bluuebunny/crossref_metadata_2025_split huggingface dataset:
Assessment of Pharmacokinetic Interaction Between Gefapixant (MK‐7264), a P2X3 Receptor Antagonist, and the OATP1B1 Drug Transporter Substrate Pitavastatin
Authors: McCrea Jacqueline B. , Hussain Azher , Ma Bennett , Garrett Graigory C. , Evers Raymond , Laabs John E. , Stoch S. Aubrey , Iwamoto Marian 
Published: November 2021

AbstractGefapixant (MK‐7264, AF‐219), a first‐in‐class P2X3 antagonist, is being developed as oral treatment for refractory or unexplained chronic cough. Based on in vitro data, gefapixant exerts inhibitory activity on the organic anion transporter (OAT) P1B1 transporter. Therefore, a drug‐drug interaction study evaluating the potential effects of gefapixant on the OATP1B1 drug transporter, using pitavastatin as a sensitive probe substrate, was conducted. An open‐label, 2‐period, fixed‐sequence study in 20 healthy adults 18 to 55 years old was conducted. In period 1, a 1‐mg oral dose of pitavastatin was administered to each participant. After a ≥4‐day washout, in period 2 participants received a 45‐mg oral dose of gefapixant twice daily on days 1 through 4. On day 2 of period 2, pitavastatin was coadministered with the morning dose of gefapixant. Pitavastatin exposures following single‐dose administration with and without multiple doses of gefapixant were similar: geometric mean ratio (90% confidence interval) of pitavastatin area under the plasma concentration–time curve from time 0 to infinity (AUC0‐∞) (pitavastatin + gefapixant/pitavastatin alone) was 0.97 (0.93‐1.02). The ratio of pitavastatin lactone AUC0‐∞ to pitavastatin AUC0‐∞ was also comparable between treatments. Administration of gefapixant and pitavastatin was generally well tolerated, with no safety findings of concern. These results support that gefapixant has a low potential to inhibit the OATP1B1 transporter.
Dissociative Adsorption of H2S on Li(110) Surface Using Density Functional Theory Calculations and Car‐Parrinello Molecular Dynamics Simulations
Authors: Sangolkar Akanksha Ashok , Agrawal Rubi , Pawar Ravinder 
Published: November 2021

AbstractThe information concerning dissociative adsorption of H2S on Li surface is inadequate and the mechanistic insight for its complete dissociation is yet to be explored. The present investigation aims to scrutinize the dissociative adsorption of H2S on Li(110) surface using density functional theory calculations. The climbing image nudged elastic band calculation was employed to unveil the relative energy profiles for S−H dissociation. To elucidate the components of interaction energy responsible for stabilizing the adsorbed moieties on the surface, periodic energy decomposition analysis was performed. A Car‐Parrinello molecular dynamics (CPMD) simulation was performed to understand the dynamic behaviour of H2S on Li(110). Results vividly demonstrates: (i) partially dissociated product with perpendicular S−H is comparatively stable than the parallel SH, (ii) completely dissociated moieties H/H/S are the most stable among all, (iii) dissociation of first S−H is barrierless and the second S−H dissociation is a low energy barrier reaction, (iv) complete dissociation of H2S occurs in a stepwise manner, (v) orbital and electrostatic contributions of the interaction energy plays a vital role in stabilizing the dissociated moieties, and (vi) stepwise dissociation of H2S was further reinforced by CPMD.
Testing the role of body size and litter depth on invertebrate diversity across six forests in North America
Authors: Roeder Karl A. , Benson Brittany R. , Weiser Michael D. , Kaspari Michael 
Published: November 2021

AbstractEcologists search for rules by which traits dictate the abundance and distribution of species. Here we search for rules that apply across three common taxa of litter invertebrates in six North American forests from Panama to Oregon. We use image analysis to quantify the abundance and body size distributions of mites, springtails, and spiders in 21 1‐m2 plots per forest. We contrast three hypotheses: two of which focus on trait–abundance relationships and a third linking abundance to species richness. Despite three orders of magnitude variation in size, the predicted negative relationship between mean body size and abundance per area occurred in only 18% of cases, never for large bodied taxa like spiders. We likewise found only 18% of tests supported our prediction that increasing litter depth allows for high abundance; two‐thirds of which occurred at a single deciduous forest in Massachusetts. In contrast, invertebrate abundance constrained species richness 76% of the time. Our results suggest that body size and habitat volume in brown food webs are rarely good predictors of variation in abundance, but that variation in diversity is generally well predicted by abundance.
Stereoselective Synthesis of Azacycles Induced by Group 8–11 Late Transition Metals
Authors: Molnár Árpád 
Published: November 2021

