bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of Leptolyngbya sp. Biofilm and Vallisneria natans Growth on Nutrient Release from Sediment
Authors: Wang Tao , Xie Chunlin , Shu Rou , Yan Chunlan , Pei Guofeng 
Published: June 2021

AbstractNutrients supplied by sediment of lakes and light are likely important factors determining the growth balance between Leptolyngbya sp. biofilm and Vallisneria natans. Therefore, experiments with varying light are conducted to compare the effect of nutrient release from surface sediment on their growth. The results show that changes in pH, dissolved oxygen (DO) and redox potential (Eh) are significantly correlated with the changes in nitrogen(N) and phosphorus (P) concentrations in the water (p < 0.05). The optimum light intensity for the growth of Leptolyngbya sp. and V. natans is different. The biomass of Leptolyngbya sp. biofilm is higher at 2–27 µmol m−2·s−1, but the biomass of V. natans is positively correlated with light intensity (2–54 µmol m−2·s−1) (p < 0.05). The Leptolyngbya sp. biofilm and V. natans can retain P from sediment and significantly remove N in the overlying water. The total P amounts retained by V. natans are significantly higher than that of Leptolyngbya sp. biofilm in all treatments, and the potential for P retention of V. natans increases with the increase of light intensity. The retention of P amounts in the Leptolyngbya sp. biofilm mainly formed 47.8% Fe‐bound P, but 57% NH4CI‐bound P in the V. natans.
Structural Development of Salicylanilide‐Based SPAK Inhibitors as Candidate Antihypertensive Agents
Authors: Fujii Shinya , Kikuchi Eriko , Suzuyama Honoka , Watanabe Yuko , Ishigami‐Yuasa Mari , Masuno Hiroyuki , Mori Takayasu , Isobe Kiyoshi , Uchida Shinichi , Kagechika Hiroyuki 
Published: June 2021

AbstractHypertension is an important target for drug discovery. We have focused on the with‐no‐lysine kinase (WNK)‐oxidative stress‐responsive 1 (OSR1) and STE20/SPS1‐related proline‐alanine‐rich protein kinase (SPAK)‐NaCl cotransporter (NCC) signal cascade as a potential target, and we previously developed a screening system for inhibitors of WNK‐OSR1/SPAK‐NCC signaling. Herein we used this system to examine the structure‐activity relationship (SAR) of salicylanilide derivatives as SPAK kinase inhibitors. Structural design and development based on our previous hit compound, aryloxybenzanilide derivative 2, and the veterinary anthelmintic closantel (3) led to the discovery of compound 10 a as a potent SPAK inhibitor with reduced toxicity. Compound 10 a decreased the phosphorylation level of NCC in mouse kidney in vivo, and appears to be a promising lead compound for a new class of antihypertensive drugs.
Effect of Upadacitinib on the Pharmacokinetics of Rosuvastatin or Atorvastatin in Healthy Subjects
Authors: Mohamed Mohamed‐Eslam F. , Coppola Sheryl , Feng Tian , Camp Heidi S. , Kim Elaine , Othman Ahmed A. 
Published: June 2021

