bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tuning PtII‐Based Donor–Acceptor Systems through Ligand Design: Effects on Frontier Orbitals, Redox Potentials, UV/Vis/NIR Absorptions, Electrochromism, and Photocatalysis
Authors: Sobottka Sebastian , Nößler Maite , Ostericher Andrew L. , Hermann Gunter , Subat Noah Z. , Beerhues Julia , Behr‐van der Meer Margarethe , Suntrup Lisa , Albold Uta , Hohloch Stephan , Tremblay Jean Christophe , Sarkar Biprajit 
Published: November 2019

AbstractAsymmetric platinum donor–acceptor complexes [(pimp)Pt(Q2−)] are presented in this work, in which pimp=[(2,4,6‐trimethylphenylimino)methyl]pyridine and Q2−=catecholate‐type donor ligands. The properties of the complexes are evaluated as a function of the donor ligands, and correlations are drawn among electrochemical, optical, and theoretical data. Special focus has been put on the spectroelectrochemical investigation of the complexes featuring sulfonyl‐substituted phenylendiamide ligands, which show redox‐induced linkage isomerism upon oxidation. Time‐dependent density functional theory (TD‐DFT) as well as electron flux density analysis have been employed to rationalize the optical spectra of the complexes and their reactivity. Compound 1 ([(pimp)Pt(Q2−)] with Q2−=3,5‐di‐tert‐butylcatecholate) was shown to be an efficient photosensitizer for molecular oxygen and was subsequently employed in photochemical cross‐dehydrogenative coupling (CDC) reactions. The results thus display new avenues for donor–acceptor systems, including their role as photocatalysts for organic transformations, and the possibility to introduce redox‐induced linkage isomerism in these compounds through the use of sulfonamide substituents on the donor ligands.
One Amine–3 Tasks: Reductive Coupling of Imines with Olefins in Batch and Flow
Authors: Lefebvre Quentin , Porta Riccardo , Millet Anthony , Jia Jiaqi , Rueping Magnus 
Published: November 2019

AbstractOwing to their wide range of biological properties, γ‐aminobutyric acid derivatives (GABA) have been extensively studied and found noteworthy industrial applications. However, atom‐economical and efficient processes for their production are scarce and would greatly benefit from further investigations. Herein, we demonstrate that an iridium‐based photocatalyst promotes the direct reductive cross‐coupling of imines with olefins upon irradiation with visible light to give GABA derivatives in good yields and selectivities. We also stress the enabling triple role of tributylamine additive in this process, discuss the advantages of strategies based on proton‐coupled electron transfer (PCET) and demonstrate the scale‐up of this reaction in continuous flow.
Ligand‐Mediated Regioselective Rhodium‐Catalyzed Benzotriazole–Allene Coupling: Mechanistic Exploration and Quantum Chemical Analysis
Authors: Sergeieva Tetiana , Hamlin Trevor A. , Okovytyy Sergiy , Breit Bernhard , Bickelhaupt F. Matthias 
Published: November 2019

AbstractThe ligand‐controlled rhodium‐catalyzed regioselective coupling of 1,2,3‐benzotriazoles and allenes was investigated by DFT calculations. Because allylation can occur at either the N1 or N2 position of the 1,2,3‐benzotriazole, the complete Gibbs free energy profiles for both pathways were computed. A kinetic preference emerged for the experimentally observed N1 allylation with the JoSPOphos ligand, whereas N2 allylation was favored with DPEphos. Analysis of the regiodetermining oxidative addition step by using the activation strain model in conjunction with a matching energy decomposition analysis has revealed that the unprecedented N2 reaction regioselectivity is dictated by the strength of the electrostatic interactions between the 1,2,3‐benzotriazole and the rhodium catalyst. The nature of the electrostatic interaction was rationalized by analysis of the electrostatic potential maps and Hirshfeld charges: a stabilizing electrostatic interaction was found between the key atoms involved in the oxidative addition for the N2 pathway, analogous interactions are weaker in the N1 case.
Low‐dropout regulator with dual cross‐coupled current mirrors
Authors: Woo Yuet Ho , Leung Ka Nang , Zheng Yanqi , Guo Jianping 
Published: November 2019