AbstractThe aim of the present minireview is to summarize and discuss recent advances in the field of stereoselective synthesis of azacycles. The focus is on studies that appeared in the last two years to illustrate recent trends with a handful of examples from 2019 highlighting an important field of enantioselective chemistry. Results collected and discussed here show that syntheses catalyzed by late transition metals of group 8–11 afford products in high yield with high stereoselectivity, often under mild reaction conditions thereby demonstrating their efficacy to afford valuable products. Plausible reaction mechanisms for most transformations are also discussed.
Assessing Potential Environmental Impacts of Pesticide Usage in Paddy Ecosystems: A Case Study in the Deduru Oya River Basin, Sri Lanka
Authors: Jayasiri Maveekumbure M. J. G. C. N. , Yadav Sudhir , Propper Catherine R. , Kumar Virender , Dayawansa Nandani D. K. , Singleton Grant R. 
Published: November 2021

Abstract
Rice paddies are unique ecosystems that provide rich wetland habitat. Their enduring existence across vast stretches of land has led them to evolve into unique systems serving a diverse assemblage of organisms and sustaining a staple grain for many people. With food demand rising, agricultural intensification through agrochemical application is a common practice used to boost food production in developing countries, including Sri Lanka. The aim of the present study was to assess the concentration of pesticide residues in water in rice ecosystems and discover their potential impacts on both environmental health and the most common fauna groups across a cropping year in Sri Lanka. A total of 270 water samples from waters associated with paddy fields within a watershed were analyzed for 20 commonly used pesticides; in addition, local farm holders were surveyed to assess pesticide usage details in three selected paddy tracts. We then used the Cornell University environmental impact quotient (EIQ) calculator and the ECOTOX Knowledgebase to determine the exposure risk associated with individual pesticides relative to their application rates and aquatic concentrations. Survey results demonstrate that several pesticides were overapplied at rates 1.2–11 times the recommended application, and the EIQ demonstrated high environmental risk of two of the agrochemicals detected, 2-methyl-4-chlorophenoxyacetic and diazinon. Fish, amphibians, insects, and beetles were found to have a wide range of potential adverse outcomes from exposure to diazinon, captan, thiamethoxam, and chlorantraniliprole. To balance the trade-offs between food security and ecosystem sustainability, the present study recommends that adoption of quantifiable environmental health indicators be considered as part of the national policy regulating pesticide use. Environ Toxicol Chem 2022;41:343–355. © 2021 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Abstract
Overuse of pesticides has led to the violation of the balance between food security and ecosystem sustainability.
Snow drought reduces water transit times in headwater streams
Authors: Segura Catalina 
Published: November 2021

AbstractKnowledge of water transit times through watersheds is fundamental to understand hydrological and biogeochemical processes. However, its prediction is still elusive, particularly in mountainous terrain where physiography and precipitation change over short distances. In addition, much remains to be studied about the impact of climate change on transit time as it continues to change precipitation form in mountainous terrain. Water isotopic ratios were used to evaluate mean transit time (MTT) and young water fractions () in seven small mountainous watersheds in western Oregon over the 2014–2018 period that included a major regional snow drought in 2015. The MTT was shorter in 2015 across all watersheds compared to any other year while the was larger in 2015 than in any other year. The short transit times observed in 2015 could be related to low connectivity between surface water and older ground water which resulted in a homogenous hydrologic response across all the investigated watersheds despite their physiographical differences. The 2016–2018 MTT vary widely across all watersheds but especially within the smaller high elevation watersheds indicating that the impact of the 2015 snow drought was stronger for systems that depend heavily on snowmelt inputs. During relatively wet/cold years intrinsic watershed characteristics such as drainage area and terrain roughness explained some of the variability in transit time metrics across all watersheds. Shorter transit times during the drought have implications for water quality and solute concentrations as biogeochemical processes are controlled in part by the time water resides and interacts within the subsurface. Although the impact of the 2015 snow drought appears short‐lived these results are particularly critical considering the expected regional snowpack decline as the climate warms in the western United States.
Endoplasmic stress‐inducing variants in CPB1 and CPA1 and risk of pancreatic cancer: A case‐control study and meta‐analysis
Authors: Kawamoto Makoto , Kohi Shiro , Abe Toshiya , Dbouk Mohamad , Macgregor‐Das Anne , Koi Chiho , Song Ki‐Byung , Borges Michael , Sugimine Ryo , Laheru Daniel , Hruban Ralph H. , Roberts Nicholas , Klein Alison P. , Goggins Michael 
Published: November 2021

