bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and Metabolic Fate of 4‐Methylthiouridine in Bacterial tRNA
Authors: Borek Christoph , Reichle Valentin F. , Kellner Stefanie 
Published: May 2020

AbstractRibonucleic acid (RNA) is central to many life processes and, to fulfill its function, it has a substantial chemical variety in its building blocks. Enzymatic thiolation of uridine introduces 4‐thiouridine (s4U) into many bacterial transfer RNAs (tRNAs), which is used as a sensor for UV radiation. A similar modified nucleoside, 2‐thiocytidine, was recently found to be sulfur‐methylated especially in bacteria exposed to antibiotics and simple methylating reagents. Herein, we report the synthesis of 4‐methylthiouridine (ms4U) and confirm its presence and additional formation under stress in Escherichia coli. We used the synthetic ms4U for isotope dilution mass spectrometry and compared its abundance to other reported tRNA damage products. In addition, we applied sophisticated stable‐isotope pulse chase studies (NAIL‐MS) and showed its AlkB‐independent removal in vivo. Our findings reveal the complex nature of bacterial RNA damage repair.
First‐in‐human transcatheter pledget‐assisted suture tricuspid annuloplasty for severe tricuspid insufficiency
Authors: Greenbaum Adam B. , Khan Jaffar M. , Rogers Toby , Babaliaros Vasilis C. , Eng Marvin H. K. , Wang Dee Dee , Paone Gaetano , Lederman Robert J. 
Published: May 2020

AbstractObjectivesWe report the first pledget‐assisted suture tricuspid annuloplasty (PASTA) in a patient with torrential tricuspid regurgitation (TR).BackgroundTricuspid valve regurgitation is a common malignant disease with no commercially available transcatheter therapy. PASTA is a “percutaneous surgical” procedure using pledgeted sutures to create a double‐orifice tricuspid valve.MethodsAn 83‐year‐old man had end‐stage TR caused by a defibrillator lead. He consented to undergo PASTA on a compassionate basis. A double‐orifice valve was created with pledgeted sutures from percutaneous right ventricular apical access.ResultsTR was reduced from torrential to trace. The vena contracta reduced to from 23 to 1 mm and annular area reduced from 1817 to 782 mm2. However, the annulus dehisced and required closure with a percutaneous nitinol plug. The patient was discharged home and was alive 6 months later but with persistent symptoms.ConclusionsThe anatomy of a double‐orifice valve can eliminate TR but a better solution is required to avoid excessive suture tension on annular tissue.
On the Limited Stability of BDPA Radicals
Authors: Mandal Sucharita , Sigurdsson Snorri Th. 
Published: May 2020

Abstract1,3‐Bis(diphenylene)‐2‐phenylallyl (BDPA)‐based radicals are of interest as polarizing agents for dynamic nuclear polarization (DNP). For this purpose, a BDPA‐nitroxide biradical, employing a phosphodiester linkage, was synthesized. Contrary to what is commonly assumed, BDPA‐derived radicals were observed to have limited stability. Hence, the effects of various factors on the stability of BDPA radicals were investigated. Solvent polarity was found to play a significant role on degradation; a polar BDPA radical was observed to degrade faster in a non‐polar solvent, whereas non‐polar radicals were more unstable in polar solvents. The rate of decomposition was found to increase non‐linearly with increasing radical concentration; a 2‐fold increase in concentration led to a 3‐fold increase in the rate of degradation. Collectively, these results indicate that the dimerization is a significant degradation pathway for BDPA radicals and indeed, a dimer of one BDPA radical was detected by mass spectrometry.
Stereoselective Steady‐State Disposition and Bioequivalence of Brand and Generic Bupropion in Adults
Authors: Kharasch Evan D. , Neiner Alicia , Kraus Kristin , Blood Jane , Stevens Angela , Miller J. Philip , Lenze Eric J. 
Published: May 2020

