bluuebunny/crossref_metadata_2025_split huggingface dataset:
Einstellbare orthogonale reversible kovalente Bindungen: dynamische Kontrolle über die molekulare Selbstorganisation
Authors: Reuther James F. , Dahlhauser Samuel D. , Anslyn Eric V. 
Published: August 2018

AbstractDie dynamische Selbstorganisation von Makromolekülen in biologischen Systemen ist ein Grundprozess des Lebens und beruht herkömmlicherweise auf nichtkovalenten Wechselwirkungen. Allerdings bieten dynamische Gleichgewichte mit reversiblen kovalenten Bindungen eine vielversprechende Option zum Design von Funktionsmaterialien, zum Bottom‐up‐Aufbau und für molekulare Maschinen. In diesem Kurzaufsatz werden aktuelle Fortschritte und Anwendungen im Bereich der einstellbaren orthogonalen reversiblen kovalenten Bindungen (Tunable Orthogonal Reversible Covalent (TORC) bonds) in den genannten Bereichen dargelegt, und es wird ein Ausblick auf zukünftige Entwicklungsmöglichkeiten, besonders bei synthetisch codierten Polynukleotidmimetika, gegeben.
Intermetalloid Clusters: Molecules and Solids in a Dialogue
Authors: Mayer Kerstin , Weßing Jana , Fässler Thomas F. , Fischer Roland A. 
Published: August 2018

AbstractAtom‐precise, ligand‐stabilized metalloid clusters have emerged as outstanding model systems to study fundamental structure and bonding situations of compositionally related molecules and extended solid phases. However, this fascinating field of research is still largely restricted to homometallic and pseudo‐heterometallic systems of closely related d‐block metals. In this review, we will highlight our own and others’ efforts to project the structural and compositional diversity of intermetallics with dissimilar d‐ and p‐block metal combinations, particularly the Zintl and Hume‐Rothery phases, onto the molecular level in order to bridge the still gaping chasm between heterometallic molecular coordination chemistry and solid‐state intermetallics. Herein, fundamental synthetic approaches, as well as structural and electronic properties of thus accessible “molecular alloys” will be addressed, and placed against their exceptional position as intermediates on the way to nanomaterials.
Supramolecular Metallopolymers: From Linear Materials to Infinite Networks
Authors: Bentz Kyle C. , Cohen Seth M. 
Published: August 2018

AbstractThe fields of coordination polymers (CPs) and supramolecular metallopolymers (SMPs) have been extensively studied for decades. Spectacular recent advances in both fields have created new compounds that lie at the interface between these two classes of organic‐inorganic hybrid materials. At this interface, materials based on molecular weaving, supramolecular clusters, and metal‐organic framework‐polymer hybrids have emerged. This minireview provides a perspective on the intellectual emergence and connection between different supramolecular constructs and the state of the art with respect to this new materials interface.
Tunable Orthogonal Reversible Covalent (TORC) Bonds: Dynamic Chemical Control over Molecular Assembly
Authors: Reuther James F. , Dahlhauser Samuel D. , Anslyn Eric V. 
Published: August 2018

AbstractDynamic assembly of macromolecules in biological systems is one of the fundamental processes that facilitates life. Although such assembly most commonly uses noncovalent interactions, a set of dynamic reactions involving reversible covalent bonding is actively being exploited for the design of functional materials, bottom‐up assembly, and molecular machines. This Minireview highlights recent implementations and advancements in the area of tunable orthogonal reversible covalent (TORC) bonds for these purposes, and provides an outlook for their expansion, including the development of synthetically encoded polynucleotide mimics.
Lyotropic Chromonic Mesophases Derived from Metal–Organic Complexes
Authors: Gao Qin , Zou Chao , Lu Wei 
Published: August 2018

AbstractLyotropic chromonic (LC) mesophases have received a large amount of attention, owing to the semi‐stable nature of the chromonics. In these systems, the balance between the ordering forces and the thermal motion is delicate. As such, temperature changes, concentration variations, alterations to the electric and magnetic fields, and the addition of additives to the chromonic systems can be sensitively monitored. Herein, we review the general characterization methods for lyotropic chromonic mesophases, including polarized optical microscopy (POM), multinuclear NMR spectroscopy, X‐ray diffractometry, cryo‐TEM, and rheology. In recent years, lyotropic chromonic mesophases that are derived from metal–organic complexes have become established and offer the possibility of introducing the rich functionalities of the metal complexes into these systems. The chromonic properties, aggregation behaviors, and influence factors on such systems are reviewed case‐by‐case. Finally, preliminary attempts to utilize these systems are reviewed, which have demonstrated their potential application in optical devices, biosensing, luminescent materials, etc.
Triamterene‐Grafted Graphitic Carbon Nitride with Electronic Potential Redistribution for Efficient Photocatalytic Hydrogen Evolution
Authors: Sun Miao , Li Kui , Zhang Wei‐De , Yu Yu‐Xiang 
Published: August 2018

