bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Promiscuous Cytochrome P450 Hydroxylates Aliphatic and Aromatic C−H Bonds of Aromatic 2,5‐Diketopiperazines
Authors: Jiang Guangde , Zhang Yi , Powell Magan M. , Hylton Sarah M. , Hiller Nicholas W. , Loria Rosemary , Ding Yousong 
Published: January 2019

AbstractCytochrome P450 enzymes generally functionalize inert C−H bonds, and thus, they are important biocatalysts for chemical synthesis. However, enzymes that catalyze both aliphatic and aromatic hydroxylation in the same biotransformation process have rarely been reported. A recent biochemical study demonstrated the P450 TxtC for the biosynthesis of herbicidal thaxtomins as the first example of this unique type of enzyme. Herein, the detailed characterization of substrate requirements and biocatalytic applications of TxtC are reported. The results reveal the importance of N‐methylation of the thaxtomin diketopiperazine (DKP) core on enzyme reactions and demonstrate the tolerance of the enzyme to modifications on the indole and phenyl moieties of its substrates. Furthermore, hydroxylated, methylated, aromatic DKPs are synthesized through a biocatalytic route comprising TxtC and the promiscuous N‐methyltransferase Amir_4628; thus providing a basis for the broad application of this unique P450.
Application of the DILEMMA score to improve lesion selection for invasive physiological assessment
Authors: Michail Michael , Dehbi Hakim‐Moulay , Nerlekar Nitesh , Davies Justin E. , Sharp Andrew S. P. , Talwar Suneel , Cameron James D. , Brown Adam J. , Wong Dennis T. , Mathur Anthony , Hughes Alun D. , Narayan Om 
Published: January 2019

AbstractObjectivesWe sought to assess the validity of the DILEMMA score against instantaneous wave‐free ratio (iFR) and evaluate its utility in rationalizing the number of patients referred for invasive physiological assessment.BackgroundThe DILEMMA score is a validated angiographic scoring tool incorporating minimal lumen diameter, lesion length and subtended myocardial area that has been shown to predict the functional significance of lesions as assessed by fractional flow reserve (FFR).MethodsPatients in the DEFINE‐FLAIR study who had coronary stenosis of intermediate severity were randomized to either FFR or iFR. DILEMMA score was calculated retrospectively on a subset of this cohort by operators blinded to FFR or iFR values.ResultsThree hundred and forty‐six lesions (181 assessed by FFR; 165 by iFR) from 259 patients (mean age 66.0 years, 79% male) were included. A DILEMMA score ≤ 2 had a negative predictive value of 96.3% and 95.7% for identifying lesions with FFR >0.80 and iFR >0.89, respectively. A DILEMMA score ≥ 9 had a positive predictive value of 88.9% and 100% for identifying lesions with FFR ≤0.80 and iFR ≤0.89, respectively. The receiver operating characteristic area under the curve values for DILEMMA score to predict FFR ≤0.80 and iFR ≤0.89 were 0.83 (95% CI 0.77–0.90) and 0.82 (0.75–0.89) respectively. A DILEMMA score ≤ 2 or ≥9 occurred in 172 of the 346 lesions (49.7%).ConclusionsUsing DILEMMA score in patients with coronary stenosis of intermediate severity may reduce the need for pressure wire use, offering potential cost‐savings and minimizing the risks associated with invasive physiological lesion assessment.
Metal Sulfide Photocatalysis: Visible‐Light‐Induced Organic Transformations
Authors: Hao Huimin , Lang Xianjun 
Published: January 2019