The antidepressant bupropion is stereoselectively metabolized and metabolite enantiomers have differential pharmacologic effects, but steady‐state enantiomeric disposition is unknown. Controversy persists about bupropion XL 300 mg generic equivalence to brand product, and whether generics might have different stereoselective disposition leading to enantiomeric non‐bioequivalence and, thus, clinical nonequivalence. This preplanned follow‐on analysis of a prospective, randomized, double‐blinded, crossover study of brand and 3 generic bupropion XL 300 mg products measured steady‐state enantiomeric plasma and urine parent bupropion and primary and secondary metabolite concentrations and evaluated bioequivalence and pharmacokinetics. Steady‐state plasma and urine bupropion disposition was markedly stereoselective, with up to 40‐fold differences in plasma concentrations of the active metabolite S,S‐hydroxybupropion vs. R,R,‐hydroxybupropion. Urine metabolite glucuronides were prominent, but glucuronidation was metabolite‐specific and enantioselective. There were no differences between any generic and brand, or between generics, in plasma enantiomer concentrations of bupropion or the major metabolites. All generic products satisfied formal bioequivalence criteria (peak plasma concentration (Cmax) and area under the plasma concentration‐time curve over 24 hours (AUC0–24)) using enantiomers for bupropion as well as for metabolites, and generics were comparable to each other, and were considered bioequivalent, based on enantiomeric analysis. Enantiomeric bioequivalence explains the previously observed therapeutic equivalence of bupropion generics and brand in treating major depression. These results have important implications for understanding the clinical therapeutic effects of bupropion based on complex and stereoselective metabolism.
Photocatalytic Partial Oxidation of 5‐Hydroxymethylfurfural (HMF) to 2,5‐Diformylfuran (DFF) Over a Covalent Triazine Framework in Water
Authors: Ayed Cyrine , Huang Wei , Kizilsavas Gönül , Landfester Katharina , Zhang Kai A. I. 
Published: May 2020

AbstractConversion of biomass into high value products via environmentally benign processes remains a challenging task for chemists. Photocatalytic partial oxidation of the biochemical 5‐hydroxymethylfurfural (HMF) to 2,5‐diformylfuran (DFF) has attracted much attention as DFF is known to be a pivotal precursor in the biochemical industry. Previously, this reaction has been catalyzed with transition metal based catalytic systems in organic solvents. Herein, we report the use of a covalent triazine framework (CTF) as a highly stable and porous organic photoactive polymer for the photocatalytic partial oxidation of HMF to DFF in water, using molecular oxygen as a green oxidant. The photocatalyst showed high efficiency in affording DFF as the target product with good reusability.
Lignin from Tree Barks: Chemical Structure and Valorization
Authors: Neiva Duarte M. , Rencoret Jorge , Marques Gisela , Gutiérrez Ana , Gominho Jorge , Pereira Helena , del Río José C. 
Published: May 2020

AbstractLignins from different tree barks, including Norway spruce (Picea abies), eucalyptus (Eucalyptus globulus), mimosa (Acacia dealbata) and blackwood acacia (A. melanoxylon), are thoroughly characterized. The lignin from E. globulus bark is found to be enriched in syringyl (S) units, with lower amounts of guaiacyl (G) and p‐hydroxyphenyl (H) units (H/G/S ratio of 1:26:73), which produces a lignin that is highly enriched in β‐ether linkages (83 %), whereas those from the two Acacia barks have similar compositions (H/G/S ratio of ≈5:50:45), with a predominance of β‐ethers (73–75 %) and lower amounts of condensed carbon–carbon linkages; the lignin from A. dealbata bark also includes some resorcinol‐related compounds, that appear to be incorporated or intimately associated to the polymer. The lignin from P. abies bark is enriched in G units, with lower amounts of H units (H/G ratio of 14:86); this lignin is thus depleted in β‐O‐4′ alkyl–aryl ether linkages (44 %) and enriched in condensed linkages. Interestingly, this lignin contains large amounts of hydroxystilbene glucosides that seem to be integrally incorporated into the lignin structure. This study indicates that lignins from tree barks can be seen as an interesting source of valuable phenolic compounds. Moreover, this study is useful for tailoring conversion technologies for bark deconstruction and valorization.
Structural and biological survey of 7‐chloro‐4‐(piperazin‐1‐yl)quinoline and its derivatives
Authors: El‐Azzouny Aida M. Abd El‐Sattar , Aboul‐Enein Mohamed Nabil , Hamissa Mohamed Farouk 
Published: May 2020

