest for radiofluorination of ortho‐substituted substrates in particular.
HPAs and POM‐based ILs Catalyzed Effective Conversion of Furfuryl Alcohol to Alkyl Levulinate
Authors: Hao Rui , He Jianghua , Zhao Lun , Zhang Yuetao 
Published: September 2017

AbstractHere we represented the heteropoly acids (HPAs) and polyoxometalate (POM)‐based ionic liquids (ILs) catalyzed the effective alcoholysis of furfural alcohol (FAL) to alkyl levulinate. H5AlW12O40 exhibited the highest catalytic activity among HPAs, furnishing > 99 % FAL conversion and 80 % yield of butyl levulinate (BL). The incorporation of IL framework containing sulfate group into HPAs resulted in the enhanced catalytic performance. [MIMBS]5[AlW12O40] achieved the highest BL yield of 94 % and maintained a good catalytic activity after 6 times of recycle and reuse experiments. The effect of the Hammett acidity and structure of catalyst on the catalytic performance of HPAs and POM‐based ILs was also investigated.
Activity Tuning of Cobalt Ferrite Nanoparticles Anchored on N‐Doped Reduced Graphene Oxide as a Potential Oxygen Reduction Electrocatalyst by Zn Substitution in the Spinel Matrix
Authors: Kashyap Varchaswal , Singh Santosh K. , Kurungot Sreekumar 
Published: September 2017

AbstractDevelopment of highly efficient and durable ORR catalysts by using non‐platinum group metals (such as Co, Fe, Mn, and Zn) is a challenging task in the forward path towards the realization of low‐cost energy devices in the commercial stream. The present work deals with an effective strategy wherein an efficient Pt‐free electrocatalyst for oxygen reduction reaction (ORR) is prepared by stoichiometrically substituting some fraction of Fe with Zn in cobalt ferrite and anchoring these spinel nanoparticles on nitrogen doped reduced graphene oxide (N‐rGO). Zn substitution is found to be significantly altering the ratio of Fe2+/Fe3+ in the cobalt ferrite nanocrystal system with a concomitant promotional influence on its electrocatalytic activity towards ORR. The nanoparticle composition with a Co, Fe and Zn molar ratio of 1.0:1.7:0.3, represented by the formula CoFe1.7Zn0.3O4(CFZn(0.3)), supported over N‐rGO has shown 10 mV and 20 mV positive shift in the onset and half‐wave potentials, respectively, for ORR in 0.1 M KOH in comparison to the nanoparticles of CoFe2O4 supported over N‐rGO (CF/N‐rGO). The optimum Zn substitution is found to be narrowing down the difference with the state‐of‐the‐art Pt/C for ORR by 100 and 110 mV in terms of the onset and half‐wave potentials, respectively. Most significantly, the homemade catalyst is found to be clearly outperforming the Pt catalyst in terms of the limiting current density and electrochemical durability.
Model Studies toward the Total Synthesis of Thebaine by an Intramolecular Cycloaddition Strategy
Authors: Koukal Petr , Hájíček Josef , Gupta Setu , Hudlický Tomáš 
Published: September 2017

AbstractThree model compounds required for an approach to thebaine by intramolecular [4+2] cycloaddition were prepared. In the first two cases the anticipated cycloaddition products were obtained under thermal conditions. Thermolysis of the third, more advanced model compound, afforded products resulting from rearrangements and/or elimination. A study of analogous intra‐ and intermolecular reactions using benzofuran as dienophile and various electron‐poor and electron‐rich dienes (pyridazines, pyranones, Danishefsky diene) was undertaken.
Synthesis of Indeno[b]indole and Naphtho[a]carbazole Derivatives Involving Diels‐Alder Reaction of Isobenzofurans
Authors: Sankar Elumalai , Karunakaran Jayachandran , Dhivyapirabha Loganathan , Mohanakrishnan Arasambattu K. 
Published: September 2017

AbstractDiels‐Alder reaction of 1,3‐diarylisobenzofurans with cyclopenten‐1‐one as well as 2‐cyclohexen‐1‐one in the presence of TMSOTf in DCM at 0 °C furnished 4,5‐diarylbenzo[e]inden‐1‐ones and 6,7‐diarylbenzo[f]α‐tetralones. The benzo[e]inden‐1‐ones/benzo[f]α‐tetralones upon Fischer indolization led to the formation of indeno[b]indoles and dihydronaphtho[a]carbazoles, respectively.
Efficient Photocatalytic Hydrogen Evolution via Band Alignment Tailoring: Controllable Transition from Type‐I to Type‐II
Authors: Cheng Zhongzhou , Wang Fengmei , Shifa Tofik Ahmed , Jiang Chao , Liu Quanlin , He Jun 
Published: September 2017

AbstractConsidering the sizable band gap and wide spectrum response of tin disulfide (SnS2), ultrathin SnS2 nanosheets are utilized as solar‐driven photocatalyst for water splitting. Designing a heterostructure based on SnS2 is believed to boost their catalytic performance. Unfortunately, it has been quite challenging to explore a material with suitable band alignment using SnS2 nanomaterials for photocatalytic hydrogen generation. Herein, a new strategy is used to systematically tailor the band alignment in SnS2 based heterostructure to realize efficient H2 production under sunlight. A Type‐I to Type‐II band alignment transition is demonstrated via introducing an interlayer of Ce2S3, a potential photocatalyst for H2 evolution, between SnS2 and CeO2. Subsequently, this heterostructure demonstrates tunability in light absorption, charge transfer kinetics, and material stability. The optimized heterostructure (SnS2–Ce2S3–CeO2) exhibits an incredibly strong light absorption ranging from deep UV to infrared light. Significantly, it also shows superior hydrogen generation with the rate of 240 µmol g−1 h−1 under the illumination of simulated sunlight with a very good stability.
Cadmium Chalcogenide Nano‐Heteroplatelets: Creating Advanced Nanostructured Materials by Shell Growth, Substitution, and Attachment
Authors: Kormilina Tatiana K. , Cherevkov Sergei A. , Fedorov Anatoly V. , Baranov Alexander V. 
Published: September 2017