SummaryA low‐dropout regulator (LDO) based on dual cross‐coupled current mirrors is reported in this paper. The proposed dual cross‐coupled current mirrors boost output signal current such that the loop gain of LDO is significantly enhanced, and the error amplifier in LDO retains single‐pole property within the loop bandwidth of LDO. Designed in a 65‐nm CMOS process and operating at a minimum of 1‐V supply, the proposed LDO provides a 0.8‐V output and delivers a maximum of 50 mA. The figure‐of‐merit of the proposed LDO is 8.9 ps.
Determination of S‐adenosylmethionine, S‐adenosylhomocysteine, and methylthioadenosine in urine using solvent‐modified micellar electrokinetic chromatography
Authors: Ivanov Alexander Vladimirovich , Kruglova Mariya Petrovna , Virus Edward Danielevich , Bulgakova Polina Olegovna , Vital'evich Grachev Sergei , Kubatiev Aslan Amirkhanovich 
Published: November 2019

AbstractA new approach for direct determination of S‐adenosylmethionine (SAM), S‐adenosylhomocysteine (SAH), and methylthioadenosine (MTA) in urine was developed based on MEKC by using SDS modified with isobutanol in the presence of PEG‐300. Analytes were first extracted with grafted phenylborononic acid. Using a 50 µm internal diameter silica capillary of 32 cm total length filled with 0.05 M SDS, 0.05 M H3PO4, 5% (v/v) isobutanol, and 10% (v/v) PEG‐300, LOQ of 0.15 µM for SAM and SAH, and 0.2 µM for MTA was reached. Accuracy was 92% for MTA, 109% for SAH, and 105% for SAM, intra‐ and interday imprecision were <2.5 and ≤3%, respectively. The total time of analysis for one sample was 10 min. Analysis of 30 urine samples from healthy volunteers showed that the median SAM and SAH levels were 12.1 and 0.73 µM, respectively. MTA levels, which were determined in urine for the first time (according to our data), were 0.43 µM, and these values correlated well with the SAM level (r = 0.748, p < 0.01).
Holocene paleogeographic evolution of an ancient port city of the central Mediterranean area: Natural and anthropogenic modifications from Salerno city, southern Italy
Authors: Amato Vincenzo , Aiello Giuseppe , Barra Diana , Caporaso Lucia , Caruso Tonino , Giaccio Biagio , Parisi Roberta  , Rossi Amedeo 
Published: November 2019

AbstractA multidiplisciplinary study, including geomorphological, lithostratigraphical, geochronological, geochemical, and paleontological investigations, was carried out in the coastal area of Salerno city, southern Italy. The study aimed to outline the Late Glacial‐Holocene geoenvironmental evolution of Salerno's port area in response to both natural and anthropogenic factors. The geomorphological study included an examination of historic maps, which enabled a detailed reconstruction of the coastal landscape change during historic times. Lithostratigraphical analyses of three new boreholes, supported by radiocarbon and tephrochronological data, and of previously retrieved core‐successions and archaeological trenches, extends our reconstruction of the paleogeographical evolution of the Salerno coastal area back to the Late Pleistocene. Geochemical and paleontological analyses of samples from the newly acquired cores were combined with the lithofacies analyses of previously retrieved cores to detect ancient harbors in the area of the current port facilities of the city and surrounding urban areas. This work contributes to scientific debate about the specific sedimentary architectures and geochemical properties of the Salerno harbor environment and refines methodological approaches for characterizing and assessing the evolution and demise of ancient port facilities in Mediterranean coastal cities.
White matter hyperintensities mediate gray matter volume and processing speed relationship in cognitively unimpaired participants
Authors: Brugulat‐Serrat Anna , Salvadó Gemma , Operto Grégory , Cacciaglia Raffaele , Sudre Carole H. , Grau‐Rivera Oriol , Suárez‐Calvet Marc , Falcon Carles , Sánchez‐Benavides Gonzalo , Gramunt Nina , Minguillon Carolina , Fauria Karine , Barkhof Frederik , Molinuevo José L. , Gispert Juan D. ,   ALFA Study
Published: November 2019