AbstractIn this study, a photocatalyst with a distorted skeleton and synthesized by grafting triamterene onto graphitic carbon nitride (g‐C3N4) frameworks was prepared. The pteridine ring of the triamterene‐based nitrogen‐enriched organic structure functions as a trapped electron site owing to its inductive effect. The benzene ring in triamterene plays an important role in the even dispersion of electrons by a conjugative effect. Redistribution of the intramolecular electronic potential is caused by a synergistic effect between the pteridine and benzene rings of triamterene and promotes separation and migration of the photoinduced charge carriers. After coupling with triamterene, the π electrons of g‐C3N4 are relocated; that is, the intrinsic electronic and band structures of g‐C3N4 are effectively modulated. The modified polymeric photocatalyst shows a high photocatalytic H2 evolution rate of 157.5 μmol h−1, a value that is 4.3 times higher than the H2 evolution rate of pristine g‐C3N4 (36.8 μmol h−1), with an apparent quantum efficiency of 9.7 % at λ=450 nm. The incorporation of triamterene into the g‐C3N4 frameworks significantly expands its π‐delocalized system by redistribution of the electronic potential, expands the visible‐light absorption range, and effectively promotes the separation and migration of photoinduced charge carriers. This strategy may provide a reference for promoting charge separation of g‐C3N4 through redistribution of the electronic potential and for synthesizing novel carbon nitride based semiconductors for efficient solar energy conversion into hydrogen.
Metabolism of steroids by cytochrome P450 2C9 variants
Authors: Uno Tomohide , Nakano Ryosuke , Kitagawa Risa , Okada Mai , Kanamaru Kengo , Takenaka Shinji , Uno Yuichi , Imaishi Hiromasa 
Published: August 2018

AbstractCYP2C9 is a human microsomal cytochrome P450c (CYP). Much variation in CYP2C9 levels and activity can be attributed to polymorphisms of this gene. Wild‐type CYP2C9 and ten mutants were co‐expressed with NADPH‐cytochrome P450 reductase in Escherichia coli. The hydroxylase activities toward steroids were examined. CYP2C9.2, CYP2C9.3, CYP2C9.4, CYP2C9.16, CYP2C9.28, CYP2C9.48 and CYP2C9.52 had higher testosterone 6β‐hydroxylation than CYP2C9.1. CYP2C9.4 showed higher progesterone 6β‐hydroxylation activity than CYP2C9.1. CYP2C9.28 and CYP2C9.48 showed higher progesterone 11α‐hydroxylation activity than CYP2C9.1. CYP2C9.48 showed higher progesterone 16α‐hydroxylation activity than CYP2C9.1. CYP2C9.2, CYP2C9.3, CYP2C9.16 and CYP2C9.30 had higher estrone 16α‐hydroxylation activity than CYP2C9.1. CYP2C9.3 had higher estrone 11α‐hydroxylation activity than CYP2C9.1. CYP2C9.39 and CYP2C9.57 showed similar activities to CYP2C9.1. These results indicate that the substrate specificity of CYP2C9.39 and CYP2C9.57 was not changed, but CYP2C9.2, CYP2C9.3, CYP2C9.4, CYP2C9.16, CYP2C9.28, CYP2C9.30, CYP2C9.48 and CYP2C9.52 showed different hydroxylation activities toward steroids compared with CYP2C9.1.
Porous Organic Polymers for CO2 Storage and Conversion Reactions
Authors: Bhanja Piyali , Modak Arindam , Bhaumik Asim 
Published: August 2018

AbstractTo overcome the challenges of global warming and environmental pollution it is mandatory to reduce the concentration of atmospheric carbon dioxide (CO2), which is largely accumulated in air through the combustion of fossil fuels. Thus, sequestration of CO2 through physisorption on solid adsorbents and their successful conversion into value added fine chemicals are the major priority areas of research today. Innovation of efficient solid CO2‐philic adsorbents together with their high mechanical/chemical stability and regeneration efficiency are the most challenging objectives to achieve this goal. In this context, porous organic polymers (POPs) owing to their high specific surface area, chemical stability, nanoscale porosity and structural diversity have huge potential to play as selective CO2 adsorbent. POPs synthesized through large varieties of reactive monomers via simple and convenient chemical routes can be the ideal adsorbents for the CO2 storage and fixation reactions. A wide range of POPs can be synthesized from different multidentate amines, aldehydes, carboxylic acids or triazine monomers through the polycondensation reactions or solid state condensation reactions. Ease of synthesis, uniform pore width together with high surface area and surface basic sites (nitrogen and other heteroelements) play crucial role in the CO2 absorption and conversion reactions. This review provides a concise account in designing POPs and their application in CO2 adsorption and fixation into reactive organic molecules for the synthesis of fuels and value added fine chemicals.
Staple‐Based Paper Electrochemical Platform for Celiac Disease Diagnosis
Authors: Nanni Paula I. , González‐López Andrea , Nunez‐Bajo Estefanía , Madrid Rossana E. , Fernández‐Abedul M. T. 
Published: August 2018