AbstractThis phase 1, 2‐part, 2‐period, open‐label, drug‐drug interaction study evaluated the potential for pharmacokinetic interactions between upadacitinib and rosuvastatin, an organic anion transporting polypeptide (OATP) 1B1 and breast cancer resistance protein substrate, or atorvastatin, a cytochrome P450 3A, OATP1B1, and OATP1B3 substrate, in 36 healthy volunteers. During period 1, a single dose of rosuvastatin (5 mg; part 1) or atorvastatin (10 mg; part 2) was administered on day 1, followed by a washout period of 5 days. During period 2, once‐daily doses of upadacitinib extended‐release (30 mg) were administered on days 1 to 10, and a single dose of rosuvastatin (5 mg; part 1) or atorvastatin (10 mg; part 2) was administered 1 hour after the upadacitinib dose on day 7. Serial blood samples were collected for assays of drug concentrations. In Part 1, rosuvastatin maximum observed plasma concentration (Cmax) and area under the plasma concentration–time curve from time 0 to infinity (AUCinf) were 23% and 33% lower, respectively, when administered with upadacitinib relative to when administered alone. In part 2, atorvastatin Cmax and AUCinf was 11% and 23% lower, respectively, when administered with upadacitinib relative to when administered alone. The Cmax and AUCinf of the active metabolite ortho‐hydroxyatorvastatin remained unchanged. Administration of a single 5‐mg dose of rosuvastatin or a single 10‐mg dose of atorvastatin had no relevant effect on upadacitinib Cmax or area under the plasma concentration–time curve. These results demonstrated that upadacitinib has no clinically relevant effect on the pharmacokinetics of rosuvastatin and atorvastatin or on substrates transported by OATP1B or breast cancer resistance protein.
Machine learning approaches to predicting amyloid status using data from an online research and recruitment registry: The Brain Health Registry
Authors: Albright Jack , Ashford Miriam T. , Jin Chengshi , Neuhaus John , Rabinovici Gil D. , Truran Diana , Maruff Paul , Mackin R. Scott , Nosheny Rachel L. , Weiner Michael W. 
Published: June 2021

AbstractIntroductionThis study investigated the extent to which subjective and objective data from an online registry can be analyzed using machine learning methodologies to predict the current brain amyloid beta (Aβ) status of registry participants.MethodsWe developed and optimized machine learning models using data from up to 664 registry participants. Models were assessed on their ability to predict Aβ positivity using the results of positron emission tomography as ground truth.ResultsStudy partner–assessed Everyday Cognition score was preferentially selected for inclusion in the models by a feature selection algorithm during optimization.DiscussionOur results suggest that inclusion of study partner assessments would increase the ability of machine learning models to predict Aβ positivity.
Readmission following both cardiac and non‐cardiac acute dyspnoea is associated with a striking risk of death
Authors: Čerlinskaitė Kamilė , Mebazaa Alexandre , Cinotti Raphaël , Matthay Michael , Wussler Desiree N. , Gayat Etienne , Juknevičius Vytautas , Kozhuharov Nikola , Dinort Julia , Michou Eleni , Gualandro Danielle M. , Palevičiūtė Eglė , Alitoit‐Marrote Irina , Kablučko Denis , Bagdonaitė Loreta , Balčiūnas Mindaugas , Vaičiulienė Dovilė , Jonauskienė Ieva , Motiejūnaitė Justina , Stašaitis Kęstutis , Kukulskis Audrys , Damalakas Šarūnas , Laucevičius Aleksandras , Mueller Christian , Kavoliūnienė Aušra , Čelutkienė Jelena ,   GREAT network
Published: June 2021

AbstractAimsReadmission and mortality are the most common and often combined endpoints in acute heart failure (AHF) trials, but an association between these two outcomes is poorly investigated. The aim of this study was to determine whether unplanned readmission is associated with a greater subsequent risk of death in patients with acute dyspnoea due to cardiac and non‐cardiac causes.Methods and resultsDerivation cohort (1371 patients from the LEDA study) and validation cohort (1986 patients from the BASEL V study) included acute dyspnoea patients admitted to the emergency department. Cox regression analysis was used to determine the association of 6 month readmission and the risk of 1 year all‐cause mortality in AHF and non‐AHF patients and those readmitted due to cardiovascular and non‐cardiovascular causes. In the derivation cohort, 666 (49%) of patients were readmitted at 6 months and 282 (21%) died within 1 year. Six month readmission was associated with an increased 1 year mortality risk in both the derivation cohort [adjusted hazard ratio (aHR) 3.0 (95% confidence interval, CI 2.2–4.0), P < 0.001] and the validation cohort (aHR 1.8, 95% CI 1.4–2.2, P < 0.001). The significant association was similarly observed in AHF (aHR 3.2, 95% CI 2.1–4.9, P < 0.001) and other causes of acute dyspnoea (aHR 2.9, 95% CI 1.9–4.5, P < 0.001), and it did not depend on the aetiology [aHR 2.2, 95% CI 1.6–3.1 for cardiovascular readmissions; aHR 4.1, 95% CI 2.9–5.7 for non‐cardiovascular readmissions (P < 0.001 for both)] or timing of readmission.Conclusion​sOur study demonstrated a long‐lasting detrimental association between readmission and death in AHF and non‐AHF patients with acute dyspnoea. These patients should be considered ‘vulnerable patients’ that require personalized follow‐up for an extended period.
Circulating growth differentiation factor‐15 as a novel biomarker in heart transplant
Authors: Tokavanich Nithi , Sinphurmsukskul Supanee , Kongruttanachok Narisorn , Thammanatsakul Kanokwan , Sritangsirikul Supaporn , Ariyachaipanich Aekarach , Ongcharit Pat , Siwamogsatham Sarawut , Boonyaratavej Smonporn , Puwanant Sarinya 
Published: June 2021

