bluuebunny/crossref_metadata_2025 huggingface dataset:
Role of palmitoylation of cysteine 415 in functional coupling CB1 receptor to Gαi2 protein
Authors: Oddi Sergio , Totaro Antonio , Scipioni Lucia , Dufrusine Beatrice , Stepniewski Tomasz Maciej , Selent Jana , Maccarrone Mauro , Dainese Enrico
Published: July 2017

In this study, we investigated the role of CB1 palmitoylation in modulating the functional interaction with G proteins both in the absence and presence of agonist binding. Our data show that the nonpalmitoylated CB1 receptor significantly reduced its association with Gαi2. The agonist stimulation induced a partial dissociation of Gαi2 proteins from the wild‐type receptor, while on the C415A mutant the agonist binding was not able to induce a significant dissociation of Gαi2 from the receptor. The lack of palmitoyl chain seems to hamper the ability of the receptor to functionally interact with the Gαi2 and indicate that the palmitoyl chain is responsible for the functional transmission of the agonist‐induced conformational change in the receptor of the G protein. These data were further corroborated by molecular dynamics simulations. Overall these results suggest that palmitoylation of the CB1 receptor finely tunes its interaction with G proteins and serves as a targeting signal for its functional regulation. Of note, the possibility to reversibly modulate the palmitoylation of CB1 receptor may offer a coordinated process of regulation and could open new therapeutic approaches.
Role of Q177A and K173A/Q177A substitutions in thermostability and activity of the ELBn12 lipase
Authors: Farrokh Parisa , Yakhchali Bagher , Karkhane Ali Asghar
Published: July 2017

Thermostable lipases have many applications in detergent industries and in organic synthesis. There are many ways to improve thermal stability of enzymes, for example, higher hydrophobicity, greater structural packing, higher content of the charged residues, and lower thermolabile ones. In this study, thermolabile Gln (sensitive to higher temperatures) was substituted with Ala in native ELBn12 and mutated K173A lipases to examine its effect on thermal stability and activity of the lipases. Single (Q177A) and double mutants (K173A/Q177A) were expressed in Escherichia coli pLysS. The Q177A variant increased both activity and thermostability of the lipase, whereas K173A/Q177A had a negative effect on the lipase activity and only had better thermal stability than the native at 50 °C. pH stability of the double mutant between 9.0 and 11 was also lower than the other variants. Stability analysis in the presence of chemicals showed that Q177A mutant had better activity with 50% (v/v) organic solvents. On the other hand, K173A lipase showed increased activity with 1% (w/v) nonionic surfactant, and finally K173A/Q177A had better stability with 10 mM metal ions compared to the native lipase.
Discrimination of Polygoni Multiflori radix and Cynanchi Auriculati radix using ultra‐high performance liquid chromatography fingerprints and chemical pattern recognition
Authors: Sun Lili , Wang Meng , Liu Yali , Zhang Huijie , Liu Yanan , Ren Xiaoliang , Deng Yanru
Published: July 2017

In this work, a strategy was proposed to discriminate Polygoni Multiflori Radix (PMR) and its adulterant (Cynanchi Auriculati Radix, CAR). Ultra‐high performance liquid chromatography (UHPLC) fingerprints were established to analyze samples containing PMR, CAR and mixtures simultaneously. Multivariate classification methods were applied to analyze the obtained UHPLC fingerprints, including principal component analysis (PCA), partial least square discriminant analysis (PLS‐DA), soft independent modeling of class analogy (SIMCA), support vector machine discriminant analysis (SVMDA) and counter‐propagation artificial neural network (CP‐ANN). A plot of PCA score showed that PMR and CAR samples belonged to separate clusters (PMR class and CAR class), and samples of mixtures were located near PMR or CAR classes. Analysis by PLS‐DA, SVMDA and CP‐ANN performed well for recognition and prediction in terms of PMR and CAR samples. Moreover, the PLS‐DA method performed best in the detection of adulterated samples, even if the adulterant was about 25%.
A Chemoproteomics Approach to Investigate Phosphopantetheine Transferase Activity at the Cellular Level
Authors: Konno Sho , Ishikawa Fumihiro , Suzuki Takehiro , Dohmae Naoshi , Kakeya Hideaki , Tanabe Genzoh
Published: July 2017

Phosphopantetheinylation is an essential post‐translational protein modification to primary and secondary metabolic pathways that ensures bacterial cell viability and virulence, and it is used in the production of many pharmaceuticals. Traditional methods have not provided a comprehensive understanding of these modifications. By using chemical proteomic probes for adenylation and thiolation domains in nonribosomal peptide synthetases (NRPSs), chemoproteomics has been applied to survey and validate the cellular activity of 4‐[3‐chloro‐5‐(trifluoromethyl)pyridin‐2‐yl]‐N‐(4‐methoxypyridin‐2‐yl)piperazine‐1‐carbothioamide (ML267), which is a potent and selective small‐molecule 4′‐phosphopantetheinyl transferase (PPTase) inhibitor that attenuates secondary metabolism and viability of bacterial cells. ML267 inhibited Sfp‐type PPTase and antagonized phosphopantetheinylation in cells, which resulted in a decrease in phosphopantetheinylated NRPSs and the attenuation of Sfp‐PPTase‐dependent metabolite production. These results indicate that this chemoproteomics platform should enable a precise interpretation of the cellular activities of Sfp‐type PPTase inhibitors.
Prevalence, correlates, and impact of coronary calcification on adverse events following PCI with newer‐generation DES: Findings from a large multiethnic registry
Authors: Copeland‐Halperin Robert S. , Baber Usman , Aquino Melissa , Rajamanickam Anitha , Roy Swathi , Hasan Choudhury , Barman Nitin , Kovacic Jason C. , Moreno Pedro , Krishnan Prakash , Sweeny Joseph M. , Mehran Roxana , Dangas George , Kini Annapoorna S. , Sharma Samin K.
Published: July 2017

Objectives

We sought to determine the prevalence, predictors, and clinical impact of target lesion calcification in patients undergoing percutaneous coronary intervention (PCI) with newer generation drug‐eluting stents (DES) and devices.

