bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermal Stimuli‐Triggered Drug Release from a Biocompatible Porous Metal–Organic Framework
Authors: Jiang Ke , Zhang Ling , Hu Quan , Zhang Qi , Lin Wenxin , Cui Yuanjing , Yang Yu , Qian Guodong 
Published: July 2017

AbstractDrug delivery carriers with a high drug loading capacity and biocompatibility, especially for controlled drug release, are urgently needed due to the side effects and frequently dose in the traditional therapeutic method. In our work, a Zr‐based metal–organic framework named ZJU‐801, which is isoreticular with NU‐801, has been designed and further demonstrated as an excellent drug delivery system (DDS) with a high drug loading of 41.7 %. Such a high drug loading capacity may be ascribed to the appropriate match of the size and the large pore volume of this kind of Zr MOF material. Compared with DS@NU‐801, this DDS has successfully achieved on‐command heating‐activated drug release, which was probably attributed to the bulkier ligand, the better stability, and the intense π–π interaction between ZJU‐801 and diclofenac sodium (DS) demonstrated comprehensively by SEM, powder X‐ray diffraction (PXRD), FTIR and 13C solid‐state NMR spectroscopy as well as computer simulations. It is worth noting that premature drug release was avoided effectively without any complicated post‐modifications. The low cytotoxicity and good biocompatibility of our DDS were certificated by the in vitro favorable results from an MTT assay, a WST‐1 assay, and confocal microscopy imaging.
“Conducted Tour” Migration of Li+ during the cis/trans Stereoinversion of α‐Arylvinyllithiums
Authors: Knorr Rudolf , Behringer Claudia , Ruhdorfer Jakob , von Roman Ulrich , Lattke Ernst , Böhrer Petra 
Published: July 2017

AbstractA “conducted tour” migration keeps a mobile client on a profitable route even though an occasional side‐step may seem attractive. A stereochemical manifestation of such a migration had been suggested by Donald J. Cram (1964), and we present now a different example that concerns the cis/trans stereoinversion of monomeric H2C=C(Li)‐aryl compounds: Upon tetrahydrofuran (THF)‐assisted heterolysis of the Li−C bond with formation of a solvent‐separated ion pair (SSIP), the unchained “mobile client” Li+(THF)4 is proposed to surmount the rim of the electronically fixed aryl group and to disdain the less encumbered pathways across the H2C=C region. This interpretation is based on knowledge from a previously published series of monomeric α‐arylalkenyllithiums in combination with two new members: 4‐(α‐lithiovinyl)‐2,2‐dimethylbenz[f]indane (1) revealed both a barrier against α‐aryl rotation and a route‐distinguishing retardation as compared with the corresponding migration‐dependent cis/trans stereoinversion rate constant of 1‐(α‐lithiovinyl)naphthalene (2). Monomeric and dimeric ground states of 1 and 2 and their microsolvation numbers were determined by using the recently developed primary and secondary NMR criteria.
Confined Sulfur in 3 D MXene/Reduced Graphene Oxide Hybrid Nanosheets for Lithium–Sulfur Battery
Authors: Bao Weizhai , Xie Xiuqiang , Xu Jing , Guo Xin , Song Jianjun , Wu Wenjian , Su Dawei , Wang Guoxiu 
Published: July 2017