AbstractAimsThis study aimed to examine (i) whether circulating growth differentiation factor‐15 (GDF‐15) is associated with acute cellular cardiac allograft rejection (ACR); (ii) a longitudinal trend of GDF‐15 after heart transplantation; and (iii) the prognostic value of GDF‐15 in predicting a composite outcome of severe primary graft dysfunction (PGD) and 30 day mortality post‐transplant.Methods and resultsSerum samples were collected before heart transplantation and at every endomyocardial biopsy (EMB) post‐heart transplantation in de novo transplant patients. A total of 60 post‐transplant serum samples were matched to the corresponding EMBs. Seven (12%) were considered International Society for Heart Lung Transplantation Grade 1R ACR, and one (2%) was identified as Grade 2R ACR. GDF‐15 levels in patients with ACR were not different from those in the non‐rejection group (6230 vs. 6125 pg/mL, P = 0.27). GDF‐15 concentration gradually decreased from 8757 pg/mL pre‐transplant to 5203 pg/mL at 4 weeks post‐transplant. The composite adverse outcome of PGD and 30 day mortality was significantly associated with increased post‐operative GDF‐15 (odds ratio: 40; 95% confidence interval: 2.01–794.27; P = 0.005) and high inotrope score post‐transplant (odds ratio: 18; 95% confidence interval: 1.22–250.35; P = 0.01).ConclusionsCirculating GDF‐15 concentration was markedly elevated in patients with end‐stage heart failure and decreased after heart transplantation. GDF‐15 was significantly associated with post‐transplant PGD and mortality. A lack of association between ACR and GDF‐15 did not support routine use of GDF‐15 as a biomarker to detect ACR. However, GDF‐15 may be potentially useful to determine heart transplant recipients at high risk for adverse post‐transplant outcomes. We suggest that GDF‐15 levels in recipient serum can provide risk stratification for severe PGD including death during post‐operative period. This novel biomarker may serve to inform and guide timely interventions against severe PGD and adverse outcomes during the first 4 weeks after transplantation. Further studies to support the utility of GDF‐15 in heart transplantation are required.
Variation on the π‐Acceptor Ligand within a RhI−N‐Heterocyclic Carbene Framework: Divergent Catalytic Outcomes for Phenylacetylene‐Methanol Transformations
Authors: Galiana‐Cameo María , Passarelli Vincenzo , Pérez‐Torrente Jesús J. , Di Giuseppe Andrea , Castarlenas Ricardo 
Published: June 2021