Background

Coronary calcification is independently associated with adverse outcomes following PCI. While newer DES and contemporary devices are considered safer and more efficacious, their influence on outcomes following PCI of heavily calcified lesions is unknown.

Methods

We performed a retrospective analysis of a large, multiethnic cohort of patients undergoing PCI with new generation DES at an academic center between 2009 and 2013. Coronary calcification was qualitatively assessed as none/mild, moderate, or severe. Independent demographic, clinical, and anatomic predictors of moderate/severe calcification were identified using logistic regression. Associations between coronary calcification and 1‐year MACE (death, myocardial infarction, or target vessel revascularization) were examined using Cox modeling.

Results

Compared to patients with none/mild (n = 10,180; 82.0%), those with moderate (n = 1,271; 10.0%) or severe (n = 994; 8.0%) calcification were older, more often Caucasian, had more complex target lesions, and worse renal function. The strongest demographic, clinical, and anatomic correlates of moderate/severe calcification were age, Caucasian race, renal dysfunction, lesion length, and left main location. Unadjusted MACE rates among those with none/mild, moderate, and severe calcification were 8.3, 14.6, and 17.8%, respectively (P < 0.001). After multivariable adjustment, the hazard ratio (95% CI) for MACE associated with moderate or severe coronary calcification was 1.63.

Conclusions

Target lesion calcification remains independently associated with adverse outcomes in patients treated with newer generation DES and modern devices.
Experimental Investigation on Gas‐Solid Behavior in Fluidized Beds with Superfine Particles
Authors: Goshima Takashi , Yoshida Yumi , Shimazaki Kouya , Fukudome Kenta , Mizuta Kei , Nii Susumu
Published: July 2017

Fluidized beds are commercially utilized in gas‐solid contacting processes such as the fluid catalytic cracking (FCC) process. Attempts have been made for bubbling fluidized beds to enhance the gas exchange between the bubble phase and the emulsion phase as well as to increase bubble holdup. Low‐density superfine particles 5070S were selected with average diameters of about 10 μm. Unlike agglomerate particulate fluidization of superfine particles on which other researchers have reported, the smaller bubbles, whose diameter is less than 10 mm, uniformly dispersed in the whole bed. Additionally, the gas exchange rate with 5070S became larger than with the FCC particles. Such a unique gas‐solid behavior is probably due to the proper density difference between particle aggregate and fluidizing gas.
Dropwise Condensation on Advanced Functional Surfaces – Theory and Experimental Setup
Authors: Sablowski Jakob , Unz Simon , Beckmann Michael
Published: July 2017

Compared to filmwise condensation on conventional condenser surfaces, heat transfer can be significantly enhanced by tuning the wettability of the surface to promote dropwise condensation. Following rapid advances in surface engineering, the last years have seen an unprecedented interest in dropwise condensation research. This brief review highlights recent advances in theory and experimental investigation regarding dropwise condensation on smooth hydrophobic surfaces, micro‐ and nanostructured superhydrophobic surfaces, biphilic surfaces with patterned wettability, and lubricant‐infused surfaces.
Functionalized Acupuncture Needle as Surface‐Enhanced Resonance Raman Spectroscopy Sensor for Rapid and Sensitive Detection of Dopamine in Serum and Cerebrospinal Fluid
Authors: Li Pan , Zhou Binbin , Cao Xiaomin , Tang Xianghu , Yang Liangbao , Hu Ling , Liu Jinhuai
Published: July 2017

It is a challenge to develop a robust sensor for simple, rapid operation and sensitive detection of neurotransmitters in complex specimens. Herein, ferric citrate functionalized gold nanoparticles (CA‐FeIII/Au NPs) are utilized to develop a facile sensor based on surface‐enhanced resonance Raman spectroscopy (SERRS) for sensitive detection of dopamine (DA). The sensor is prepared by decorating the acupuncture needle with Au NPs, which enables sufficient surface‐enhanced Raman spectroscopy enhancement. The CA‐FeIII structure is highly sensitive and selective for DA due to the formation of the CA‐FeIII‐DA resonant structure; this indicates the advantages of capturing, carrying, and separating DA molecules from complicated samples in a simple operation. Furthermore, the practical application of the fabricated sensor is validated by the detection of DA in pretreated serum and cerebrospinal fluid of acupuncture‐treated mice with detection limits of 0.1 and 2.5 nm DA, respectively. The developed active acupuncture needle sensor has potential benefits for sensitive detection and qualitative identification of DA molecules from biological samples.
Synthesis of Cyclic Peptide Mimetics by the Successive Ring Expansion of Lactams
Authors: Stephens Thomas C. , Lodi Mahendar , Steer Andrew M. , Lin Yun , Gill Matthew T. , Unsworth William P.
Published: July 2017