AbstractWhite matter hyperintensities (WMH) have been extensively associated with cognitive impairment and reductions in gray matter volume (GMv) independently. This study explored whether WMH lesion volume mediates the relationship between cerebral patterns of GMv and cognition in 521 (mean age 57.7 years) cognitively unimpaired middle‐aged individuals. Episodic memory (EM) was measured with the Memory Binding Test and executive functions (EF) using five WAIS‐IV subtests. WMH were automatically determined from T2 and FLAIR sequences and characterized using diffusion‐weighted imaging (DWI) parameters. WMH volume was entered as a mediator in a voxel‐wise mediation analysis relating GMv and cognitive performance (with both EM and EF composites and the individual tests independently). The mediation model was corrected by age, sex, education, number of Apolipoprotein E (APOE)‐ε4 alleles and total intracranial volume. We found that even at very low levels of WMH burden in the cohort (median volume of 3.2 mL), higher WMH lesion volume was significantly associated with a widespread pattern of lower GMv in temporal, frontal, and cerebellar areas. WMH mediated the relationship between GMv and EF, mainly driven by processing speed, but not EM. DWI parameters in these lesions were compatible with incipient demyelination and axonal loss. These findings lead to the reflection on the relevance of the control of cardiovascular risk factors in middle‐aged individuals as a valuable preventive strategy to reduce or delay cognitive decline.
Endothelial Bone Morphogenetic Protein 2 (Bmp2) Knockout Exacerbates Hemochromatosis in Homeostatic Iron Regulator (Hfe) Knockout Mice but not Bmp6 Knockout Mice
Authors: Xiao Xia , Dev Som , Canali Susanna , Bayer Abraham , Xu Yang , Agarwal Aneesh , Wang Chia‐Yu , Babitt Jodie L. 
Published: November 2019

Background and Aims
Bone morphogenetic proteins BMP2 and BMP6 play key roles in systemic iron homeostasis by regulating production of the iron hormone hepcidin. The homeostatic iron regulator (HFE) also regulates hepcidin through a mechanism that intersects with the BMP–mothers against decapentaplegic homolog 1/5/8 (SMAD1/5/8) pathway. However, the relative roles of BMP2 compared with BMP6 and whether HFE regulates hepcidin through a BMP2‐dependent mechanism remain uncertain.

Approach and Results
We therefore examined the iron phenotype of mice deficient for both Bmp2 and Bmp6 or both Bmp2 and Hfe compared with single knockout (KO) mice and littermate controls. Eight‐week‐old double endothelial Bmp6/Bmp2 KO mice exhibited a similar degree of hepcidin deficiency, serum iron overload, and tissue iron overload compared with single KO mice. Notably, dietary iron loading still induced liver SMAD5 phosphorylation and hepcidin in double Bmp6/endothelial Bmp2 KO mice, although no other BMP ligand mRNAs were increased in the livers of double KO mice, and only Bmp6 and Bmp2 mRNA were induced by dietary iron loading in wild‐type mice. In contrast, double Hfe/endothelial Bmp2 KO mice exhibited reduced hepcidin and increased extrahepatic iron loading compared to single Hfe or endothelial Bmp2 KO mice. Liver phosphorylated SMAD5 and the SMAD1/5/8 target inhibitor of DNA binding 1 (Id1) mRNA were also reduced in double Hfe/endothelial Bmp2 KO compared with single endothelial Bmp2 KO female mice. Finally, hepcidin and Id1 mRNA induction by homodimeric BMP2, homodimeric BMP6, and heterodimeric BMP2/6 were blunted in Hfe KO primary hepatocytes.

Conclusions
These data suggest that BMP2 and BMP6 work collaboratively to regulate hepcidin expression, that BMP2‐independent and BMP6‐independent SMAD1/5/8 signaling contributes a nonredundant role to hepcidin regulation by iron, and that HFE regulates hepcidin at least in part through a BMP2‐independent but SMAD1/5/8‐dependent mechanism.
Effect of using plastic nanofuel as a fuel in a light‐duty diesel engine
Authors: Kaimal Viswanath K. , Vijayabalan P. , Balachandar M. , Padmanaba Sundar S. , Sathyamurthy Ravishankar 
Published: November 2019

AbstractA novel nanofuel is formulated using aluminum oxide (alumina) nanoparticles (AONs) in neat plastic oil (PO). A light‐duty compression‐ignition engine is used in the present investigation to analyze the effect of a 100% plastic nanofuel under different concentrations of nanoparticle on performance, combustion, and emission characteristics. The modified fuels used for conducting the experiment were formulated by mixing PO with 100, 150, and 200 mg/L of AON. The results of the physical and chemical properties of neat PO were significantly improved, in addition to AON. The nanofuels exhibited lower in‐cylinder pressure, delay period, and combustion duration than that of neat PO operation. The performance analysis revealed a 10.3% increase in thermal efficiency for PAN200 nanofuel compared with PO and it was almost the same as that of conventional diesel fuel. The emission levels of HC, CO, and smoke for PO‐based nanofuels were reduced significantly at all brake mean effective pressure values, whereas the reduction in the NOX emission was only marginal. At full load, the emission of smoke, HC and CO of the PAN200 nanofuel were lower than the diesel operation. Overall, the engine fueled with nanofuel exhibited superior characteristics compared to that of neat PO operation.
Does the common law power to grant cross‐border insolvency assistance apply to an insolvency winding‐up that is voluntary? The reaction to Singularis from Singapore and Hong Kong
Authors: Qu Charles Zhen , Godwin Andrew 
Published: November 2019