AbstractThe 7‐chloro‐4‐(piperazin‐1‐yl)quinoline structure is an important scaffold in medicinal chemistry. It exhibited either alone or as hybrid with other active pharmacophores diverse pharmacological profiles such as: antimalarial, antiparasitic, anti‐HIV, antidiabetic, anticancer, sirtuin Inhibitors, dopamine‐3 ligands, acetylcholinesterase inhibitors, and serotonin antagonists. In the presented review, a comprehensive discussion of compounds having this structural core is surveyed and illustrated.
Antinociceptive effects of ceftriaxone in formalin‐induced nociception
Authors: Baeza‐Flores Guadalupe del Carmen , Rodríguez‐Palma Erick J. , Reyes‐Pérez Valeria , Guzmán‐Priego Crystell G. , Torres‐López Jorge E. 
Published: May 2020

AbstractCeftriaxone (CFX) is a β‐lactam antibiotic with analgesic properties. However, its role in the formalin‐induced nociception remains unknown. The purpose of this study was to investigate the antinociceptive effect of CFX in the 1% formalin test in rats. Formalin induced a typical nociceptive response (flinching behavior) of two phases. Local peripheral pretreatment (20 min) with CFX (400–800 μg/paw) slightly attenuated the flinching behavior in phase 2, but not phase 1. Acute intraperitoneal pretreatment (20 min) also reduced phase 2 of the formalin test. In both cases, CFX induced a dose‐dependent antinociception. We also tested the effect of CFX 1 day after its administration and in two schedules of repeated administration. One‐day pretreatment with CFX (50–400 mg/kg, ip) induced a dose‐dependent antinociceptive effect in formalin‐treated rats. Repeated administration (daily during 3 or 7 days) with CFX (50–400 mg/kg, ip) diminished formalin‐induced nociception. Results suggest that local or systemic as well as single or repeated administration of CFX reduces formalin‐induced nociception.
Urinary detection of rapid‐acting insulin analogs in healthy humans
Authors: Judák Péter , Coppieters Gilles , Lapauw Bruno , Van Eenoo Peter , Deventer Koen 
Published: May 2020

AbstractHuman insulin and its synthetic analogs are considered as life‐saving drugs for people suffering from diabetes mellitus. Next to the therapeutic use, scientific and non‐scientific literature (e.g. bodybuilding forums; antidoping intelligence and investigation reports) indicate that these prohibited substances are used as performance enhancing agents. In the present report, the development and validation of a sensitive analytical strategy is described for the urinary detection of three rapid‐acting insulin analogs (Lispro, Aspart, Glulisine). The method is based on sample purification by the combination of ultrafiltration and immunoaffinity purification and subsequent analysis by nano‐flow liquid chromatography coupled to high resolution mass spectrometry. Next to the results on different validation parameters (LOD: 10 pg/mL; recovery: 25–48%; matrix effect: −3‐(−8) %), data on urinary elimination times, which were obtained in the frame of an administration study with the participation of healthy volunteers, are presented. The determined detection windows (~9 hours) are expected to help to evaluate current routine analytical methods and aim to aid doping authorities to set appropriate target windows for efficient testing.
Association of pulmonary hypertension and right ventricular function with exercise capacity in heart failure
Authors: Teramoto Kanako , Sengelov Morten , West Erin , Santos Mario , Nadruz Wilson , Skali Hicham , Shah Amil M. 
Published: May 2020

AbstractAimRelationships of pulmonary artery systolic pressure (PASP) and right ventricular (RV) dysfunction with exercise capacity are understudied. To assess the relationship of PASP and RV function with functional capacity and ventilatory efficiency in heart failure (HF) with a wide range of left ventricular ejection fraction (LVEF).Methods and resultsFive hundred thirty‐two consecutive HF patients referred for cardiopulmonary exercise testing [percent predicted peak VO2 (ppVO2), VE/VCO2 slope] and echocardiography [LVEF, PASP, and RV fractional area change (RVFAC)] were studied. Associations of PASP and RVFAC with ppVO2 and VE/VCO2 slope were assessed by multivariable linear regression and restricted cubic splines. Associations with composite of death, heart transplant, and LV assist device (median 3.9 year follow‐up) was assessed using multivariable Cox proportional hazard models.Mean age was 56 ± 14 years and mean LVEF was 35 ± 15%. Mean PASP was 34 ± 12 mmHg, RVFAC was 41 ± 13%, ppVO2 was 60 ± 21%, and VE/VCO2 slope was 35 ± 12. After adjusting for demographics, co‐morbidities, LVEF, mitral regurgitation severity, and left atrial volume index, higher PASP was associated with worse ppVO2 (P = 0.004) and was more robust in patients with LVEF ≥45% vs. <45% (Pinteraction = 0.006). Lower RVFAC was associated with both worse ppVO2 (P = 0.002) and higher VE/VCO2 slope (P = 0.002). Higher PASP and lower RVFAC were both associated with heightened risk of composite endpoint (HR 1.07 per 5 mmHg increase, P = 0.03; HR 1.17 per 5% decrease, P <0.001, respectively).ConclusionsIn HF across wide range of LVEF, greater PASP and worse RV function predict worse functional capacity and greater respiratory inefficiency, independent of LV structure and function.
Insomnia is a risk factor for spreading of chronic pain: A Swedish longitudinal population study (SwePain)
Authors: Wiklund Tobias , Gerdle Björn , Linton Steven J. , Dragioti Elena , Larsson Britt 
Published: May 2020