AbstractThree‐dimensional metal carbide MXene/reduced graphene oxide hybrid nanosheets are prepared and applied as a cathode host material for lithium–sulfur batteries. The composite cathodes are obtained through a facile and effective two‐step liquid‐phase impregnation method. Owing to the unique 3 D layer structure and functional 2 D surfaces of MXene and reduced graphene oxide nanosheets for effective trapping of sulfur and lithium polysulfides, the MXene/reduced graphene oxide/sulfur composite cathodes deliver a high initial capacity of 1144.2 mAh g−1 at 0.5 C and a high level of capacity retention of 878.4 mAh g−1 after 300 cycles. It is demonstrated that hybrid metal carbide MXene/reduced graphene oxide nanosheets could be a promising cathode host material for lithium–sulfur batteries.
Semiconducting Coordination Polymers Based on the Predesigned Ternary Te‐Fe‐Cu Carbonyl Cluster and Conjugation‐Interrupted Dipyridyl Linkers
Authors: Shieh Minghuey , Yu Chia‐Chi , Miu Chia‐Yeh , Kung Chang‐Hung , Huang Chung‐Yi , Liu Yu‐Hsin , Liu Hsiang‐Lin , Shen Chih‐Chiang 
Published: July 2017

AbstractInvited for the cover of this issue is the group of Minghuey Shieh and Hsiang‐Lin Liu at the National Taiwan Normal University. The image depicts the mechanosynthesis of semiconducting coordination polymers and the electron communication facilitated by secondary forces within these frameworks. Read the full text of the article at 10.1002/chem.201701257.
Coexistence of Normal and Auxetic Behavior in a Thermally and Chemically Stable sp3 Nanothread: Poly[5]asterane
Authors: Saha Biswajit , Pratik Saied Md. , Datta Ayan 
Published: July 2017

AbstractA one‐dimensional nanostructure with sp3‐hybridized carbon atoms, namely, poly[5]asterane (PA), is predicted by means of electronic structure calculations and reactive molecular dynamics simulations. Thermochemical analysis based on homodesmotic reactions showed that the formation of poly[5]asterane is more favorable than that of polytriangulane and comparable to that of polytwistane. A plane‐wave DFT approach gave a computed Young's modulus of about 0.84 TPa, which is quite promising and comparable to those of other sp3‐hybridized nanothreads. Simulations of the desorption of hydrogen atoms from PA showed a high activation energy (Ea≈52 kcal mol−1), which again indicates substantial chemical stability. Interestingly, PA was shown to exhibit auxetic behavior (negative Poisson's ratio). Thus, PA is advocated as a new mechanically and chemically stable nanothread with exotic auxetic behavior.
Anomeric 2′‐Deoxycytidines and Silver Ions: Hybrid Base Pairs with Greatly Enhanced Stability and Efficient DNA Mismatch Detection with α‐dC
Authors: Guo Xiurong , Seela Frank 
Published: July 2017

Abstractα‐d‐Nucleosides are rare in nature but can develop fascinating properties when incorporated into DNA. This work reports on the first silver‐mediated base pair constructed from two anomeric nucleosides: α‐dC and β‐dC. The hybrid base pair was integrated into the DNA and DNA/RNA double helix. A 12‐mer duplex with α‐dC and β‐dC pair exhibits a higher thermal stability (Tm=43 °C) than that incorporating the β‐dC–Ag+–β‐dC homo pair (Tm=34 °C). Furthermore, α‐dC shows excellent mismatch discrimination for DNA single nucleotide polymorphism (SNP). All four SNPs were identified on the basis of large Tm value differences measured in the presence of silver ions. High resolution melting was not required.
Determination of ideal target exercise heart rate for cardiac patients suitable for rehabilitation
Authors: Tan Shih Jia Janice , Allen John Carson , Tan Swee Yaw 
Published: July 2017