A successive ring‐expansion protocol is reported that enables the controlled insertion of natural and non‐natural amino acid fragments into lactams. Amino acids can be installed into macrocycles via an operationally simple and scalable iterative procedure, without the need for high dilution. This method is expected to be of broad utility, especially for the synthesis of medicinally important cyclic peptide mimetics.
Direct and Topoisomerase II Mediated DNA Damage by Bis‐3‐chloropiperidines: The Importance of Being an Earnest G
Authors: Sosic Alice , Zuravka Ivonne , Schmitt Nina‐Katharina , Miola Angelica , Göttlich Richard , Fabris Dan , Gatto Barbara
Published: July 2017

Bis‐3‐chloropiperidines are a new class of DNA‐active compounds capable of alkylating nucleobases and inducing strand cleavage. In this study, we investigated the reactivity of these mustard‐based agents with both single‐ and double‐stranded DNA constructs. Polyacrylamide gel electrophoresis (PAGE) and electrospray ionization mass spectrometry (ESI‐MS) were used to obtain valuable insight into their mechanism at the molecular level and to investigate their time‐ and concentration‐dependent activity. The results revealed the preferential formation of mono‐ and bifunctional adducts at nucleophilic guanine sites. In a stepwise fashion, alkylation was followed by depurination and subsequent strand scission at the ensuing apurinic site. We demonstrated that the covalent modifications introduced by this new class of compounds can inhibit the activity of essential DNA‐processing proteins, such as topoisomerase IIα, thereby suggesting that bis‐3‐chloropiperidines may have excellent anticancer potential.
Implementing Clinical Prediction Models: Pushing the Needle Towards Precision Pharmacotherapy
Authors: Dorajoo SR , Chan A
Published: July 2017

Clinical prediction models promise a future of precision drug therapy. However, very few models are used in practice. Although models can eliminate unwanted clinical guesswork, several barriers hinder model implementation in practice. Here we discuss the less well‐recognized barriers hindering model implementation for precision prescribing, highlighting areas that warrant attention, primarily relating to ethical and regulatory considerations that are requisite in paving the way towards a future of precision pharmacotherapy.
Male germline recombination of a conditional allele by the widely used Dermo1‐cre (Twist2‐cre) transgene
Authors: He Yun , Sun Xiumei , Wang Li , Mishina Yuji , Guan Jun‐Lin , Liu Fei
Published: July 2017

Conditional gene knockout using the Cre/loxP system is instrumental in advancing our understanding of the function of genes in a wide range of disciplines. It is becoming increasingly apparent in the literature that recombination mediated by some Cre transgenes can occur in unexpected tissues. Dermo1‐Cre (Twist2‐Cre) has been widely used to target skeletal lineage cells as well as other mesoderm‐derived cells. Here we report that Dermo1‐Cre exhibits spontaneous male germline recombination activity leading to a Cre‐mediated recombination of a floxed Ptk2 (Protein tyrosine kinase 2, also known as Fak [Focal adhesion kinase]) allele but not a floxed Rb1cc1 (RB1 inducible coiled‐coil 1, also known as Fip200 [FAK‐family Interacting Protein of 200 kDa]) allele at high frequency. This ectopic germline activity of Dermo1‐Cre occurred in all or none manner in a given litter. We demonstrated that the occurrence of germline recombination activity of Dermo1‐Cre transgene can be avoided by using female mice as parental Dermo1‐Cre carriers.
Masting in wind‐pollinated trees: system‐specific roles of weather and pollination dynamics in driving seed production
Authors: Bogdziewicz Michał , Szymkowiak Jakub , Kasprzyk Idalia , Grewling Łukasz , Borowski Zbigniew , Borycka Katarzyna , Kantorowicz Władysław , Myszkowska Dorota , Piotrowicz Katarzyna , Ziemianin Monika , Pesendorfer Mario B.
Published: July 2017

Masting, the highly variable production of synchronized large seed crops, is a common reproductive strategy in plant populations. In wind‐pollinated trees, flowering and pollination dynamics are hypothesized to provide the mechanistic link for the well‐known relationship between weather and population‐level seed production. Several hypotheses make predictions about the effect of weather on annual pollination success. The pollen coupling hypothesis predicts that weather and plant resources drive the flowering effort of trees, which directly translates into the size of seed crops through efficient pollination. In contrast, the pollination Moran effect hypothesis predicts that weather affects pollination efficiency, leading to occasional bumper crops. Furthermore, the recently formulated phenology synchrony hypothesis predicts that Moran effects can arise because of weather effects on flowering synchrony, which, in turn, drives pollination efficiency. We investigated the relationship between weather, airborne pollen, and seed production in common European trees, two oak species (Quercus petraea and Q. robur) and beech (Fagus sylvatica) with a 19‐yr data set from three sites in Poland. Our results show that warm summers preceding flowering correlated with high pollen abundance and warm springs resulted in short pollen seasons (i.e., high flowering synchrony) for all three species. Pollen abundance was the best predictor for seed crops in beech, as predicted under pollen coupling. In oaks, short pollen seasons, rather than pollen abundance, correlated with large seed crops, providing support for the pollination Moran effect and phenology synchrony hypotheses. Fundamentally different mechanisms may therefore drive masting in species of the family Fagacae.
Single‐Stage ZVS‐PWM AC‐AC Power Converter Using All SiC Power Module for High‐Frequency Induction Heating Applications
Authors: MISHIMA TOMOKAZU , MORINAGA SOUTA , NAKAOKA MUTSUO
Published: July 2017