AbstractTransition‐metal sulfides belong to an important subgroup of semiconductor photocatalysts that could promote a variety of valuable redox reactions under mild conditions. One notable merit of metal sulfides is their relatively smaller bandgaps than metal oxides, which in turn make sure that many of them can directly utilize visible light. Historically, the deployment of metal sulfides for visible‐light‐induced organic transformations took place shortly after the genesis of the research field of heterogeneous photocatalysis. In this review, we primarily focus on recent state‐of‐the‐art advancements of metal sulfide photocatalysis aimed at visible‐light‐induced selective organic transformations. Interests in this specific branch of photocatalysis have been rekindled due to the new methods for materials synthesis; the pursuit of new mechanisms; or the integration of metal sulfides with metal oxides, metal nanoparticles or other emerging materials. Thus we categorize them into four sections according to the different strategies in developing novel or more efficient organic processes. Binary and ternary metal sulfides, usually associated with new materials synthesis and mechanistic insights, can be used directly for visible‐light‐induced organic transformations. This is the basis of other further developments and will be introduced firstly. Next, the cooperation between metal sulfides and metal oxides or metal nanoparticles can be conducive to many photocatalytic systems. These developments will be discussed in the next two ensuing sections. Furthermore, the integration of metal sulfides with recent developed emerging materials such as metal‐organic frameworks (MOFs), graphene and graphitic carbon nitride (g‐C3N4) will be discussed in another section to highlight the importance of merging metal sulfides with these materials. We attempt to keep an impartial panorama of these four distinctive sections even though the phases of development are quite different among sections, leaving plenty of room for the future expansion of this burgeoning area.
Simply Structured Near‐Infrared Emitters with a Multicyano Linear Acceptor for Solution‐Processed Organic Light‐Emitting Diodes
Authors: Zhao Bingjie , Xie Guohua , Wang Huiqin , Han Chunmiao , Xu Hui 
Published: January 2019

AbstractInvited for the cover of this issue are Prof. Hui Xu and co‐workers at Heilongjiang University and Wuhan University. The image depicts a simple strategy for realizing a near‐infrared thermally activated delayed fluorescence (NIR TADF) emitter. Read the full text of the article at 10.1002/chem.201805201.
Gebrauchsmusterschutz für Chemieerfindungen
Authors: Seifert Annekathrin , Wortmann Jens 
Published: January 2019

ZusammenfassungWer eine Erfindung im Bereich Chemie/Pharmazie durch Anmeldung eines gewerblichen Schutzrechts mit Wirkung für Deutschland sichern möchte, hat in vielen Fällen die Wahl zwischen einer Patent‐ und einer Gebrauchsmusteranmeldung. Für einen effektiven Schutz kann es sinnvoll sein, für dieselbe Erfindung sowohl eine Patentanmeldung als auch eine parallele Gebrauchsmusteranmeldung einzureichen. Mit der Möglichkeit, aus einer früheren Patenanmeldung noch bis zu 10 Jahre nach dem Anmeldetag ein Gebrauchsmuster abzweigen zu können, kann man flexibel auf neue Entwicklungen reagieren, die erst nach Einreichung der Patentanmeldung bekannt geworden sind. Die Gebrauchsmusterabzweigung ist insbesondere ein scharfes Schwert, um rasch und effektiv gegen Nachahmer vorzugehen.
Controlled Formation of Hydrated Micelles by the Intervention of Cyclodextrins
Authors: Ghosh Ashutosh , Kanti Seth Sourav , Purkayastha Pradipta 
Published: January 2019

AbstractThe interaction between surfactants and cyclodextrins (CDs) is well known. Studies have focused mainly on destruction of micelles with CDs to release the encapsulated drugs. However, less emphasis has been given on understanding the formation of micelles with the CD encapsulated surfactants. We have used fluorescence spectroscopy to study the impact of CDs on micelles using a fluorophore that has been tactically designed as a reporter. This molecule has a pyrene moiety on one end and a cationic head group on the other so that the orientation of the compound can be prefixed on micelle formation in aqueous environment. We have observed that the CD encapsulated surfactants can form “hydrated micelles” that allow extensive penetration of water molecules toward the core. The mechanism for such a process involves inclusion of the hydrophobic surfactant tails within the CD core and participation of these inclusion complexes in micelle formation. The process could be controlled by tuning the concentration of CD. The degree of hydration varies as the micelles get more opened up due to the residence of the CDs inside them.
Photovoltaic Counter Electrodes: An Alternative Approach to Extend Light Absorption Spectra and Enhance Performance of Dye‐Sensitized Solar Cells
Authors: Ma Dui , Zai Jiantao , Wang Yan , Qiao Qiquan , Qian Xuefeng 
Published: January 2019