AbstractIn many common law jurisdictions, the common law power of courts to grant assistance in respect of foreign insolvency proceedings exists independently of statute. The nature of the power, however, continues to generate debate. Obiter dicta of the Privy Council suggests that no assistance is available where the foreign proceeding is a voluntary winding‐up. This article evaluates the position by reference to Singapore and Hong Kong decisions and concludes that a refusal to grant assistance in circumstances involving an insolvent voluntary winding‐up is inconsistent with the principle of modified universalism and that a broader recognition test should be adopted.
Effect of the levonorgestrel‐releasing intrauterine system on cardiovascular risk markers among women with thrombophilia or previous venous thromboembolism
Authors: Braga Giordana C. , Brito Milena B. , Ferriani Rui A. , Oliveira Luciana C. , Garcia Andrea A. , Pintão Maria C. , Vieira Carolina S. 
Published: November 2019

AbstractObjectiveTo assess the effects of the levonorgestrel‐releasing intrauterine system (LNG‐IUS) on standard cardiovascular risk markers among women with thrombophilia and/or previous venous thromboembolism (VTE).MethodsA prospective cohort study enrolled women aged 18–45 years with thrombophilia and/or a history of VTE who received the 52‐mg LNG‐IUS (20 μg/d initial release) at the University of Ribeirão Preto Medical School, Brazil, from January 2006 to December 2015. Before and 12 months after LNG‐IUS placement, the following cardiovascular risk markers were assessed: lipid profile, body mass index (BMI), blood glucose, systolic blood pressure, diastolic blood pressure, and waist circumference. The primary outcome was changes in cardiovascular risk markers. A subanalysis of anticoagulant users versus non‐users was also conducted.ResultsIn total, 45 women were enrolled. BMI increased by 2.3% after 12 months of LNG‐IUS placement (P < 0.01), but the other risk factors did not change. Cardiovascular risk markers were similar between anticoagulant users and non‐users after 12 months of LNG‐IUS use.ConclusionAmong women with thrombophilia and/or previous VTE, cardiovascular risk markers were not found to change significantly after 12 months of LNG‐IUS use. The study adds safety information regarding use of the LNG‐IUS for women at risk of thromboembolism.
Nanoscale control of grain boundary potential barrier, dopant density and filled trap state density for higher efficiency perovskite solar cells
Authors: Bahrami Behzad , Mabrouk Sally , Adhikari Nirmal , Elbohy Hytham , Gurung Ashim , Reza Khan M. , Pathak Rajesh , Chowdhury Ashraful H. , Saianand Gopalan , Yue Wenjin , Zai Jiantao , Qian Xuefeng , Liang Mao , Qiao Qiquan 
Published: November 2019

AbstractIn this work, grain boundary (GB) potential barrier (
Δφ
GB), dopant density (Pnet), and filled trap state density (PGB,trap) were manipulated at the nanoscale by exposing the fabricated perovskite films to various relative humidity (RH) environments. Spatial mapping of surface potential in the perovskite film revealed higher positive potential at GBs than inside the grains. The average
Δφ
GB, Pnet, and PGB,trap in the perovskite films decreased from 0% RH to 25% RH exposure, but increased when the RH increased to 35% RH and 45% RH. This clearly indicated that perovskite solar cells fabricated at 25% RH led to the lowest average GB potential, smallest dopant density, and least filled trap states density. This is consistent with the highest photovoltaic efficiency of 18.16% at 25% RH among the different relative humidities from 0% to 45% RH.image
Infinite families of 2‐designs from a class of cyclic codes
Authors: Du Xiaoni , Wang Rong , Fan Cuiling 
Published: November 2019

AbstractCombinatorial ‐designs have wide applications in coding theory, cryptography, communications, and statistics. It is well known that the supports of all codewords with a fixed weight in a code may give a ‐design. In this paper, we first determine the weight distributions of a class of linear codes derived from the dual of some extended cyclic codes. We then obtain infinite families of 2‐designs and explicitly compute their parameters from the supports of all the codewords with a fixed weight in the codes. By a simple counting argument, we obtain exponentially many 2‐designs.
Dynamic relationships between emotional distress, persecutory ideation, and metacognition in schizophrenia
Authors: Buck Benjamin , Gagen Emily C. , Luther Lauren , Kukla Marina , Lysaker Paul H. 
Published: November 2019