AbstractBackgroundRecent evidence suggests that insomnia negatively influences the occurrence of generalized pain. This study examined whether insomnia is a risk factor for the transition from local pain (LP) to generalized pain (i.e. spreading of pain).MethodsThis longitudinal study, with a follow‐up of 24 months, included 959 participants (mean age: 55.8 years; SD: 13.9) with local or regional pain at baseline. Participants were grouped by insomnia symptoms as measured by the Insomnia Severity Index. Spreading of pain was measured by body manikins based on the spatial distribution of pain on the body. We defined two outcome categories; one with relatively localized pain (i.e. LP and moderate regional pain [MRP]), and one with relatively generalized pain (i.e. substantial regional pain and widespread pain [WSP]). Baseline age, sex, education, depressive symptoms, anxiety symptoms, catastrophizing, pain intensity and spread of pain were also included in the Generalized Linear Model analysis.ResultsThe unadjusted model showed that the risk of spreading of pain increased with an increase in insomnia symptoms (no insomnia: 55.4%; subthreshold insomnia: 25.4% moderate insomnia: 16.5% and severe insomnia: 2.7%). The risk increased in a dose‐dependent manner; moderate insomnia risk ratio (RR) 2.34 (95% confidence interval [CI]: 1.34–4.09) and severe insomnia RR 4.13 (95% CI: 1.56–10.92). The results were maintained in the fully adjusted model although MRP was the strongest predictor RR 6.95 (95% CI: 3.11–15.54).ConclusionOur findings show a strong prospective relationship between insomnia symptoms and the transition from relatively localized to generalized pain.SignificanceThis study shows that people with LP conditions are at much higher risk of developing WSP if they also have significant insomnia symptoms. The elevated risk is evident after 24 months and increases in a dose‐dependent manner regarding the degree of exposure to insomnia symptoms. Local pain conditions are quite common in primary care, and an evaluation of the insomnia symptoms is highly recommended since the most common sleep problems can be treated effectively if detected.
Grayscale surface patterning using electrophoretic motion through a heterogeneous hydrogel material
Authors: Ge Ning , Xu Ren , Trinkle Christine A. 
Published: May 2020

AbstractChemical surface patterning can be an incredibly powerful tool in a variety of applications, as it enables precise spatial control over surface properties. But the equipment required to create functional surface patterns—especially “grayscale” patterns where independent control over species placement and density are needed—is often expensive and inaccessible. In this work, we leveraged equipment and methods readily available to many research labs, namely 3D printing and electroblotting, to generate controlled grayscale surface patterns. Three‐dimensional‐printed molds were used to cast polyacrylamide hydrogels with regions of variable polymer density; regions of low polymer density within the hydrogels served as reservoirs for proteins that were later driven onto a target surface using electrophoresis. This mechanism was used to deposit grayscale patterns of fluorescently labeled proteins, and the fluorescent intensity of these patterns was measured and compared to a theoretical analysis of the deposition mechanism.
Investigating the effect of the air inlet temperature on the combustion characteristics of a spark ignition engine fueled by biogas
Authors: Ebrahemi Abdullah Ebrahem , Bassiony Mohamed Abdallah , Syam Thaer Mahmoud Ibrahim , Ahmed Samer 
Published: May 2020