BackgroundExercise prescription for patients with cardiovascular disease remains a challenge. The concept of exercising at an intensity equivalent to one's anaerobic threshold has been well studied and highly recommended in the fitness industry for other populations. For this concept to be applicable to patients with cardiovascular disease, the level and intensity of activity must not trigger myocardial ischemia.HypothesisWe hypothesized that the heart rate at ventilatory anaerobic threshold (HRVAT) will not exceed heart rate at ischemic threshold (HRIT) (ie, HRVAT ≤ HRIT in a majority [>50%] of patients).MethodsIn this retrospective pilot study, 19 patients, mean age at baseline of 45.0 ± 15.6 years, who had positive cardiopulmonary exercise stress testing were included. Heart rate at ventilatory anaerobic threshold (VAT) was derived from a computer‐analyzed V‐slope method. The ischemic threshold (IT) was determined from electrocardiogram. The exercise test parameters at VAT in relation to IT were examined.ResultsHeart rate at VAT preceded heart rate at IT in 89.5% of patients. On average, achievement of VAT preceded IT relative to workload (119.5 ± 49.6 vs 132.6 ± 47.5; P < 0.01), heart rate (121.2 ± 15.9 vs 133.3 ± 17.5; P < 0.01), oxygen consumption (19.3 ± 4.9 vs 20.8 ± 3.7; P < 0.01), and respiratory exchange ratio (0.96 ± 0.10 vs 1.01 ± 0.07; P < 0.01).ConclusionsGreater than 50% of patients met the criteria of HRVAT ≤ HRIT; therefore, we propose that anaerobic threshold is a suitable target aerobic exercise heart rate for all patients with cardiovascular diseases indicated for cardiopulmonary rehabilitation.
Tubulin acetylation: A novel functional avenue for CDYL in sperm
Authors: Parab Sweta , Dalvi Veena , Mylavaram Sushma , Kishore Abhipriya , Idicula‐Thomas Susan , Sonawane Shobha , Parte Priyanka 
Published: July 2017

AbstractMotility in sperm is driven by the flagella, the principal component of which is the axoneme. The microtubules which make up the 9 + 2 axoneme are composed of heterodimers of alpha and beta tubulins and undergo several post‐translational modifications. We have earlier reported that HDAC6 functions as tubulin deacetylase in sperm and has a role in sperm movement. While exploring the specific tubulin acetyltransferase (TAT) in sperm, we observed the presence of Chromodomain Y‐Like (CDYL), on the principal piece of rat spermatozoa which compelled us to explore its function in sperm. CDYL was observed to be colocalized with acetylated alpha‐tubulin (Ac α Tubulin) in sperm flagella. Sperm axonemal fraction showed the presence of CDYL protein indicating its strong association with flagellar microtubules. Sequence alignment of CDYL chromo domain and Alpha tubulin acetyltransferase (αTAT1) revealed that of the 10 residues of αTAT1 known to be involved in α‐tubulin binding, 5 residues were identical and 1 was conserved between the two proteins. Docking of CDYL chromo domain and α‐tubulin showed that 6 of the 11 important binding residues of α‐tubulin showed an interaction with CDYL chromo domain. The putative CDYL chromodomain –α‐tubulin interaction was further confirmed by Microscale Thermophoresis. We further asserted the ability of recombinant CDYL and Sperm CDYL to acetylate soluble tubulin and microtubules in vitro. Acetylation of tubulin was increased over twofold in cells overexpressing CDYL. Thus, our studies convincingly demonstrate the ability of CDYL to moonlight as a tubulin acetyltransferase.
Carbon‐Dot/Natural‐Dye Sensitizer for TiO2 Solar Cells Prepared by a One‐Step Treatment of Celery Leaf Extract
Authors: Shen Zhangfeng , Guo Xiaochen , Liu Lihong , Sunarso Jaka , Wang Guiqiang , Wang Shaobin , Liu Shaomin 
Published: July 2017