AbstractObjectiveDetermine whether metacognitive capacity (i.e., a range of abilities that involve recognition, reflection, and integration of mental states) influences the relationships between emotional distress and persecutory ideation (PI).MethodsThe present study examined emotional distress, metacognition and PI in a sample (n = 337) of individuals with schizophrenia or schizoaffective disorder and clinician‐rated PI. Pearson and partial correlations were used to examine relationships between variables, as well as between‐subjects analysis of variances to compare groups characterized based on emotional distress and persecutory ideation scores.ResultsWhile emotional distress and PI are associated with one another, metacognition is negatively associated with PI and positively associated with emotional distress. Subgroup comparisons demonstrated that individuals with high emotional distress and low PI had significantly higher metacognitive capacity than those elevated in PI or reduced in both emotional distress and PI.ConclusionsFindings suggest metacognitive capacity may relate to improved awareness of distress and reduced PI.
The life‐enhancing alcohol‐management program: Results from a 6‐month nonrandomized controlled pilot study assessing a community based participatory research program in housing first
Authors: Clifasefi Seema L. , Collins Susan E. ,   The LEAP Advisory Board
Published: November 2019

AbstractA 2‐arm, 6‐month, nonrandomized controlled pilot trial was conducted to test the initial effectiveness of the Life Enhancing Alcohol‐management Program (LEAP) as an adjunct to Housing First (HF; e.g., permanent supportive housing) on alcohol and quality‐of‐life (QoL) outcomes. The LEAP entails resident‐driven leadership opportunities, meaningful activities, and pathways to recovery aimed at reducing alcohol‐related harm and improving QoL. Data analyses were conducted to test between‐ and within‐subjects effects of the LEAP on self‐reported alcohol and QoL outcomes among HF residents. At the 6‐month follow up, between groups analysis revealed nonsignificant findings for alcohol quantity or alcohol‐related harm (ps  >  0.06); however, LEAP participants reported significantly more engagement in meaningful activities than control participants (p  <  .001), and within‐subjects analyses indicated that high levels of LEAP programming engagement predicted significant reductions in alcohol quantity and alcohol‐related harm (ps  <  0.01). The LEAP was associated with increased engagement in meaningful activities, and greater involvement in the LEAP programming was associated with reduced alcohol use and alcohol‐related harm. Planning is underway for a future, large‐scale randomized controlled trial to establish the efficacy of this approach, its generalizability across HF programs, and potential mechanisms of action.
The emergence of subgenotype ON‐1 of Human orthopneumovirus type A in Riyadh, Saudi Arabia: A new episode of the virus epidemiological dynamic
Authors: Farrag Mohamed A. , Amer Haitham M. , Aziz Ibrahim M. , Alsaleh Asma N. , Almajhdi Fahad N. 
Published: November 2019

AbstractLower respiratory tract infections caused by Human orthopneumovirus are still a threat to the pediatric population worldwide. To date, the molecular epidemiology of the virus in Saudi Arabia has not been adequately charted. In this study, a total of 205 nasopharyngeal aspirate samples were collected from hospitalized children with lower respiratory tract symptoms during the winter seasons of 2014/15 and 2015/16. Human orthopneumovirus was detected in 89 (43.4%) samples, of which 56 (27.3%) were positive for type A and 33 (16.1%) were positive for type B viruses. The fragment that spans the two hypervariable regions (HVR1 and HVR2) of the G gene of Human orthopneumovirus A was amplified and sequenced. Sequence and phylogenetic analyses have revealed a genotype shift from NA1 to ON‐1, which was prevalent during the winter seasons of 2007/08 and 2008/09. Based on the intergenotypic p‐distance values, ON‐1 was reclassified as a subgenotype of the most predominant genotype GA2. Three conserved N‐glycosylation sites were observed in the HVR2 of Saudi ON‐1 strains. The presence of a 23 amino acid duplicated region in ON‐1 strains resulted in a higher number of O‐glycosylation sites as compared to other genotypes. The data presented in this report outlined the replacement of NA1 and NA2 subgenotypes in Saudi Arabia with ON‐1 within 7 to 8 years. The continuous evolution of Human orthopneumovirus through point mutations and nucleotide duplication may explain its ability to cause recurrent infections.