AbstractA series of neutral and cationic rhodium complexes bearing IPr {IPr=1,3‐bis‐(2,6‐diisopropylphenyl)imidazolin‐2‐carbene} and π‐acceptor ligands are reported. Cationic species [Rh(η4‐cod)(IPr)(NCCH3)]+ and [Rh(CO)(IPr)(L)2]+ (L=pyridine, CH3CN) were obtained by chlorido abstraction in suitable complexes, whereas the cod‐CO derivative [Rh(η4‐cod)(IPr)(CO)]+ was formed by the carbonylation of [Rh(η4‐cod)(IPr)(NCCH3)]+. Alternatively, neutral derivatives of type RhCl(IPr)(L)2 {L=tBuNC or P(OMe)3} can be accessed from [Rh(μ‐Cl)(η2‐coe)(IPr)]2. In addition, the mononuclear species Rh(CN)(η4‐cod)(IPr) was prepared by cyanide‐chlorido anion exchange, which after carbonylation afforded the unusual trinuclear compound [Rh{1κC,2κN‐(CN)}(CO)(IPr)]3. Divergent catalytic outcomes in the phenylacetylene‐methanol transformations have been observed. Thus, enol ethers, arisen from hydroalkoxylation of the alkyne, were obtained with neutral Rh−CO catalyst precursors whereas dienol ethers were formed with cationic catalysts. Variable amounts of alkyne dimerization, cyclotrimerization or polymerization products were obtained in the absence of a strong π‐acceptor ligand on the catalyst.
Enantioseparation of solriamfetol and its major impurity phenylalaninol by capillary electrophoresis using sulfated gamma cyclodextrin
Authors: Fejős Ida , Tóth Gergő , Várnai Bianka , Szabó Zoltán István , Köteles István , Malanga Milo , Béni Szabolcs 
Published: June 2021

AbstractR‐solriamfetol is a recently approved drug used for the treatment of excessive sleepiness associated with narcolepsy and sleep apnea. Herein, a capillary electrophoretic method was developed, enabling the simultaneous analysis of the API and its S‐enantiomer in addition to the enantiomers of its major impurity phenylalaninol. Twenty‐nine different cyclodextrins (CDs), including native, neutral, and charged ones were screened as potential chiral selectors, and the best results were obtained with sulfated CDs. Randomly sulfated‐β‐CD exhibited outstanding enantioresolution, the peaks of phenylalaninol enantiomers inserted between the two peaks of solriamfetol enantiomers, while sulfated‐γ‐CD (S‐γ‐CD) showed remarkable resolution values in a much shorter analysis time with the optimal enantiomer migration order. Among the single isomer sulfated CD derivatives, substituent dependent enantiomer migration order reversal could also be observed in the case of heptakis(6‐O‐sulfo)‐β‐CD (HS‐β‐CD) or heptakis(2,3‐O‐dimethyl‐6‐O‐sulfo)‐β‐CD (HDMS‐β‐CD) with R‐,S‐solriamfetol, and heptakis(2,3‐O‐diacetyl‐6‐O‐sulfo)‐β‐CD (HDAS‐β‐CD) resulting S‐,R‐solriamfetol migration order. The sulfated‐γ‐CD system was chosen for method optimization applying orthogonal experimental design. The optimized method (45 mM Tris‐acetate buffer, pH 4.5, 4 mM S‐γ‐CD, 21°C, +19.5 kV) was capable for the baseline separation of solriamfetol and phenylalaninol enantiomers within 7 min. The optimized method was validated according to the ICH guidelines and successfully applied for the analysis of pharmaceutical preparation (Sunosi® 75 mg tablet), thus it may serve as a routine procedure for the laboratories of regulatory authorities as well as in Pharmacopoeias.
Seismic response study of ordinary and isolated bridges crossing strike‐slip fault rupture zones
Authors: Yang Shuo , Mavroeidis George P. , Tsopelas Panos 
Published: June 2021