This paper presents a novel prototype of a single‐stage zero voltage soft‐switching pulse‐width modulation ‐controlled ac‐ac converter with a silicon carbide (SiC)‐MOSFET/SiC‐SBD power module for high‐frequency (HF) induction heating (IH) applications. The newly developed ac‐ac converter can achieve higher efficiency than a Si‐IGBT/Si‐PN diode power module‐based prototype due to a low ON‐resistance of SiC‐MOSFET and a low forward voltage of SiC‐SBD under the condition of HF switching. The performances of the new prototype converter are evaluated by experiment with a single‐phase IH utensil of ferromagnetic stainless metal, after which the high‐efficiency and low switching noise characteristics due to the all SiC power module are actually demonstrated.
Imidazolidine Ring Cleavage upon Complexation with First‐Row Transition Metals
Authors: Cheaib Khaled , Herrero Christian , Guillot Régis , Banse Frédéric , Mahy Jean‐Pierre , Avenier Frédéric
Published: July 2017

The reaction of a cyclic diaminal ligand, obtained from the reaction of N,N′‐bis(2‐pyridylmethyl)ethane‐1,2‐diamine, as a secondary diamine, and isophthalaldehyde, with different first‐row transition‐metal ions, such as FeIII, ZnII, CuII, and CuI, was explored using UV/Vis kinetic studies, and cyclic voltammetry. The 3D structures of the resulting metal complexes were determined by single‐crystal X‐ray diffraction analysis. We demonstrate that the ring‐cleavage reaction of the imidazolidine ligand upon complexation with various metal ions depends on the Lewis acidity of the metal ions, as well as on the coordinative requirements of the metal centers. With a soft acid such as CuI, the diaminal ligand was unmodified and stabilized tricoordinate planar cuprous ions. In contrast, in the presence of harder acids, such as FeIII, ZnII, and CuII, the diaminal ligand undergoes hydrolysis/cleavage to yield complexes of the tetradentate N,N′‐bis(2‐pyridylmethyl)ethane‐1,2‐diamine ligand. Interestingly, it was also observed that the ring‐cleavage reaction in the presence of FeIII led to the formation of FeII complexes. However, we demonstrate that these two events are independent from each other.
Evidence for the modulation of nociception in mice by central mast cells
Authors: Kissel C.L. , Kovács K.J. , Larson A.A.
Published: July 2017

Background

Hyperalgesia that develops following nerve ligation corresponds temporally and in magnitude with the number of thalamic mast cells located contralateral to the ligature. We tested the possibility that mast cells modulate nociception centrally, similar to their role in the periphery.

Methods

We examined the central effect of two hyperalgesic compounds that induce mast cell degranulation and of stabilized mast cells using cromolyn.

Results

Thermal hyperalgesia (tail flick) induced by nerve growth factor (NGF, a neurotrophic compound) and mechanical hyperalgesia (von Frey) induced by dynorphin A (1‐17) (opioid compound) each correlated with the per cent of thalamic mast cells that were degranulated. Degranulation of these mast cells by the central injection of compound 48/80, devoid of neurotrophic or opioid activity, was sufficient to recapitulate thermal hyperalgesia. Stabilization of mast cells by central injections of cromolyn produced no analgesic effect on baseline tail flick or von Frey fibre sensitivity, but inhibited thermal hyperalgesia produced by compound 48/80 and tactile hyperalgesia induced by dynorphin and by Freund's complete adjuvant. Finally, chemical nociception produced by the direct activation of nociceptors by formalin (phase I) was not inhibited by centrally injected cromolyn whereas chemical nociception dependent on central sensitization (formalin‐phase II and acetic acid‐induced abdominal stretches) was.

Conclusions

These convergent lines of evidence suggest that degranulation of centrally located mast cells sensitizes central nociceptive pathways leading to hyperalgesia and tonic chemical sensitivity.

Significance

Hyperalgesia induced by spinal nerve ligation corresponds temporally and in magnitude with degranulation of thalamic mast cells. Here, we provide evidence that hyperalgesia induced by NGF, formalin and dynorphin also may depend on mast cell degranulation in the CNS whereas cromolyn, a mast cell stabilizer, blocks these effects in mice.
Microband Sensor for As(III) Analysis: Reduced Matrix Interference
Authors: Dudeney Richard , Newman Jeffrey D. , Davis Frank , Setford Steven J. , Tothill Ibtisam E.
Published: July 2017

A portable sensor based on a microband design for arsenic detection in drinking water is presented. The work was focused to minimize interference encountered with a standard screen‐printed electrodes featuring an onboard gold working electrode, carbon counter and silver−silver chloride pseudo‐reference electrodes as composite coatings on plastic surface. The interference effect was identified as chloride ions interacting with the silver surface of the reference electrode and formation of soluble silver chloride complexes such as AgCl43−. By modification of the reference electrodes with Nafion membrane (5 % in alcohols), the interference was entirely eliminated. However, membrane coverage and uniformity can impact the electrodes reproducibility and performance. Hence, the sensor design was further considered and a microband format was produced lending favorable diffusive to capacitive current characteristics. Using the microband electrodes allowed As(III) detection with limit of detection of 0.8 ppb (in 4 M HCl electrolyte), inherently avoiding the problems of electrode fouling and maximizing analyte signal in river water samples. This is below the World Health Organization limit of 10 μg L−1 (ppb). The electrolyte system was chosen so as to avoid problems from other common metal ions, most notably Cu(II). The presented electrode system is cost effective and offers a viable alternative to the colorimetric test kits presently employed for arsenic analysis in drinking water.
A smart device application for the automated determination of E. coli colonies on agar plates
Authors: Austerjost Jonas , Marquard Daniel , Raddatz Lukas , Geier Dominik , Becker Thomas , Scheper Thomas , Lindner Patrick , Beutel Sascha
Published: July 2017