AbstractGene variants that encode pancreatic enzymes with impaired secretion can induce pancreatic acinar endoplasmic reticulum (ER) stress, cellular injury and pancreatitis. The role of such variants in pancreatic cancer risk has received little attention. We compared the prevalence of ER stress‐inducing variants in CPA1 and CPB1 in patients with pancreatic ductal adenocarcinoma (PDAC cases), enrolled in the National Familial Pancreas Tumor Registry, to their prevalence in noncancer controls in the Genome Aggregation Database (gnomAD). Variants of unknown significance were expressed and variants with reduced secretion assessed for ER stress induction. In vitro assessments were compared with software predictions of variant function. Protein variant software was used to assess variants found in only one gnomAD control (“n‐of‐one” variants). A meta‐analysis of prior PDAC case/control studies was also performed. Of the 1385 patients with PDAC, 0.65% were found to harbor an ER stress‐inducing variant in CPA1 or CPB1, compared to 0.17% of the 64 026 controls (odds ratio [OR]: 3.80 [1.92‐7.51], P = .0001). ER stress‐inducing variants in the CPA1 gene were identified in 4 of 1385 PDAC cases vs 77 of 64 026 gnomAD controls (OR: 2.4 [0.88‐6.58], P = .087), and variants in CPB1 were detected in 5 of 1385 cases vs 33 of 64 026 controls (OR: 7.02 [2.74‐18.01], P = .0001). Meta‐analysis demonstrated strong associations for pancreatic cancer and ER‐stress inducing variants for both CPA1 (OR: 3.65 [1.58‐8.39], P < .023) and CPB1 (OR: 9.51 [3.46‐26.15], P < .001). Rare variants in CPB1 and CPA1 that induce ER stress are associated with increased odds of developing pancreatic cancer.
Risk of Pregabalin‐Induced Hypoglycemia: Analysis of the Japanese Adverse Drug Event Report Database
Authors: Yamada Tomoyuki , Mitsuboshi Satoru , Makino Junko , Suzuki Kaoru , Nishihara Masami , Neo Masashi 
Published: November 2021

AbstractPregabalin is a first‐line treatment option for neuropathic pain. Recently, some cases of pregabalin‐induced hypoglycemia have been reported, which can complicate the treatment of neuropathic pain and worsen patient outcomes. Therefore, a better understanding of the clinical condition of patients with pregabalin‐induced hypoglycemia is desirable. In this study, we evaluated the risk of hypoglycemia in patients administered pregabalin, using the Japanese Adverse Drug Event Report database. All patients on pregabalin not taking any antidiabetic agents were screened from April 2004 to July 2020, and data on adverse events related to hypoglycemia, sex, age, weight, and the presence of chronic kidney disease were collected. Gabapentin and duloxetine, which are usually indicated for neuropathic pain, were used for comparison. Among 242 275 patients, 4287 were administered pregabalin, which included 37 patients who reported hypoglycemic incidents. Disproportionality of hypoglycemia was observed in patients administered pregabalin (reporting odds ratio, 2.25; 95%CI, 1.16‐3.13; P < .01), whereas this was not the case in patients taking gabapentin and duloxetine. Multivariate logistic regression showed that hypoglycemia in patients on pregabalin was associated with age ≥70 years (odds ratio, 2.76; 95%CI, 1.29‐5.91; P < 0.01) and weight <40 kg (odds ratio, 2.97; 95%CI, 1.32‐6.71; P < 0.01). These findings suggest that pregabalin may be associated with a higher risk of hypoglycemia, especially in elderly individuals with low body weight. Health care providers may need to be aware of pregabalin‐induced hypoglycemia in patients with these risk factors during therapy.
Enhancing water flux and antifouling properties of PES hollow fiber membranes via incorporation of surface‐functionalized Fe3O4 nanoparticles
Authors: Nawi Nadiene Salleha Mohd , Lau Woei Jye , Yusof Norhaniza , Said Noresah , Ismail Ahmad F 
Published: November 2021