AbstractThe current direction in the evolution of 2D semiconductor nanocrystals involves the combination of metal and semiconductor components to form new nanoengineered materials called nano‐heteroplatelets. This Review covers different heterostructure architectures that can be applied to cadmium chalcogenide nanoplatelets, including variously shaped shell, metal nanoparticle decoration, and doped and alloy systems. Here, for the first time a complete classification of nano‐heteroplatelet types is provided with recommended notations and a systematization of the existing knowledge and experience concerning heterostructure formation techniques, addressing the morphology, optoelectronic and magnetic properties, and novel features of different heterostructures. This Review is also devoted to possible applications of these heterostructures and of one‐component nanoplatelets in multiple fields, including light‐emitting devices and biological imaging.
Scaling Marker Position Determines the Accuracy of Digital Templating for Total Hip Arthroplasty
Authors: Ramme Austin J. , Fisher Nina D. , Egol Jonathan , Chang Gregory , Vigdorchik Jonathan M. 
Published: September 2017

Background Digital templating systems foster patient-specific measurements for preoperative planning. Questions/Purposes We aim (1) to verify the accuracy of a templating system, (2) to describe the effects of scaling marker position on the accuracy of digital templating of the hip, and (3) to provide a practical guide for scaling marker position using patient body mass index (BMI). Methods A scaling sphere was placed in five positions along the anterior-posterior axis of an acetabular implant and pelvis phantom, and x-rays were obtained. Each radiograph was templated for the acetabular component and recorded. A retrospective review identified CT scans of preoperative hip arthroplasty cases. The center of the greater trochanter was calculated from these CT scans as the percent distance from the anterior thigh and recorded with the patient's BMI. Results By centering the scaling sphere on the acetabular component, an accurate cup size was achieved. A difference of 3.5 cm in sphere placement resulted in a full cup size magnification error. Positioning the scaling sphere at the level of the pubic symphysis resulted in a difference of four cup sizes. This patient population had an average BMI of 28.72 kg/m2 (standard deviation 6.26 kg/m2) and an average position of the center of the greater trochanter of 51% (standard deviation of 6%) from the anterior surface of thigh. Conclusions Digital templating relies on scaling marker position to accurately estimate implant size. Based on the findings in this study, scaling markers for hip imaging should be placed laterally, mid-thigh in the anterior-posterior direction for patients with a BMI between 25 and 40 kg/m2. If abnormal hip anatomy or extremes of BMI are discovered, then scaling sphere positioning should be optimized on a case-by-case basis. Digital templating systems for total hip arthroplasty must use precisely placed scaling markers at the level of the hip joint to allow for accurate implant size estimation.
Epidemiology of Cervical Spine Injuries in High School Athletes Over a Ten‐Year Period
Authors: Meron Adele , McMullen Christopher , Laker Scott R. , Currie Dustin , Comstock R. Dawn 
Published: September 2017

AbstractBackgroundMore than 7 million athletes participate in high school sports annually, with both the benefits of physical activity and risks of injury. Although catastrophic cervical spine injuries have been studied, limited data are available that characterize less‐severe cervical spine injuries in high school athletes.ObjectiveTo describe and compare cervical spine injury rates and patterns among U.S. high school athletes across 24 sports over a 10‐year period.DesignDescriptive epidemiology study.SettingNational sample of high schools participating in the High School Reporting Information Online injury surveillance system.ParticipantsAthletes from participating schools injured in a school sanctioned practice, competition, or performance during the 2005–2006 through 2014–2015 academic years.MethodsCervical spine injury data captured by the High School Reporting Information Online system during the 10‐year study period were examined. Cervical spine injury was defined as any injury to the cervical spinal cord, bones, nerves, or supporting structures of the cervical spine including muscles, ligaments, and tendons.Main Outcome MeasurementsCervical spine injury rates, diagnoses, mechanisms, and severities.ResultsDuring the study period, 1080 cervical spine injuries were reported during 35,581,036 athlete exposures for an injury rate of 3.04 per 100,000 athlete exposures. Injury rates were highest in football (10.10), wrestling (7.42), and girls' gymnastics (4.95). Muscle injuries were most common (63.1%), followed by nerve injuries (20.5%). A larger proportion of football injuries were nerve injuries compared with all other sports (injury proportion ratio 3.31; confidence interval 2.33‐4.72), whereas in boys' ice hockey fractures represented a greater proportion of injuries compared with all other sports (injury proportion ratio 7.64; confidence interval 2.10‐27.83). Overall, the most common mechanisms of injury were contact with another player (70.7%) and contact with playing surface (16.1%).ConclusionsCervical spine injury rates and patterns vary by sport and gender. Characterizing these differences is the first step in developing effective, evidence‐based prevention guidelines.Level of EvidenceIV