The manual counting of colonies on agar plates to estimate the number of viable organisms (so‐called colony‐forming units–CFUs) in a defined sample is a commonly used method in microbiological laboratories. The automation of this arduous and time‐consuming process through benchtop devices with integrated image processing capability addresses the need for faster and higher sample throughput and more accuracy. While benchtop colony counter solutions are often bulky and expensive, we investigated a cost‐effective way to automate the colony counting process with smart devices using their inbuilt camera features and a server‐based image processing algorithm. The performance of the developed solution is compared to a commercially available smartphone colony counter app and the manual counts of two scientists trained in biological experiments. The comparisons show a high accuracy of the presented system and demonstrate the potential of smart devices to displace well‐established laboratory equipment.
The syn‐depositional fault control of the evolution of axial meandering river delta‐sublacustrine fan deposits during the Ed2x deposition in the northern Liaodong Bay, Bohai Bay Basin, NE China
Authors: Xia Shiqiang , Lin Changsong , Liu Jingyan , Liu Zhen , Zhou Xinhuai , Li Hong , Lu Chaojin
Published: July 2017

This research study presents the results of an integrated study employing core samples, wireline logs, and seismic dataset collected in the study area for analysing the syn‐depositional fault's control of the evolution of the axial meandering river delta‐sublacustrine fan deposits during the Ed2x depositional period. The results indicate that the delta deposits that had developed during a retrogressive period, with the characteristics of retrogressive stacking patterns, had resulted from a high subsidence rate caused by the syn‐depositional faults with large fault throw. These appeared to be characterized by strong amplitude, low frequency, and continuous seismic reflections on the seismic profiles, and high‐amplitude serrated cylinder‐shaped stacking patterns in the wireline logs, with no obvious sedimentary structures. In contrast, the delta deposits developed during a progressive period and characterized by progressive stacking patterns were determined to have resulted from a low subsidence rate caused by the syn‐depositional faults with small fault throw. They were found to be characterized by weak‐to‐medium amplitude vermicule‐shaped seismic reflections, as well as low‐amplitude bell‐shaped or funnel‐shaped stacking patterns, with soft‐sediment deformation structures.
Paleoenvironmental, diagenetic, and eustatic controls on the Permo–Triassic carbonate–evaporite reservoir quality, Upper Dalan and Kangan formations, Lavan Gas Field, Zagros Basin
Authors: Jafarian Arman , Javanbakht Mohammad , Koeshidayatullah Ardiansyah , Pimentel Nuno , Salad Hersi Osman , Yahyaei Ahmad , Beigi Maryam
Published: July 2017

Permo–Triassic (P–T) successions in Iran are known as one of the most extensive carbonate–evaporite sequences in the world, holding prolific hydrocarbon accumulations, such as the gas fields in the Zagros Basin. This study addresses the impact of paleoenvironmental changes across the P–T extinction boundary, variations in eustatic level and diagenesis on the carbonate reservoir quality of the Permo–Triassic Upper Dalan and Kangan formations in the Lavan Gas Field (offshore Zagros). A total of eight lithofacies have been defined and interpreted, representing the shallower parts (inner ramp to shoal) of a carbonate homoclinal ramp. The diagenetic features show the mixing influence of marine, meteoric and burial processes, with prevalence of multistage dolomitization and late meteoric‐related imprints. The main dolomitization processes are interpreted to be penecontemporaneous and associated with continuous seawater reflux and high evaporation within the intertidal environment. Combined analysis of facies and petrophysical properties has been utilized to define six rock types, including RT4 (grainstones from oolitic shoals) as the best reservoir, whereas RT1 (supratidal anhydrite) is acting as the main cap rock within the studied carbonate–evaporite sequence. Multiscale characterization of lithological and petrophysical properties suggest that the Upper Dalan Formation has a single reservoir unit (D1), whereas the Kangan Formation may be divided into two reservoir units (K1 and K2). The best reservoir quality is promoted by dissolution and dolomitization associated with late Transgressive Sequence Tracts (TST) to early Highstand Sequence Tracts (HST) sequences, while low reservoir quality corresponds to late HST sequences accompanied by pore‐occluded cements. Petrophysical analysis suggest better porosity‐permability for the Upper Dalan than for the Kangan Formation. This observation is closely associated with the different nature of lithofacies, where the Kangan Formation contains more fine‐grained carbonate rocks, and the higher intensity of porosity‐grain dolomitization in the Upper Dalan Formation. This study provides a better understanding on reservoir quality prediction across the P–T boundary and the effect of eustatic fluctuations and diagenesis in controlling porosity‐permeability evolution with similar settings elsewhere.
Spatio‐Temporal Variations and Links between Irrigation and Agricultural Development in an Eastern Indian State
Authors: Ghosh Souvik , Gorain Subrato , Mondal Bitan
Published: July 2017