AbstractIf counter electrodes (CEs) could also contribute to light harvesting in dye‐sensitized solar cells (DSSCs), then the power conversion efficiency (PCE) of DSSCs would be further boosted without changing the device structure. Nearly monodispersed Ag2Se nanocrystals with a bandgap of 1.62 eV (∼765 nm) were synthesized via a one‐pot process, and Ag2Se CEs were fabricated by using a spin‐coating and annealing process. Incident photon‐to‐current conversion efficiency and photocurrent spectra indicated that Ag2Se CEs can generate the electricity by harvesting more visible light, which could not be absorbed by dye‐sensitized photoanodes. Thus, compared to Pt CE (7.57 %), the DSSC based on Ag2Se CE exerted a higher PCE of 8.06 %. The development of photovoltaic CEs may offer an alternative way to promote the performance and competitiveness of DSSCs.
Multiple approaches to surface water quality assessment provide insight for small streams experiencing oil and natural gas development
Authors: Walters Annika W , Girard Carlin E , Walker Richard H , Farag Aïda M , Alvarez David A 
Published: January 2019

Abstract

Historic, current, and future oil and natural gas development can affect water quality in streams flowing through developed areas. We compared small stream drainages in a semiarid landscape with varying amounts of disturbance from oil and natural gas development to examine potential effects of this development on surface water quality. We used physical, chemical, and biological approaches to assess water quality and found several potential avenues of degradation. Surface disturbance likely contributed to elevated suspended sediment concentrations and spill history likely led to elevated stream polycyclic aromatic hydrocarbon concentrations. In combination, these environmental stressors could explain the loss of aquatic macroinvertebrate taxon at sites highly affected by oil and natural gas development. Our results provide insight into advantages and disadvantages of approaches for assessing surface water quality in areas affected by oil and natural gas development. Integr Environ Assess Manag 2019;00:000–000. © 2019 SETAC
Changes in antioxidant, inflammatory and metabolic markers during 1 week cultivation of human skin explants
Authors: Vostálová Jitka , Galandáková Adéla , Zálešák Bohumil , Lichnovská Radka , Čížková Kateřina , Ulrichová Jitka , Rajnochová Svobodová Alena 
Published: January 2019

AbstractHuman skin explant (HSE) seems to be a useful model for dermatological/cosmetic testing. HSE prepared from donor superfluous skin from plastic surgery operations is cheap and easily obtainable compared to reconstructed models. The HSE use, however, may be limited by the degeneration processes during cultivation. The aim was to monitor changes in metabolic activity and selected apoptotic, inflammatory and antioxidant parameters during 7 day cultivation. The significant changes were found in the superoxide dismutase‐2 level from day 5, glutathione S‐reductase level from day 6, metabolic activity and fibulin‐5 level from day 4, cyclooxygenase‐2, interleukin‐6 and interleukin‐10 from day 1 to 2. Other selected markers (lipid peroxidation products and glutathione level, glutathione S‐transferase, catalase, superoxide dismutase and glutathione S‐reductase activity, glutathione peroxidase and glutathione S‐reductase levels) were not modified significantly due to high inter‐individual variability of skin donors. The HSE microstructure as well as cytokeratin‐10 and proliferation marker Ki67 expression was also only minimally affected during cultivation. Collectively, the results demonstrate that HSE represents a good model for short‐term studies focused on the physical and chemical agent toxicity, protective potential of compounds or metabolic biotransformation. However, reduced metabolic activity, increased inflammation and the high inter‐individual variability and sensitivity of donors have to be taken into consideration.
Extracellular enzymatically synthesized glycogen promotes osteogenesis by activating osteoblast differentiation via Akt/GSK‐3β signaling pathway
Authors: Ida‐Yonemochi Hiroko , Nakagawa Eizo , Takata Hiroki , Furuyashiki Takashi , Kakutani Ryo , Tanaka Mikako , Ohshima Hayato 
Published: January 2019

AbstractGlycogen is the stored form of glucose and plays a major role in energy metabolism. Recently, it has become clear that enzymatically synthesized glycogen (ESG) has biological functions, such as the macrophage‐stimulating activity. This study aimed to evaluate the effect of ESG on osteogenesis. MC3T3‐E1 cells were cultured with ESG, and their cell proliferative activity and osteoblast differentiation were measured. An in vivo study was conducted in which ESG pellets with BMP‐2 were grafted into mouse calvarial defects and histomorphometrically analyzed for the new bone formation. To confirm the effect of ESG on bone growth in vivo, ESG was orally administered to pregnant mice and the femurs of their pups were examined. We observed that ESG stimulated cell proliferation and enhanced messenger RNA expression of osteocalcin and osteopontin in MC3T3‐E1 cells. ESG was taken up by the cells associated with GLUT‐1 and activated the Akt/GSK‐3β pathway. In vivo, the new bone formation in the calvarial defect was significantly accelerated by ESG and the maternal administration of ESG promoted fetal bone growth. In conclusion, ESG stimulates cell proliferation and differentiation of preosteoblasts via the activation of Akt/GSK‐3β signaling and promotes new bone formation in vivo, suggesting that ESG could be a useful stimulant for osteogenesis.
microRNA‐33‐3p involved in selenium deficiency‐induced apoptosis via targeting ADAM10 in the chicken kidney
Authors: Wan Na , Xu Zhe , Chi Qianru , Hu Xueyuan , Pan TingRu , Liu Tianqi , Li Shu 
Published: January 2019