AbstractThis article presents a comprehensive parametric study of ordinary and seismically isolated bridges crossing strike‐slip faults by performing nonlinear response history analysis using actual near‐fault ground‐motion records and by varying the fault crossing angle, fault crossing location, pier height, span length, seismic excitation polarity, and number of ground‐motion components. The considered ground motions include three records from major earthquakes with their peak ground displacements and pulse periods being considerably larger in the fault‐parallel component than in the fault‐normal component and one record from a strong earthquake with comparable peak ground displacements and pulse periods in both components. The analysis results indicate that fault crossing angle and fault crossing location significantly affect the displacement demands, the distributions of peak displacement responses at piers and abutments, and the deformed shapes of both ordinary and seismically isolated bridges. The most advantageous scenario is generally obtained at a fault crossing angle of 90° and a fault crossing location at the middle span of the bridge. In addition, the variation trends of isolation displacement demands and pier drift demands of seismically isolated bridges with fault crossing angle and fault crossing location appear to depend primarily on earthquake magnitude. Based on the limited number of considered records, it is also observed that utilizing only the fault‐parallel ground‐motion component is generally sufficient for the seismic analysis of bridges crossing strike‐slip faults, with the exception of seismically isolated bridges subjected to records from smaller earthquakes. Furthermore, the effect of seismic excitation polarity on the displacement demands of ordinary and seismically isolated bridges may be significant depending on the fault crossing angle. Finally, pier height and span length are found to have an insignificant effect on the displacement demands of bridges crossing strike‐slip faults.
Risk assessment on the CCUS project using risk breakdown structure methodology: A case study on Jilin oilfield CO2‐EOR Hei‐79 block
Authors: Lv Hongying , Wang Luochun , Liu Guizhen , Lou Ziyang , Pang Lingyun , Cai Bofeng , Li Qi 
Published: June 2021

AbstractThe risk potential matrix method can be used as a reference for the optimization of the traditional risk matrix in geological CO2 storage. This study used monitoring data for environmentally sensitive receptors in the Jilin Oilfield CO2‐enhanced oil recovery (CO2‐EOR) Hei‐79 block in conjunction with a hazard event store to create an updated risk assessment of CO2 capture, use, and storage (CCUS) as a guide for risk management. The assessment built upon the overall project operation status to evaluate six and five sub‐categories of hazard and sensitivity, respectively. The environmental sensitivity threshold integrated ecosystems and secondary geological disasters to amplify potential risks. The results of the risk assessment of the CO2‐EOR Hei‐79 block in the Jilin Oilfield showed that despite an overall risk level of Ⅱ, the hazard level resulted in an unacceptable increase in overall risk. Formations are usually stimulated by fracturing in Jilin Oilfield, particularly for oil and gas production. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd.
Astrocyte‐selective STAT3 knockdown rescues methamphetamine withdrawal‐disrupted spatial memory in mice via restoring the astrocytic capacity of glutamate clearance in dCA1
Authors: Shi Pengbo , Li Zhaosu , He Teng , Li Nanqin , Xu Xing , Yu Peiyao , Lu Xue , Nie Jiaxun , Liu Dekang , Cai Qinglong , Guan Yun , Ge Feifei , Wang Jun , Guan Xiaowei 
Published: June 2021

AbstractMethamphetamine (METH) is a common abused drug. METH‐triggered glutamate (Glu) levels in dorsal CA1 (dCA1) could partially explain the etiology of METH‐caused abnormal memory, but the synaptic mechanism remains unclear. Here, we found that METH withdrawal disrupted spatial memory in mice, accompanied by the increases in Glu levels and postsynaptic neuronal activities at dCA1 synapses. METH withdrawal weakened the capacity of Glu clearance in astrocytes, as indicated by increasing the A1‐like astrocytes and phosphorylated signal transducer and activator of transcription 3 (p‐STAT3), decreasing the Glu transporter 1(GLT‐1, also known as EAAT2 or SLC1A2), Glu‐aspartate‐transporter (GLAST also known as EAAT1 or SLC1A3) and astrocytic glutamine synthase (GS), but failed to affect the presynaptic Glu release from dCA3 within dCA1. Moreover, we identified that in vitro A1‐like astrocytes exhibited an increased STAT3 activation and the impaired capacity of Glu clearance. Most importantly, selective knockdown of astrocytic STAT3 in vivo in dCA1 restored the astrocytic capacity of Glu clearance, normalized Glu levels at dCA1 synapses, and finally rescued METH withdrawal‐disrupted spatial memory in mice. Thus, astrocytic Glu clearance system, especially STAT3, serves as a novel target for future therapies against METH neurotoxicity.
Obeticholic Acid Decreases Intestinal Content of Enterococcus in Rats With Cirrhosis and Ascites
Authors: Yan Kathleen , Hung Adelina , Parmer Caitlin , Yang Hui , Jain Dhanpat , Lim Bentley , Goodman Andrew L. , Garcia‐Tsao Guadalupe 
Published: June 2021