AbstractBACKGROUNDIn this study, polyethersulfone (PES) hollow fiber membranes incorporated with surface‐functionalized iron oxide (Fe3O4) nanoparticles were developed in order to improve water flux and antifouling properties of PES membrane. Commercial Fe3O4 nanoparticles was coated by polydopamine (PDA), followed by functionalization using (3‐aminopropyl)triethoxysilane (APTES) and sulfonic acid to produce Fe3O4/PDA‐Amine and Fe3O4/PDA‐Sulf nanoparticles, respectively. All the nanoparticles‐modified membranes were synthesized using dope solution composed of different nanoparticles, followed by a series of instrumental characterization and filtration assessments.RESULTSIt is found that the membrane incorporated with Fe3O4/PDA‐Amine exhibited the best filtration performance, achieving water flux of 137.23 L m−2 h−1 bar−1 and bovine serum albumin (BSA) rejection of 92.16%. As a comparison, the pristine PES membrane only showed 82.60 L m−2 h−1 bar−1 and 71.92%, respectively. The membrane with Fe3O4/PDA‐Sulf also showed lower performance, recording 129.88 L m−2 h−1 bar−1 and 88.39%, respectively. The improved performance of the Fe3O4/PDA‐Amine‐modified PES membrane could be attributed to its lowest water contact angle (65.10°), highest porosity (68.14%), ideal pore size (65 nm) as well as good structural integrity. More importantly, the improved surface properties also led to outstanding fouling resistance, achieving flux recovery rate of 97%. This membrane also achieved excellent chemical oxygen demand (95.17%) and color (89.86%) reduction when tested using river water sample.CONCLUSIONOur work demonstrated a simple approach to functionalize the surface of Fe3O4 nanoparticles and showed the effectiveness of the surface‐functionalized Fe3O4 nanoparticles in improving not only the surface properties of PES membrane but also its filtration performance in terms of permeability, rejection and antifouling property. © 2021 Society of Chemical Industry (SCI).
Comparison of different methods for Li2MTi3O8 (M – Co, Cu, Zn) synthesis
Authors: Matsukevich Iryna , Kulak Anatoly , Palkhouskaya Volga , Romanovski Valentin , Jo Jae Hyeon , Aniskevich Yauhen , Mohamed Saad Gomaa 
Published: November 2021

AbstractBACKGROUNDMesoporous powders of lithium titanates Li2MTi3O8 (M – Co, Cu, Zn) of spinel structure are promising as anode materials for Li‐ion batteries.RESULTSLi2MTi3O8 (M – Co, Cu, Zn) were obtained by the sol–gel method, using self‐propagating high‐temperature synthesis (SHS) from glycine–citrate–nitrate mixtures, and also by the SHS method from aqueous solutions. The crystal structure, phase composition, microstructure and dispersion of the obtained materials were studied.CONCLUSIONIt was established that the SHS method for the synthesis of lithium titanates has several advantages compared with the sol–gel method, including not requiring solvents, reduced aggregation of particles, a higher specific surface area and low bulk density of the obtained powders. The electrode obtained on the basis of Zn‐containing Li titanate by the SHS method from glycine–citrate–nitrate mixtures showed the highest charging capacity of 160 mAh g−1 and high cyclic stability. © 2021 Society of Chemical Industry (SCI).
Long‐chain fatty acid oxidation and respiratory complex I deficiencies distinguish Barth Syndrome from idiopathic pediatric cardiomyopathy
Authors: Chatfield Kathryn C. , Sparagna Genevieve C. , Specht Kalyn S. , Whitcomb Luke A. , Omar Asma K. , Miyamoto Shelley D. , Wolfe Lisa M. , Chicco Adam J. 
Published: November 2021