AbstractSelenium (Se) deficiency induces typical clinical and pathological changes and causes various pathological responses at the molecular level in several different chicken organs; the kidney is one of the target organs of Se deficiency. To explore the mechanisms that underlie the effects of microRNA‐33‐3p (miR‐33‐3p) on Se deficiency‐induced kidney apoptosis, 60 chickens were randomly divided into two groups (30 chickens per group). We found that Se deficiency increased the expression of miR‐33‐3p in the chicken kidney. A disintegrin and metalloprotease domain 10 (ADAM10) was verified to be a target of miR‐33‐3p in the chicken kidney. The overexpression of miR‐33‐3p decreased the expression levels of β‐catenin, cyclinD1, T‐cell factor (TCF), c‐myc, survivin, and Bcl‐2; it increased the expression levels of E‐cadherin, Bak, Bax, and caspase‐3; and it increased the number of chicken kidney cells in the G0/G1 phase. In addition, Se deficiency caused the ultrastructure of the kidney to develop apoptotic characteristics. The results of flow cytometry analysis and AO/EB staining showed that the number of apoptotic chicken kidney cells increased in the miR‐33‐3p mimic group. All these results suggest that Se deficiency‐induced cell cycle arrest and apoptosis in vivo and in vitro in the chicken kidney via the regulation of miR‐33‐3p, which targets ADAM10.
Consequential cognition: Exploring how attribution theory sheds new light on the firm‐level consequences of product recalls
Authors: Munyon Timothy P. , Jenkins Matthew T. , Crook T. Russell , Edwards Jonathan , Harvey N. Paul 
Published: January 2019

SummaryIt is unclear why some firms suffer greater negative consequences than others following a product recall. To shed light on this question, we extend attribution theory to the firm level to explore how consumers engage in an attributional process following product recalls that shapes their responses to firms. Integrating attribution theory and the demand side theoretical perspective, we assert that consumer judgments of responsibility toward manufacturers are shaped by causal data regarding the locus of causality (i.e., manufacturer or supplier) and controllability (i.e., prior knowledge or awareness) of a recalled product's potential for harm. We then examine the impact of product recall characteristics on judgments of responsibility and firm‐level outcomes using an experimental test involving responses from 320 subjects. Our findings suggest that judgments of responsibility are attributed to the manufacturing firm more when consumers are given causal information indicating that the firm is the source of, or is aware of, a product's defects. The results also indicate that judgments of responsibility can have costly firm‐level consequences in the form of reputational damage, diminished consumer purchase intentions, and increased legal damage recommendations. We discuss theoretical contributions, practical implications, and opportunities for further research.
A first principles study on structural, dynamical, and mechanical stability of newly predicted delafossite HCoO2 at high pressure
Authors: Upadhyay Deepak , Pratap Arun , Jha Prafulla K. 
Published: January 2019

AbstractCobalt oxyhydroxide (HCoO2), which belongs to the heterogenite mineral family, exists in two hexagonal polytypes (2H) and rhombohedral (3R). Here, we investigate the high pressure behaviour of both polytypes of HCoO2 using state‐of‐the‐art first principles calculations‐based density functional theory. We have used both local density approximation (LDA) and generalised gradient approximation (GGA) for exchange correlation functional. For the calculation of electronic band structures, we have also used the on‐site Coulomb interaction U term with LDA calculations and found improvement in results. The obtained ground state properties for both polytypes agree well with experimental and previous theoretical data. The electronic band structure shows that both phases are semiconductor with an indirect band gap in the ran\ge of 2.01–2.06 eV. The pressure‐dependent phonon dispersion curves and elastic constants depict the instability of 2H and 3R phases around 35 and 40 GPa, respectively. The O‐H distance gradually decreases for both phases with pressure and results into the less compressibility in z‐direction. The theoretically calculated pressure‐dependent Raman spectra of 2H‐HCoO2 show the peak broadening nature of E2g mode with pressure whereas in the case of 3R‐HCoO2, the A1g mode disappears beyond 45 GPa pressure. This indicates the existence of phase transition beginning around this pressure, which is driven by the shear modulus. A detailed analysis of the mode compatibility in the case of 2H polytypes is also reported. The phonon mode evolution with pressure is also analysed.
Investigating trade‐offs between optimal mobile photo enforcement programme plans
Authors: Li Yang , Xie Jiaohong , Kim Amy M. , El‐Basyouny Karim 
Published: January 2019