AbstractA staple‐based electrochemical platform is proposed for the first time as a simple and low‐cost detection system for paper‐based devices. The system, which incorporates small and disposable stainless‐steel staples as electrodes, is combined with a paper strip. The staple acting as the working electrode is modified with carbon ink. The platform was carefully optimized with ferrocene carboxylic acid. As a proof‐of‐concept, it was employed for the enzymatic [horseradish peroxidase (HRP)‐based] immunoelectroanalytical detection of human tissue anti‐transglutaminase (anti‐tTG), which is a biomarker for celiac disease diagnosis. The intensity of the current from the electrochemical reduction of 3,3′,5,5′‐tetramethylbenzidine (an HRP substrate) was recorded chronoamperometrically at −0.2 V in different paper areas. A linear relationship between the current measured at 30 s and the logarithm of the concentration of anti‐tTG in the range comprised between 3 and 100 U mL−1 was obtained. Negative and positive controls produced expected values. Results demonstrated that the paper/staple combined platform is very convenient for the detection of electroactive analytes and other compounds that can be determined indirectly in bioassays.
The Coming of Age in Iodane‐Guided ortho‐C−H Propargylation: From Insight to Synthetic Potential
Authors: Izquierdo Susana , Bouvet Sébastien , Wu Yichen , Molina Sonia , Shafir Alexandr 
Published: August 2018

AbstractAs early as 1991 Ochiai et al. reported that an acid‐activated form of phenyliodine diacetate, PhI(OAc)2, undergoes a reaction with propargyl‐silanes, germanes and stannanes to give the ortho‐propargyl iodobenzene. This formal C−H alkylation was proposed to take place through an unusual (even to date) iodonio‐based [3,3] rearrangement of an intermediate allenylsilane. Although this mechanistic principle has been invoked in related iodane‐directed C−H coupling reaction, some underlying principles have remained unaddressed, and the reaction rarely employed. Herein, DFT evidence for a mechanism best described as iodine‐guided electrophilic aromatic substitution is presented. Using a newly optimized reaction protocol that significantly reduces the undesired reduction process, the potency of the method is showcased through the synthesis of >40 structurally diverse ortho‐iodo propargyl (or allenyl) arenes.
3‐Mono‐Substituted BINOL Phosphoric Acids as Effective Organocatalysts in Direct Enantioselective Friedel–Crafts‐Type Alkylation of N‐Unprotected α‐Ketiminoester
Authors: Yonesaki Ryohei , Kondo Yuta , Akkad Walaa , Sawa Masanao , Morisaki Kazuhiro , Morimoto Hiroyuki , Ohshima Takashi 
Published: August 2018

AbstractAlthough BINOL‐derived phosphoric acids are among the most widely used chiral Brønsted acid organocatalysts, their structures are mostly limited to 3,3′‐disubstituted ones and simple 3‐mono‐substituted ones without any polar functionalities on the 3‐substituent have not been used in highly enantioselective reactions. This work reports such 3‐mono‐substituted analogues as effective organocatalysts in direct highly enantioselective Friedel–Crafts‐type alkylation of N‐unprotected α‐ketiminoester. The origin of the observed high enantioselectivity with the 3‐mono‐substituted catalyst is also discussed.
Association of Healthcare Plan with atrial fibrillation prescription patterns
Authors: Chang Andrew Young , Askari Mariam , Fan Jun , Heidenreich Paul A. , Michael Ho P. , Mahaffey Kenneth W. , Ullal Aditya Jathin , Perino Alexander Carroll , Turakhia Mintu P. 
Published: August 2018