AbstractThis work has conducted a numerical study using AVL‐Boost engine simulation utilizing biogas (CH4 and CO2)–air mixtures in a SI engine model. The effect of varying the air manifold temperature from 25 to 50°C on the combustion characteristics as well as engine performance under full load condition in a SI engine fueled by gasoline and biogas mixtures has been investigated. The performed tests involved using variable concentrations of CO2 from 10% to 40% by volume. The current model has been validated with experimental results and it was found that the error in predicting the P‐θ behavior of the engine is about 4.89%. The results showed that, as the air inlet temperature increases, the volumetric efficiency decreases and the brake specific fuel consumption (BSFC) increases for gasoline and all biogas compositions. However, the peak pressure, brake output power, maximum pressure rise rate, and maximum heat release rate were decreased slightly with the increase in air inlet temperature. The effect was only observed for gasoline and the 10%‐CO2 biogas, whereas the effect on the maximum heat release rate was detected on gasoline and biogas compositions up to 20%‐CO2 only. On the other hand, the existence and growth of CO2 content in the biogas reduced significantly the peak pressure, brake output power, maximum pressure rise rate, volumetric efficiency, and both net and maximum heat release rates, though its effect in reducing the volumetric efficiency stopped at 20%‐CO2 biogas. Furthermore, BSFC rises noticeably with the increase in CO2 ratio in biogas. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd.
Amygdala subnuclei volume in bipolar spectrum disorders: Insights from diffusion‐based subsegmentation and a high‐risk design
Authors: Damme Katherine S. F. , Alloy Lauren B. , Young Christina B. , Kelley Nicholas J. , Chein Jason , Ng Tommy H. , Titone Madison K. , Black Chelsea L. , Nusslock Robin 
Published: May 2020

AbstractAmygdala abnormalities are widely documented in bipolar spectrum disorders (BSD). Amygdala volume typically is measured after BSD onset; thus, it is not known whether amygdala abnormalities predict BSD risk or relate to the disorder. Additionally, past literature often treated the amygdala as a homogeneous structure, and did not consider its distinct subnuclei and their differential connectivity to other brain regions. To address these issues, we used a behavioral high‐risk design and diffusion‐based subsegmentation to examine amygdala subnuclei among medication‐free individuals with, and at risk for, BSD. The behavioral high‐risk design (N = 114) included low‐risk (N = 37), high‐risk (N = 47), and BSD groups (N = 30). Diffusion‐based subsegmentation of the amygdala was conducted to determine whether amygdala volume differences related to particular subnuclei. Individuals with a BSD diagnosis showed greater whole, bilateral amygdala volume compared to Low‐Risk individuals. Examination of subnuclei revealed that the BSD group had larger volumes compared to the High‐Risk group in both the left medial and central subnuclei, and showed larger volume in the right lateral subnucleus compared to the Low‐Risk group. Within the BSD group, specific amygdala subnuclei volumes related to time since first episode onset and number of lifetime episodes. Taken together, whole amygdala volume analyses replicated past findings of enlargement in BSD, but did not detect abnormalities in the high‐risk group. Examination of subnuclei volumes detected differences in volume between the high‐risk and BSD groups that were missed in the whole amygdala volume. Results have implications for understanding amygdala abnormalities among individuals with, and at risk for, a BSD.
Role delineation for pharmacotherapy specialists: Re‐evaluating the clinical relevance of a patient‐centered credential
Authors: Muckle Timothy , Blair Melissa , Badowski Melissa E. , Yam Felix , Johnson Samuel G. 
Published: May 2020

AbstractThis article presents results of the 2019 Role Delineation Study (RDS) for pharmacotherapy specialty certification, conducted by the Board of Pharmacy Specialties (BPS). This RDS used both qualitative (ie, focus group) and quantitative (ie, survey) methodologies to shape and empirically validate the knowledge, skills, and abilities characterized by the practice performance domain of the pharmacotherapy certification content outline. Over 1100 survey responses were collected from board‐certified pharmacotherapy specialists and then analyzed and reviewed by a representative panel of subject matter experts in pharmacotherapy and psychometric analyses. Using statistical summaries of rating scale data, the panelists recommended revisions to the certification content outline and examination blueprint. Descriptions of how the survey results were used to develop test specifications are also provided. This analysis provides validity evidence for the content scope for pharmacotherapy specialist certification and for the specifications (ie, domain weight percentages) of the high‐stakes examination. In particular, the study reaffirmed the pharmacotherapy specialist certification as a clinically relevant, patient‐focused credential, consistent with the mission of the BPS.