Spatio‐temporal variations and links between irrigation and the agricultural sector were delineated in the districts of an eastern Indian state, West Bengal, during 2001–2002 to 2011–2012. Cumulative annual exponential growth rate (CAEGR) was calculated for each of the parameters considered under agriculture and irrigation. The irrigation and agricultural scenario at district level were assessed through different indexes. The growth rate of most of the districts showed a declining trend in 5 out of 11 selected parameters, viz. share of cultivable land to total land, share of net sown area to cultivable land, food grain production, paddy production and cropping intensity. Overall, growth rates were found for the canal‐ and groundwater‐irrigated areas, respectively, with an increase of net irrigated area (CAEGR 0.17). Both the agricultural development index (ADI) and the irrigation coverage index (ICI) were found to be high to very high (≥60) in four districts, while two districts had very low to low ADI and ICI values (≤40) in all the years. The source‐wise irrigation utilization indices altogether explained 91% variation in ADI that was predominantly by canal and groundwater irrigation. Some missing links were also observed in some districts where the level of agricultural development did not match the irrigation scenario. Copyright © 2017 John Wiley & Sons, Ltd.
Comparative Analysis of the Radiology of Osteoporotic Vertebral Fractures in Women and Men: Cross-Sectional and Longitudinal Observations from the Canadian Multicentre Osteoporosis Study (CaMos)
Authors: Lentle Brian C , Berger Claudie , Probyn Linda , Brown Jacques P , Langsetmo Lisa , Fine Ben , Lian Kevin , Shergill Arvind K , Trollip Jacques , Jackson Stuart , Leslie William D , Prior Jerilynn C , Kaiser Stephanie M , Hanley David A , Adachi Jonathan D , Towheed Tanveer , Davison K Shawn , Cheung Angela M , Goltzman David ,   for the CaMos Research Group
Published: July 2017

We compared two methods for osteoporotic vertebral fracture (VF) assessment on lateral spine radiographs, the Genant semiquantitative (GSQ) technique and a modified algorithm-based qualitative (mABQ) approach. We evaluated 4465 women and 1771 men aged ≥50 years from the Canadian Multicentre Osteoporosis Study with available X-ray images at baseline. Observer agreement was lowest for grade 1 VFs determined by GSQ. Among physician readers, agreement was greater for VFs diagnosed by mABQ (ranging from 0.62 [95% confidence interval (CI) 0.00–1.00] to 0.88 [0.76–1.00]) than by GSQ (ranging from 0.38 [0.17–0.60] to 0.69 [0.54–0.85]). GSQ VF prevalence (16.4% [95% CI 15.4–17.4]) and incidence (10.2/1000 person-years [9.2; 11.2]) were higher than with the mABQ method (prevalence 6.7% [6.1–7.4] and incidence 6.3/1000 person-years [5.5–7.1]). Women had more prevalent and incident VFs relative to men as defined by mABQ but not as defined by GSQ. Prevalent GSQ VFs were predominantly found in the mid-thoracic spine, whereas prevalent mABQ and incident VFs by both methods co-localized to the junction of the thoracic and lumbar spine. Prevalent mABQ VFs compared with GSQ VFs were more highly associated with reduced adjusted L1 to L4 bone mineral density (BMD) (–0.065 g/cm2 [–0.087 to –0.042]), femoral neck BMD (–0.051 g/cm2 [–0.065 to –0.036]), and total hip BMD (–0.059 g/cm2 [–0.076 to –0.041]). Prevalent mABQ VFs compared with prevalent GSQ were also more highly associated with incident VF by GSQ (odds ratio [OR] = 3.3 [2.2–5.0]), incident VF by mABQ (9.0 [5.3–15.3]), and incident non-vertebral major osteoporotic fractures (1.9 [1.2–3.0]). Grade 1 mABQ VFs, but not grade 1 GSQ VFs, were associated with incident non-vertebral major osteoporotic fractures (OR = 3.0 [1.4–6.5]). We conclude that defining VF by mABQ is preferred to the use of GSQ for clinical assessments. © 2017 American Society for Bone and Mineral Research.
Antidiabetic potential: in vitro inhibition effects of some natural phenolic compounds on α‐glycosidase and α‐amylase enzymes
Authors: Taslimi Parham , Gulçin İlhami
Published: July 2017

α‐Glycosidase is a catalytic enzyme and it destroys the complex carbohydrates into simple absorbable sugar units. The natural phenolic compounds were tested for their antidiabetic properties as α‐glycosidase and α‐amylase inhibitors. The phenolic compounds investigated in this study have been used as antidiabetic common medicines. This paper aimed to consider their capability to inhibit α‐amylase and α‐glycosidase, two significant enzymes defined in serum glucose adjustment. These examination recorded impressive inhibition profiles with IC50 values in the range of 137.36–737.23 nM against α‐amylase and 29.01–157.96 nM against α‐glycosidase.
Study on the Preparation of Cr‐based Catalysts Doped by Zn using Sol–Gel Auto‐Combustion Method and Its Application for Synthesis of 1‐Chloro‐2,3,3,4,4,5,5‐heptafluorocyclopentene
Authors: Han Yajun , He Jinwei , Wu Zhenhai , Zhou Xiaomeng
Published: July 2017