AbstractAttempts have been made to create artificial photovoltaic (PV) devices that can harness sunlight in a clean and efficient way by mimicking natural photosynthesis processes. Inspired by the role of chlorophyll in photosynthesis, we introduced pheophytin‐ or pyropheophytin‐capped carbon dots (CDs) into the dye‐sensitized solar‐cell system. The CD hybrids were synthesized by means of a single‐step hydrothermal treatment of celery leaf extract. The effects of hydrothermal temperature on the physical properties of CDs and the survival rate of the natural dyes were studied. CDs heated at 120 °C (C‐120) display a relatively homogenous smaller particle size distribution and lower photoluminescence emission intensity relative to their counterparts obtained at higher temperatures. Heated at lower temperatures, the achieved CD hybrids contain a higher amount of surviving dye molecules which would be converted into pheophytins or pyropheophytins. The nanocrystalline TiO2 solar cells based on C‐120 gave the highest power conversion efficiency (PCE) of 0.48 % under AM 1.5G one full sun illumination, which can be compared favorably to the average value of 0.20 % normally reported for other biomass‐derived carbon‐dot‐sensitized devices. Besides functioning as a light sensitizer, C‐120 CDs with a lower amount of trap states can also work as an effective electron‐transfer intermediate to improve the interaction between the dye and TiO2 and suppress the photogenerated carrier recombination, thus improving solar‐cell performance.
Confirmation of recent heroin abuse: Accepting the challenge
Authors: Maas Alexandra , Madea Burkhard , Hess Cornelius 
Published: July 2017

AbstractConfirmation or exclusion of recent heroin consumption is still one of the major challenges for forensic and clinical toxicologists. A great variety of biomarkers is available for heroin abuse confirmation, including various opium alkaloids (eg, morphine, codeine), street heroin impurities (eg, 6‐acetylcodeine [6‐AC], noscapine, papaverine) as well as associated metabolites (eg, 6‐monoacetylmorphine [6‐MAM], morphine glucuronides). However, the presence of most of these biomarkers cannot solely be attributed to a previous heroin administration but can, among other things, also be due to consumption of poppy seed products (‘poppy seed defense’), opium preparations or specific medications, respectively. A reliable allocation is of great importance in different contexts, for instance in the case of DUID (driving under the influence of drugs) investigations, in driving licence re‐granting processes, in workplace drug testing (WDT), as well as in post‐mortem identification of illicit opiate use. Additionally, differentiation between illicit street heroin abuse and pharmaceutical heroin administration is also important, especially within the frame of heroin‐assisted treatments. Therefore, analysis of multiple biomarkers is recommended when illicit opiate consumption is assumed to obtain the most reliable results possible. Beyond that, interpretation of positive opiate test results requires a profound insight into the great variety of biomarkers available and their validity regarding the alleged consumption. This paper aims to provide an overview of the wide variety of heroin abuse biomarkers described in the literature and to review them regarding their utility and reliability in daily routine analysis.
Capillary electrophoresis coupled with chloroform‐acetonitrile extraction for rapid and highly selective determination of cysteine and homocysteine levels in human blood plasma and urine
Authors: Ivanov Alexander Vladimirovich , Bulgakova Polina Olegovna , Virus Edward Danielevich , Kruglova Maria Petrovna , Alexandrin Valery Vasil'evich , Gadieva Viktoriya Aleksandrovna , Luzyanin Boris Petrovich , Kushlinskii Nikolai Evgen'evich , Fedoseev Anatolij Nikolaevich , Kubatiev Aslan Amirkhanovich 
Published: July 2017

AbstractA rapid and selective method has been developed for highly sensitive determination of total cysteine and homocysteine levels in human blood plasma and urine by capillary electrophoresis (CE) coupled with liquid–liquid extraction. Analytes were first derivatized with 1,1′‐thiocarbonyldiimidazole and then samples were purified by chloroform–ACN extraction. Electrophoretic separation was performed using 0.1 M phosphate with 30 mM triethanolamine, pH 2, containing 25 μM CTAB, 2.5 μM SDS, and 2.5% polyethylene glycol 600. Samples were injected into the capillary (with total length 32 cm and 50 μm id) at 2250 mbar*s and subsequent injection was performed for 30 s with 0.5 M KОН. The total analysis time was less than 9 min, accuracy was 98%, and precision was <2.6%. The LOD was 0.2 μM for homocysteine and 0.5 μM for cysteine. The use of liquid–liquid extraction allowed the precision and sensitivity of the CE method to be significantly increased. The validated method was applied to determine total cysteine and homocysteine content in human blood plasma and urine samples obtained from healthy volunteers and patients with kidney disorders.
Recent applications of nanomaterials in capillary electrophoresis
Authors: González‐Curbelo Miguel Ángel , Varela‐Martínez Diana Angélica , Socas‐Rodríguez Bárbara , Hernández‐Borges Javier 
Published: July 2017