AbstractBarth syndrome (BTHS) is an X‐linked disorder that results from mutations in the TAFAZZIN gene, which encodes a phospholipid transacylase responsible for generating the mature form of cardiolipin in inner mitochondrial membranes. BTHS patients develop early onset cardiomyopathy and a derangement of intermediary metabolism consistent with mitochondrial disease, but the precise alterations in cardiac metabolism that distinguish BTHS from idiopathic forms of cardiomyopathy are unknown. We performed the first metabolic analysis of myocardial tissue from BTHS cardiomyopathy patients compared to age‐ and sex‐matched patients with idiopathic dilated cardiomyopathy (DCM) and nonfailing controls. Results corroborate previous evidence for deficiencies in cardiolipin content and its linoleoyl enrichment as defining features of BTHS cardiomyopathy, and reveal a dramatic accumulation of hydrolyzed (monolyso‐) cardiolipin molecular species. Respiratory chain protein deficiencies were observed in both BTHS and DCM, but a selective depletion of complex I was seen only in BTHS after controlling for an apparent loss of mitochondrial density in cardiomyopathic hearts. Distinct shifts in the expression of long‐chain fatty acid oxidation enzymes and the tissue acyl‐CoA profile of BTHS hearts suggest a specific block in mitochondrial fatty acid oxidation upstream of the conventional matrix beta‐oxidation cycle, which may be compensated for by a greater reliance upon peroxisomal fatty acid oxidation and the catabolism of ketones, amino acids, and pyruvate to meet cardiac energy demands. These results provide a comprehensive foundation for exploring novel therapeutic strategies that target the adaptive and maladaptive metabolic features of BTHS cardiomyopathy.
Eggplant grafting on a cold‐tolerant rootstock reduces fruit chilling susceptibility and improves antioxidant stability during storage
Authors: Darré Magalí , Valerga Lucía , Zaro María José , Lemoine María Laura , Concellón Analia , Vicente Ariel Roberto 
Published: November 2021

AbstractBACKGROUNDVegetable grafting has been increasingly evaluated to improve preharvest tolerance to biotic and abiotic stresses. However, very few studies have identified rootstock–scion combinations able to improve fruit shelf life and reduce the susceptibility to postharvest disorders. Herein, a purple eggplant scion (cv. Monarca) was grafted onto a cold‐tolerant hybrid Solanum rootstock (‘Java’) and the changes in growth, quality, postharvest chilling tolerance, and antioxidant stability were evaluated.RESULTSEggplant grafting enhanced plant vigor and fruit growth rate, decreasing the time from set to harvest by 10–15%. Grafted eggplants had a thinner shape and lighter pulp color than the control. The rootstock–scion combination tested showed lower respiration (~60%), dry matter (~15–20%), and phenolic compounds contents (~15–20%) than eggplants from non‐grafted plants. Grafting markedly improved fruit performance during postharvest storage. Remarkably, grafted eggplants showed much higher tolerance to chilling injury than the control did, evidenced by a reduction of surface scalds along with decreased softening and pulp browning. The trend in antioxidants found at harvest time was reversed after cold storage due to enhanced stability (20% and 100% for pulp and peel respectively) in fruit from grafted plants.CONCLUSIONPurple eggplant (cv. Monarca) grafting onto ‘Java’ hybrid rootstock modulated fruit growth, quality at harvest, and increased fruit chilling injury tolerance during storage. Grafting may be a bona fide strategy to induce phenotypic traits able to improve vegetable postharvest performance. © 2021 Society of Chemical Industry.
Chemical, technological, and sensory evaluation of the suitability of coconut by‐products in white rolls
Authors: Wirkijowska Anna , Sobota Aldona , Zarzycki Piotr , Nawrocka Agnieszka , Blicharz‐Kania Agata , Andrejko Dariusz 
Published: November 2021

AbstractBACKGROUNDFortification of rolls, one of the most popular snacks for children and adults, with coconut by‐products can be interesting in terms of both nutritional enrichment and reduction of food waste. Coconut by‐products, such as residues from coconut milk (RCM) and coconut oil (RCO) extraction, are a valuable source of dietary fiber. In the study, coconut flours obtained from RCM and RCO were used (FCM and FCO, respectively) for supplementation of rolls; white wheat flour was replaced with FCM or FCO at levels of 6, 12, and 18 g per 100 g.RESULTSThe effect of the addition of the coconut by‐products on the nutritional value, sensory evaluation, physical properties, and texture of rolls was determined after 24 and 72 h of storage. The research showed a positive effect of FCM and FCO on the roll yield, crumb moisture, and baking loss. The sensory evaluation revealed that the 12% addition of coconut residues yielded products with high overall acceptability (8 points on a 9‐point scale). Compared with the control, a 12% addition of FCO or FCM contributed to an increase in proteins of 7.9% and 3.9% respectively and an increase in dietary fiber of 76% and 57% respectively. Despite the increase in the fat and protein contents, the energy value of the coconut rolls was significantly lower (244.6 kcal and 245.3 kcal for FCO and FCM respectively) than in the control wheat rolls (266.0 kcal).CONCLUSIONWhite rolls with coconut flours obtained after grinding residues from oil or coconut milk extraction significantly increased the nutritional value of the rolls. © 2021 Society of Chemical Industry.