The intestinal microbiome and bacterial translocation (BT), the passage of microorganisms from the gut lumen to mesenteric lymph nodes and other extra‐intestinal sites, are main mechanisms implicated in liver injury and further decompensation in patients with cirrhosis. We hypothesized that obeticholic acid (OCA), a semisynthetic bile acid, would change the microbiome composition and reduce bacterial translocation in experimental cirrhosis. Rats with cirrhosis induced by carbon tetrachloride inhalation (a nonseptic model) with ascites present for at least 7 days were randomized to receive a 14‐day course of OCA at a dose of 5 mg/kg/day (n = 34) or placebo (n = 34). Stool was collected at days 1 (randomization), 8, and 14 (sacrifice) for analysis of intestinal microbiome using the V4 hypervariable region of the bacterial 16S gene amplified by polymerase chain reaction. Bacteriological cultures of mesenteric lymph nodes, blood, and ascites were performed at end of study. Twenty‐four animals in each group reached the end of study. Compared with placebo, rats treated with OCA had decreased relative abundance of Enterococcus in both ileum content (P = 0.02) and in stool (P < 0.001). BT from pathogenic bacteria was not different between groups. At end of treatment, rats on OCA had a significantly lower aspartate aminotransferase (AST) (266 vs. 369 IU/L; P < 0.01) and higher serum albumin (0.9 vs. 0.7 g/dL; P < 0.01) than rats on placebo. Conclusion: Although OCA did not appear to reduce BT by pathogenic bacteria, the reduction in intestinal content of Enterococcus, which has been associated with hepatocyte death, in OCA‐treated animals is consistent with our observed improvements in AST and in liver function, as evidenced by higher serum albumin.
Investigating the midpoint of a two‐point method for predicting advance and infiltration in surface irrigation*
Authors: Panahi Amir , Seyedzadeh Amin , Maroufpoor Eisa 
Published: June 2021

AbstractThis study used the location of the average advance time (method 1) and the mean infiltration opportunity time (method 2) as the midpoint of the two‐point method for determining “power advance” and Kostiakov–Lewis infiltration parameters. Experiments were carried out in three border‐irrigated fields. The results showed that calibration of the power advance equation obtained by the Elliot and Walker method had high accuracy, with an average relative error of 11.3% in the time to complete the advance phase. The root mean square deviation (dRMS) index used by Elliot and Walker showed that method 1, with an average dRMS value of 15.7 min, has the lowest dRMS, which estimates the advance time with mean dRMS values of 5.1 and 1.8 min less than the proposed method 2 and the method of Elliot and Walker, respectively. Furthermore, using all methods, the Kostiakov–Lewis infiltration equation parameters were determined. In estimating infiltration depth, method 1 had the highest accuracy with a minimum relative error of 0%, a maximum relative error of 8.7%, and an average relative error of 3.8%. Based on both the dRMS index and the accuracy of the infiltration equation, method 1 had a higher accuracy.
SEQCROW: AChimeraXbundle to facilitate quantum chemical applications to complex molecular systems
Authors: Schaefer Anthony J. , Ingman Victoria M. , Wheeler Steven E. 
Published: June 2021

AbstractWe describe a bundle for UCSF ChimeraX called SEQCROW that provides advanced structure editing capabilities and quantum chemistry utilities designed for complex organic and organometallic compounds. SEQCROW includes graphical presets and bond editing tools that facilitate the generation of publication‐quality molecular structure figures while also allowing users to build molecular structures quickly and efficiently by mapping new ligands onto existing organometallic complexes as well as adding rings and substituents. Other capabilities include the ability to visualize vibrational modes and simulated IR spectra, to compute and visualize molecular descriptors including percent buried volume, ligand cone angles, and Sterimol parameters, to process thermochemical corrections from quantum mechanical computations, to generate input files for ORCA, Psi4, and Gaussian, and to run and manage computational jobs.