AbstractNanomaterials have found an important place in Analytical Chemistry and, in particular, in Separation Science. Among them, metal‐organic frameworks, magnetic and non‐magnetic nanoparticles, carbon nanotubes and graphene, as well as their combinations, are the most important nanomaterials that have been used up to now. Concerning capillary electromigration techniques, these nanomaterials have also been used as both pseudostationary phases in electrokinetic chromatography (EKC) and as stationary phases in microchip capillary electrophoresis (CE) and capillary electrochromatography (CEC), as a result of their interesting and particular properties. This review article pretends to provide a general and critical revision of the most recent applications of nanomaterials in this field (period 2010–2017).
Effect of propanil, linuron, and dicamba on the degradation kinetics of 2,4‐dichlorophenoxyacetic acid by Burkholderia sp. A study by differential analysis of 2,4‐dichlorophenoxyacetic acid degradation data
Authors: Dorado‐Martínez Adriana , Ruiz‐Ordaz Nora , Galíndez‐Mayer Juvencio , Santoyo‐Tepole Fortunata , Ramos‐Monroy Oswaldo 
Published: July 2017

AbstractThe successive application of distinct pesticides, or mixtures of them, is a frequent practice that could adversely affect the microbial species inhabiting soil and aquatic ecosystems. The ability of soil or aquatic microbiota to degrade a pesticide could be affected by the presence of another. If the degradation rate of the first compound is inhibited, its dissipation half‐life in the environment could be hazardously enlarged. Few studies have been made to quantify the impact on the biodegradation rate of pesticides in soils or water by the presence of other pesticides. In this work, a method for assessing the effect of a pesticide on the biodegradation rate of another, measuring its effect on the biodegradation kinetics of a single bacterial strain is presented. The mathematical analysis is a powerful tool to study the stoichiometry and kinetics of microbial processes, which was used to evaluate independently, in detail, the effect of three pesticides (propanil, linuron, and dicamba) on the biodegradation kinetics of 2,4‐dichlorophenoxyacetic acid by a strain of Burkholderia sp. It was evidenced that linuron and dicamba caused a decay of more than 40% in the top instantaneous degradation rate of 2,4‐dichlorophenoxyacetic acid, while propanil showed a minimal effect.
The anatomical scaffold underlying the functional centrality of known cortical hubs
Authors: de Pasquale Francesco , Della Penna Stefania , Sabatini Umberto , Caravasso Falletta Chiara , Peran Patrice 
Published: July 2017

AbstractCortical hubs play a fundamental role in the functional architecture of brain connectivity at rest. However, the anatomical scaffold underlying their centrality is still under debate. Certainly, the brain function and anatomy are significantly entwined through synaptogenesis and pruning mechanisms that continuously reshape structural and functional connections. Thus, if hubs are expected to exhibit a large number of direct anatomical connections with the rest of the brain, such a dense wiring is extremely inefficient in energetic terms. In this work, we investigate these aspects on fMRI and DTI data from a set of know resting‐state networks, starting from the hypothesis that to promote integration, functional, and anatomical connections link different areas at different scales or hierarchies. Thus, we focused on the role of functional hubs in this hierarchical organization of functional and anatomical architectures. We found that these regions, from a structural point of view, are first linked to each other and successively to the rest of the brain. Thus, functionally central nodes seem to show few strong anatomical connections. These findings suggest an efficient strategy of the investigated cortical hubs in exploiting few direct anatomical connections to link functional hubs among each other that eventually reach the rest of the considered nodes through local indirect tracts. Hum Brain Mapp 38:5141–5160, 2017. © 2017 Wiley Periodicals, Inc.
Human monocytes downregulate innate response receptors following exposure to the microbial metabolite n‐butyrate
Authors: Lasitschka Felix , Giese Thomas , Paparella Marco , Kurzhals Stefan R. , Wabnitz Guido , Jacob Katrin , Gras Judith , Bode Konrad A. , Heninger Anne‐Kristin , Sziskzai Timea , Samstag Yvonne , Leszinski Cornelia , Jocher Bettina , Al‐Saeedi Mohammed , Meuer Stefan C. , Schröder‐Braunstein Jutta 
Published: July 2017