High‐surface‐area chromium‐based catalysts in the presence of a small amount of zinc were prepared via a sol–gel auto‐combustion method using chromic nitrate, zinc nitrate, and citric acid. First, the auto‐combustion behavior of the dried gel was investigated by derivative thermogravimetry and (DTG)‐TGand infrared (IR)techniques. The results revealed that the dried gel exhibited self‐propagating combustion properties. Second, the as‐burnt powders were characterized byIR, X‐ray diffraction (XRD), Brunauer–Emmett–Teller analysis (BET), and scanning electron microscopy (SEM). The findings showed that the gels were directly converted intoCrZn‐O nanoparticles with high surface area during the auto‐combustion process. Third, the pre‐fluorination Cr‐Zn catalysts were characterized byXRD,BET,SEM, X‐ray photoelectron spectroscopy (XPS), and Fourier transform (FT)‐IRspectroscopy of pyridine adsorption techniques. It was found that the presence of zinc led to significant structural changes in the catalyst, the particle size was smaller, the surface area became larger, and more active sites appeared. Finally, the catalytic activities of the samples were tested for the fluorination of 1,2‐dichlorohexafluorocyclopentene (1,2‐F6) with anhydrous hydrogen fluoride. The obtained results indicated that the pre‐fluorination activated Cr‐Zn catalysts prepared by this sol–gel auto‐combustion method exhibited high efficiency in the synthesis of cyclic hydrofluorocarbons.
Bacteria antibiotic resistance: New challenges and opportunities for implant‐associated orthopedic infections
Authors: Li Bingyun , Webster Thomas J.
Published: July 2017

There has been a dramatic increase in the emergence of antibiotic‐resistant bacterial strains, which has made antibiotic choices for infection control increasingly limited and more expensive. In the U.S. alone, antibiotic‐resistant bacteria cause at least 2 million infections and 23,000 deaths a year resulting in a $55–70 billion per year economic impact. Antibiotics are critical to the success of surgical procedures including orthopedic prosthetic surgeries, and antibiotic resistance is occurring in nearly all bacteria that infect people, including the most common bacteria that cause orthopedic infections, such as Staphylococcus aureus (S. aureus). Most clinical cases of orthopedic surgeries have shown that patients infected with antibiotic‐resistant bacteria, such as methicillin‐resistant S. aureus (MRSA), are associated with increased morbidity and mortality. This paper reviews the severity of antibiotic resistance at the global scale, the consequences of antibiotic resistance, and the pathways bacteria used to develop antibiotic resistance. It highlights the opportunities and challenges in limiting antibiotic resistance through approaches like the development of novel, non‐drug approaches to reduce bacteria functions related to orthopedic implant‐associated infections. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:22–32, 2018.
Lithium polyhydrides synthesized under high pressure and high temperature
Authors: Matsuoka Takahiro , Kuno Keiji , Ohta Kenji , Sakata Masafumi , Nakamoto Yuki , Hirao Naohisa , Ohishi Yasuo , Shimizu Katsuya , Kume Tetsuji , Sasaki Shigeo
Published: July 2017

Polyhydrides of alkali metals under high pressures have been attracting great interests owing to the predicted pressure‐stabilized untraditional stoichiometries and potential superconductivity. We have performed Raman scattering measurements of lithium polyhydrides synthesized under high pressure and high temperature conditions up to 182 GPa. Between 30 and 180 GPa, four phases appear, and they are tentatively named α (30–140 GPa), β (30–90 GPa), γ (90–140 GPa), and δ (140 GPa) phase. By observing the H2 vibrons at higher wavenumbers than pure H2 and their pressure dependence, it was revealed that the α phase contains electrically neutral H2 in its crystal lattice without electron transfer from Li atoms. The comparisons with H2‐containing rare gas compounds Ar(H2)2, Kr(H2)4, and Xe(H2)8 suggest that a H2 molecule is surrounded by six to eight neighboring H2 molecules in the α phase. On the other hand, the Raman spectra of the β, γ, and δ phases suggest that they contain the elongated H2 that is negatively charged by the electron transferred from the surrounding matrices. All the α, β, γ, and δ phases were found to remain transparent insulators at pressures below 182 GPa. Copyright © 2017 John Wiley & Sons, Ltd.
Closed‐form solutions to time model for hybrid fs/ps coherent anti‐Stokes Raman scattering
Authors: Marrocco Michele
Published: July 2017

Hybrid fs/ps coherent anti‐Stokes Raman scattering is a recent nonlinear optical technique where interaction of a Raman medium with simultaneous femtosecond (fs) pump and Stokes pulses is interrogated by means of a delayed picosecond (ps) probe. The resulting anti‐Stokes signal is usually studied by means of numerical methods built on the conventional time‐dependent model of Raman coherence. Here, we suggest that, in place of numerical tools, the time model is in complete analogy with an earlier frequency‐dependent analytical model and can be equally treated to a great extent despite the complications arising from probe pulses of non‐trivial time shapes. To verify the reliability of this approach, closed‐form solutions to the time model are compared to published experimental results. In addition to fast signal reconstruction, adequate spectral accuracy is demonstrated. Copyright © 2017 John Wiley & Sons, Ltd.
Resonance Raman effects in transition metal dichalcogenides
Authors: Lee Jae‐Ung , Cheong Hyeonsik
Published: July 2017

Raman spectroscopy is broadly used in the studies of transition metal dichalcogenides to determine the number of layers or other structural parameters. However, unlike the case of graphene, the Raman spectrum varies greatly depending on the excitation energy, and many unusual effects have been reported. The optical absorption spectrum has many features related to exciton states due to the strong coulomb interaction in these materials, and dramatic resonance effects occur when the excitation energy matches one of these exciton states. Several forbidden Raman modes and some unexplained peaks appear near resonance, and Davydov splitting of some Raman modes is observed. Furthermore, the polarization dependence of the some Raman modes also shows excitation energy dependence. In this review, recent progress in resonance Raman studies on transition metal dichalcogenides and some unresolved issues are reviewed. Copyright © 2017 John Wiley & Sons, Ltd.
Key role of surface concentration on reproducibility and optimization of SERS sensitivity
Authors: Santos Jonnatan J. , Toma Sergio H. , Corio Paola , Araki Koiti
Published: July 2017