AbstractAgencies that manage mobile photo enforcement (MPE) programmes must decide where and when to send their limited resources to monitor compliance with speed limits. Usually, the goal is to select locations based on a number of concerns (i.e., high collision sites, high speed violation sites, school zones, etc.), which, in most cases, is conflicting. If certain locations are given more MPE resources, then by definition, other locations will receive less attention, and vice versa. This paper aims to provide insights about such MPE programme trade‐offs. We present a systematic procedure for interpreting the results of a multiobjective MPE resource allocation problem. The procedure consists of three steps: (a) Pareto front (PF) generation, (b) front representation, and (c) trade‐off analysis. First, in generating a PF, we sequentially apply two well‐known scalar optimization methods to obtain a comprehensive set of Pareto‐optimal solutions. Second, the K‐medoids clustering algorithm and the silhouette index are adopted to partition the generated PF into similar‐sized clusters, in order to help MPE programme agencies choose from a reduced set of solutions on the PF. Third, we use the response surface method to determine trade‐off patterns on the PF. The results of the front generation analysis showed that applying two optimization methods together resulted in a nearly complete PF with a relatively uniform and dense spread of solutions. Consequently, the identified set of solutions (i.e., 13,210 cases) was further partitioned into 12 clusters by silhouette index and K‐medoids. With the aim of reducing decision fatigue for agencies, each cluster's representative solution is considered a possible MPE resource allocation candidate. The trade‐off analysis indicated how much one must sacrifice in the other objectives in order to increase attainment of one particular objective. Finally, the trade‐off rate and elasticity were used to explore the quantitative relationship between the considered objectives.
Large current nanosecond pulse generating circuit for driving semiconductor laser diode
Authors: Wen Shaocong , Wang Mao , Xie Jie , Wu Dongmin 
Published: January 2019

AbstractThe semiconductor laser diode SPL LL90_3, which integrates the RC charge‐discharge circuit and a MOSFET switching device, is usually used for pulsing laser in the light detection and ranging system with a rated peak power of 70 W at 30 ns pulse‐width. To further increase the peak power and reduce the pulse width and rising edge, a driving circuit with an avalanche transistor used as a pre‐switching device is proposed. A trigger pulse with about 10 ns’‐pulse‐width is obtained to drive the laser diode. At the same time, the pulsing laser's peak power can reach 141 W at the testing repetition rate of 55 kHz.
Metabolically Healthy Obesity and Risk for Atrial Fibrillation: The HUNT Study
Authors: Feng Tingting , Vegard Malmo , Strand Linn B. , Laugsand Lars E. , Mørkedal Bjørn , Aune Dagfinn , Vatten Lars , Ellekjær Hanne , Loennechen Jan P. , Mukamal Kenneth , Janszky Imre 
Published: January 2019

ObjectiveAtrial fibrillation (AF) is the most common arrhythmia and has been described as a global epidemic. Although AF is associated with both obesity and its metabolic consequences, little is known about the association between metabolically healthy obesity and AF.MethodsIn a population‐based study, 47,870 adults were followed for incident AF from 2006 to 2008 until 2015. Participants were classified according to BMI and metabolic status (using waist circumference, triglycerides, high‐density lipoprotein cholesterol, blood pressure, and glucose) at baseline.ResultsDuring a median follow‐up of 8.1 years, 1,758 participants developed AF. Compared with metabolically healthy individuals with BMI < 25 kg/m2, the multivariable‐adjusted hazard ratios for metabolically healthy and unhealthy obesity were 1.6 (95% CI: 1.2 to 2.1) and 1.6 (95% CI: 1.3 to 1.9), respectively. AF risk increased according to the severity of obesity.ConclusionsMetabolically healthy and unhealthy obesity increased AF risk to a similar extent. Severity of obesity was positively associated with AF risk regardless of metabolic status.