AbstractIntroductionHyporesponsiveness of human lamina propria immune cells to microbial and nutritional antigens represents one important feature of intestinal homeostasis. It is at least partially mediated by low expression of the innate response receptors CD11b, CD14, CD16 as well as the cystine‐glutamate transporter xCT on these cells. Milieu‐specific mechanisms leading to the down‐regulation of these receptors on circulating monocytes, the precursor cells of resident macrophages, are mostly unknown.MethodsHere, we addressed the question whether the short chain fatty acid n‐butyrate, a fermentation product of the mammalian gut microbiota exhibiting histone deacetylase inhibitory activity, is able to modulate expression of these receptors in human circulating monocytes.ResultsExposure to n‐butyrate resulted in the downregulation of CD11b, CD14, as well as CD16 surface expression on circulating monocytes. XCT transcript levels in circulating monocytes were also reduced following exposure to n‐butyrate. Importantly, treatment resulted in the downregulation of protein and gene expression of the transcription factor PU.1, which was shown to be at least partially required for the expression of CD16 in circulating monocytes. PU.1 expression in resident macrophages in situ was observed to be substantially lower in healthy when compared to inflamed colonic mucosa.ConclusionsIn summary, the intestinal microbiota may support symbiosis with the human host organism by n‐butyrate mediated downregulation of protein and gene expression of innate response receptors as well as xCT on circulating monocytes following recruitment to the lamina propria. Downregulation of CD16 gene expression may at least partially be caused at the transcriptional level by the n‐butyrate mediated decrease in expression of the transcription factor PU.1 in circulating monocytes.
Maternal nicotine exposure leads to decreased cardiac protein disulfide isomerase and impaired mitochondrial function in male rat offspring
Authors: Barra Nicole G. , Lisyansky Maria , Vanduzer Taylor A. , Raha Sandeep , Holloway Alison C. , Hardy Daniel B. 
Published: July 2017

AbstractSmoking throughout pregnancy can lead to complications during gestation, parturition and neonatal development. Thus, nicotine replacement therapies are a popular alternative thought to be safer than cigarettes. However, recent studies in rodents suggest that fetal and neonatal nicotine exposure alone results in cardiac dysfunction and high blood pressure. While it is well known that perinatal nicotine exposure causes increased congenital abnormalities, the mechanisms underlying longer‐term deficits in cardiac function are not completely understood. Recently, our laboratory demonstrated that nicotine impairs placental protein disulfide isomerase (PDI) triggering an increase in endoplasmic reticulum stress, leading us to hypothesize that this may also occur in the heart. At 3 months of age, nicotine‐exposed offspring had 45% decreased PDI levels in the absence of endoplasmic reticulum stress. Given the association of PDI and superoxide dismutase enzymes, we further observed that antioxidant superoxide dismutase‐2 levels were reduced by 32% in these offspring concomitant with a 26–49% decrease in mitochondrial complex proteins (I, II, IV and V) and tissue inhibitor of metalloproteinase‐4, a critical matrix metalloprotease for cardiac contractility and health. Collectively, this study suggests that perinatal nicotine exposure decreases PDI, which can promote oxidative damage and mitochondrial damage, associated with a premature decline in cardiac function.