A systematic study was carried out demonstrating that surface concentration is the key factor that must be controlled to overcome the reproducibility problems that has long been haunting surface enhanced Raman spectroscopy (SERS), converting it in a quantitative analytic tool without using any internal standard. The 1,10‐phenanthroline molecule (phen) used as model compound can assume different orientations on the surface as a function of surface concentration, but a linear response as a function of concentration was realized in a well‐defined range of gold nanoparticles (AuNPs) and phen concentration ratios, allowing to fully explore the very high sensitivity of SERS technique. A detection at a low concentration (5.0 × 10−8 mol dm−3) was achieved controlling the surface concentration in the optimum range where the signals of the species of analytic interest are maximized whilst the signals of all other species are minimized. Copyright © 2017 John Wiley & Sons, Ltd.
Microstructure and tensile properties of various varieties of rice husk
Authors: Chen Ziyong , Xu Yangzi , Shivkumar Satya
Published: July 2017

BACKGROUND

Rice husk is a complex hierarchical assembly of hollow fibers consisting of cellulose, hemicellulose and lignin. In addition, it can also contain pectin and significant amounts of silica. Rice husk can be used in diverse applications and generally in the form of rice husk powder. This study aimed to investigate the structural features and mechanical properties of various varieties of whole rice husks.

RESULTS

Rice husk consists of three sections: epidermis, sub‐hypodermis and hypodermis. The thickness of these layers, the diameters of the hollow fibers and the wall thickness vary with the variety of rice husk. The elastic modulus is typically between 0.3 and 2.6 GPa, and the ultimate tensile strength varies from 19 to 135 MPa depending on the variety of rice husk.

CONCLUSION

Rice husk has a unique hierarchical structure in which the fibers exhibit a staggered perpendicular arrangement and the entire fiber sections are covered by an external shell. The tensile properties vary with the variety of rice husk. The wide range in these tensile properties may be attributed to the size and orientation of the fibers. © 2017 Society of Chemical Industry
Chemical profile of pineapple cv. Vitória in different maturation stages using electrospray ionization mass spectrometry
Authors: Ogawa Elizângela M , Costa Helber B , Ventura José A , Caetano Luiz CS , Pinto Fernanda E , Oliveira Bruno G , Barroso Maria Eduarda S , Scherer Rodrigo , Endringer Denise C , Romão Wanderson
Published: July 2017

BACKGROUND

Pineapple is the fruit of Ananas comosus var. comosus plant, being cultivated in tropical areas and has high energy content and nutritional value. Herein, 30 samples of pineapple cv. Vitória were analyzed as a function of the maturation stage (0–5) and their physico‐chemical parameters monitored. In addition, negative‐ion mode electrospray ionization mass spectrometry [ESI(−)FT‐ICR MS] was used to identify and semi‐quantify primary and secondary metabolites present in the crude and phenolic extracts of pineapple, respectively.

RESULTS

Physico‐chemical tests show an increase in the total soluble solids (TSS) values and in the TSS/total titratable acidity ratio as a function of the maturity stage, where a maximum value was observed in stage 3 (¾ of the fruit is yellow, which corresponds to the color of the fruit peel). ESI(−)FT‐ICR MS analysis for crude extracts showed the presence mainly of sugars as primary metabolites present in deprotonated molecule form ([M − H]− and [2 M − H]− ions) whereas, for phenolic fractions, 11 compounds were detected, being the most abundant in the third stage of maturation. This behavior was confirmed by quantitative analysis of total polyphenols.

CONCLUSION

ESI‐FT‐ICR MS was efficient in identifying primary (carbohydrates and organic acids) and secondary metabolites (13 phenolic compounds) presents in the crude and phenolic extract of the samples, respectively. © 2017 Society of Chemical Industry
Chemoenzymatic Synthesis of Polypeptides for Use as Functional and Structural Materials
Authors: Tsuchiya Kousuke , Numata Keiji
Published: July 2017

Polypeptides inspired by the natural functional and structural proteins present in living systems are promising materials for various fields in terms of their versatile functionality and physical properties. Designing and synthesizing mimetic sequences of specific peptide motifs in proteins are important for exploring the functionality of natural proteins. Chemoenzymatic polymerization, which utilizes aminolysis (i.e., the reverse reaction of hydrolysis catalyzed by proteases), is a useful technique for synthesizing artificial polypeptide materials and has several advantages, including facile synthesis protocols, environmental friendliness, scalability, and atom economy. In this review, recent progress in chemoenzymatic polypeptide synthesis for the production of functional and structural materials for various applications is summarized in conjunction with the current status of technical challenges in the field.
Metabolite availability as a window to view the early embryo microenvironment in vivo
Authors: Hu Kailun , Yu Yang
Published: July 2017

A preimplantation embryo exists independent of blood supply, and relies on energy sources from its in vivo environment (e.g., oviduct and uterine fluid) to sustain its development. The embryos can survive in this aqueous environment because it contains amino acids, proteins, lactate, pyruvate, oxygen, glucose, antioxidants, ions, growth factors, hormones, and phospholipids—albeit the concentration of each component varies by species, stage of the estrous cycle, and anatomical location. The dynamic nature of this environment sustains early development from the one‐cell zygote to blastocyst, and is reciprocally influenced by the embryo at each embryonic stage. Focusing on embryo metabolism allowed us to identify how the local environment was deliberately selected to meet the dynamic needs of the preimplantation embryo, and helped reveal approaches to improve the in vitro culture of human embryos for improved implantation rates and pregnancy outcome.