BackgroundAtrial fibrillation (AF) is treated by many types of physician specialists, including primary care physicians (PCPs). Health plans have different policies for how patients encounter these providers, and these may affect selection of AF treatment strategy.HypothesisWe hypothesized that healthcare plans with PCP‐gatekeeping to specialist access may be associated with different pharmacologic treatments for AF.MethodsWe performed a retrospective cohort study using a commercial pharmaceutical claims database. We utilized logistic regression models to compare odds of prescription of oral anticoagulant (OAC), non‐vitamin K‐dependent oral anticoagulant (NOAC), rate control, and rhythm control medications used to treat AF between patients with PCP‐gated healthcare plans (eg, HMO, EPO, POS) and patients with non‐PCP‐gated healthcare plans (eg, PPO, CHDP, HDHP, comprehensive) between 2007 and 2012. We also calculated median time to receipt of therapy within 90 days of index AF diagnosis.ResultsWe found similar odds of OAC prescription at 90 days following new AF diagnosis in patients with PCP‐gated plans compared to those with non‐PCP‐gated plans (OR: OAC 1.01, P = 0.84; warfarin 1.05, P = 0.08). Relative odds were similar for rate control (1.17, P < 0.01) and rhythm control agents (0.93, P = 0.03). However, PCP‐gated plan patients had slightly lower likelihood of being prescribed NOACs (0.82, P = 0.001) than non‐gated plan patients. Elapsed time until receipt of medication was similar between PCP‐gated and non‐gated groups across drug classes.ConclusionsPharmaceutical claims data do not suggest that PCP‐gatekeeping by healthcare plans is a structural barrier to AF therapy, although it was associated with lower use of NOACs.
Synthesis and Biological in vitro and in vivo Evaluation of 2‐(5‐Nitroindazol‐1‐yl)ethylamines and Related Compounds as Potential Therapeutic Alternatives for Chagas Disease
Authors: Martín‐Escolano Rubén , Aguilera‐Venegas Benjamín , Marín Clotilde , Martín‐Montes Álvaro , Martín‐Escolano Javier , Medina‐Carmona Encarnación , Arán Vicente J. , Sánchez‐Moreno Manuel 
Published: August 2018

AbstractChagas disease, a neglected tropical disease caused by infection with the protozoan parasite Trypanosoma cruzi, is a potentially life‐threatening illness that affects 5–8 million people in Latin America, and more than 10 million people worldwide. It is characterized by an acute phase, which is partly resolved by the immune system, but then develops as a chronic disease without an effective treatment. There is an urgent need for new antiprotozoal agents, as the current standard therapeutic options based on benznidazole and nifurtimox are characterized by limited efficacy, toxicity, and frequent failures in treatment. In vitro and in vivo assays were used to identify some new low‐cost 5‐nitroindazoles as a potential antichagasic therapeutic alternative. Compound 16 (3‐benzyloxy‐5‐nitro‐1‐vinyl‐1H‐indazole) showed improved efficiency and lower toxicity than benznidazole in both in vitro and in vivo experiments, and its trypanocidal activity seems to be related to its effect at the mitochondrial level. Therefore, compound 16 is a promising candidate for the development of a new anti‐Chagas agent, and further preclinical evaluation should be considered.
A trajectory analysis of childhood motor development following stress in pregnancy: The QF2011 flood study
Authors: Simcock Gabrielle , Laplante David P. , Elgbeili Guillaume , Kildea Sue , King Suzanne 
Published: August 2018

AbstractThis prospective, longitudinal cohort study examined the effects of flood‐related stress in pregnancy on the trajectory of children's motor development; and the moderating effects of gestational timing of the flood or sex of the child. Women who were pregnant during a severe flood reported on their objective flood‐related experiences, emotional reactions, and cognitive appraisal of the disaster. At 2‐, 6‐, 16‐months, 2½‐ and 4‐years postpartum, mothers’ assessed their children's fine and gross motor development using the Ages and Stages‐3 Questionnaire. High objective flood‐exposure, or a negative appraisal, especially in later pregnancy, predicted poorer gross motor skills which rapidly improved across early childhood. Children's fine motor skill was influenced by the sex of the child with improvements in girls’ fine motor skills over time, but not boys’. This demonstrates that stress in pregnancy has enduring influences on gross, but not fine, motor skills. Results are discussed in relation to fetal programming and stress appraisal theory.
Flawed mothering or infant signaling? The effects of deficient acoustic cues on ovine maternal response
Authors: Morton Christine L. , Hinch Geoff , Small Alison , McDonald Paul G. 
Published: August 2018

AbstractThe neonate distress cry, which displays a similar acoustic structure across a range of mammalian species, is highly effective in attracting, even compelling, parental care. However, if this cry is defective, as found in human and rodent neonates with poor neurobehavioral function, is the signal less enticing? Using playback recordings of a ewe's own co‐twins as stimuli in a two choice test, we compared the preference of each sheep dam for acoustic features of lamb distress calls to assess the impact of signal quality on maternal response. The results of this study indicate that lamb vocalizations with acoustic parameters reflecting poor vocal fold engagement and arousal were less likely to be preferred by their dam. Additionally, these calls were associated with delayed vocal initiation and poor infant survival behavior suggestive of subtle cognitive deficit; and support the possibility that, as in deer and rodents, ovine vocalizations within a specific fundamental frequency range may well be a trigger for optimal maternal behavior. This research has important implications for understanding failed maternal–young interactions in ungulate and other species, and for verifying standardization of infant stimuli used in maternal behavior studies.
Gene expression profiles of rat MMECs with different glucose levels and fgl2 gene silencing
Authors: Zheng Zhenzhong , Zhang Fan , Gao Dengpeng , Wu Yujing , Wu Hao 
Published: August 2018

AbstractBackgroundCardiac microvascular endothelial cells (MMECs) is one of the key factors in the process of diabetic cardiomyopathy, a common chronic complication of diabetes. Fibrinogen‐like protein 2 (FGL2) is linked to apoptosis, angiogenesis, and inflammatory response, all of which also occur in diabetes. Thus, we investigate the role of FGL 2 and other genes in the pathology of diabetic cardiomyopathy.MethodsIn the present study, we used high‐throughput microarray to profile gene expression in rat myocardial MMECs with or without silencing the fgl2 gene and in different glucose environments. We use volcanic maps to isolate genes with significantly different expression levels between conditions, using the standard statistical criteria of fold changes ≥1.5 and P‐values ≤0.05. From this list, we identified genes with the most signicant changes in RNA levels and confirmed their protein‐level changes with Western blot. Furthermore, bioinformatic analysis predicts possible pathophysiology and clinical relevance of these proteins in diabetic cardiomyopathy.ResultsWe identified 17 upregulated and 15 downregulated genes caused by silencing fgl2 gene. Most of them are involved in metabolism, ion transport, cell membrane surface recognition signal modification, inflammatory response, and immune response. Using Western blot, we were able to confirm protein‐level expression changes of three genes. Specifically, in both normal and high glucose conditions, silencing fgl2 significantly decreased the expression levels of CCL3 and PLAGL1 while increasing the expression level of CTSC. Significantly, bioinformatic analyses show that CCL3 is related to type 1 diabetes, PLAGL1 to cardiomyocytes, and CTSC to albuminuria in type 2 diabetes.ConclusionsOur study provides clues for further studies on the mechanism of diabetic cardiomyopathy as well as function of FGL2 in this process, potentially offering new therapeutic strategies for treating diabetic cardiomyopathy.
Melatonin improves hyperglycemia induced damages in rat brain
Authors: Gurel‐Gokmen Begum , Ipekci Hazal , Oktay Sehkar , Alev Burcın , Ustundag Unsal Velı , Ak Esın , Akakın Dılek , Sener Goksel , Emekli‐Alturfan Ebru , Yarat Aysen , Tunali‐Akbay Tugba 
Published: August 2018

AbstractBackgroundDiabetes mellitus is an endocrine disorder which is characterized by the development of resistance to the cellular activity of insulin or inadequate insulin production. It leads to hyperglycemia, prolonged inflammation, and oxidative stress. Oxidative stress is assumed to play an important role in the development of diabetic complications. Melatonin is the hormone that interacts with insulin in diabetes. Therefore, in this study, the effects of melatonin treatment with or without insulin were examined in diabetic rat brain.MethodsRats were divided into five groups as control, diabetes, diabetes + insulin, diabetes + melatonin, and diabetes + melatonin + insulin. Experimental diabetes was induced by streptozotocin (60 mg/kg, i.p.). Twelve weeks after diabetes induction, rats were decapitated. Malondialdehyde, glutathione, sialic acid and nitric oxide levels, superoxide dismutase, catalase, glutathione‐S‐transferase, myeloperoxidase, and tissue factor activities were determined in brain tissue.ResultsMelatonin alone showed its antioxidant effect by increasing brain glutathione level, superoxide dismutase, catalase, and glutathione‐S‐transferase activities and decreasing malondialdehyde level in experimental diabetes. Although insulin did not have a significant effect on glutathione and glutathione‐S‐transferase, its effects on lipid peroxidation, superoxide dismutase, and catalase were similar to melatonin; insulin also decreased myolopeoxidase activity and increased tissue factor activity. Combined melatonin and insulin treatment mimicked the effects of insulin.ConclusionAddition of melatonin to the insulin treatment did not change the effects of insulin, but the detailed role of melatonin alone in the treatment of diabetes merits further experimental and clinical investigation.