bluuebunny/crossref_metadata_2025_split huggingface dataset:
A direct multiplex loop‐mediated isothermal amplification method to detect three CITES‐listed shark species
Authors: Lin Tzu‐Chun , Hsiao Wanchien Victoria , Han Shang‐Jung , Joung Shoou‐Jeng , Shiao Jen‐Chieh 
Published: April 2021

Abstract

Species identification of sharks under catch or trade regulations is important for law enforcement and species conservation. Rapid detection of Convention on the International Trade in Endangered Species (CITES)‐listed species is needed for on‐site screening.
Species‐specific primers were designed to target three mitochondrial genes (ND2, COI, and CytB) in both the simplex and multiplex loop‐mediated isothermal amplification (LAMP) assay for the pelagic thresher shark (Alopias pelagicus), the bigeye thresher shark (Alopias superciliosus), and the scalloped hammerhead shark (Sphyrna lewini), respectively. Another primer set designed to target S. lewini was used for detection‐limit testing of the LAMP assay.
The refined direct multiplex LAMP was used to detect the three CITES‐listed shark species and omitted the lengthy DNA extraction process. A homogenizer was used to release the DNA from the shark tissues, and a simplex or multiplex LAMP reaction was conducted for 30 min in an incubator at 65°C using species‐specific primer sets.
Positive LAMP reactions showed a colour change from pink to yellow, whereas negative reactions showed no colour change. Multiplex LAMP assays were performed using 84 samples, which successfully identified the target and non‐target species and provided a fast (<1 h), simple, and reliable method to distinguish three CITES‐listed shark species from the other non‐target species, for either fresh or dry fin products.
Results of this study and the method developed will play a critical role in assisting fishery agencies and customs officials in identifying the illegal catch and trade of CITES‐listed shark species.
Novel WS2/Fe0.95S1.05 Hierarchical Nanosphere as a Highly Efficient Electrocatalyst for Hydrogen Evolution Reaction
Authors: Sun Lei , Geng Jiahui , Gao Mengyou , Zheng Dehua , Jing Zhongxin , Zhao Qingyun , Lin Jianjian 
Published: April 2021

AbstractFe0.95S1.05 with high reactivity and stability was incorporated into WS2 nanosheets via a one‐step solvothermal method for the first time. The resulted hybrid catalyst has much higher catalytic activity than WS2 and Fe0.95S1.05 alone, and the optimal WS2/Fe0.95S1.05 hybrid catalyst was found by adjusting the feed ratio. The addition of Fe0.95S1.05 was proven to be able to enhance the hydrogen evolution reaction (HER) activity of WS2, and vice versa. At the same time, it was found that the catalytic effect of the hybrid catalyst was the best when the feed ratio was W : Fe=2 : 1. In other words, we confirmed that there is a synergistic effect between W‐ and Fe‐based sulfide hybrid catalysts, and validated that the reason for the improved HER performance is the strong interaction between the two in the middle sulfur. WS2/Fe0.95S1.05‐2 hybrid catalyst leads to enhanced HER activity, which shows a low overpotential of ∼0.172 V at 10 mA cm−2, low Tafel slope of ∼53.47 mV/decade. This study supplies innovative synthesis of a highly active WS2/Fe0.95S1.05 hybrid catalyst for HER.
Multigram‐scale HPLC enantioseparation as a rescue pathway for circumventing racemization problem during enantioselective synthesis of ethyl 3,4‐dihydro‐2H‐1,4‐benzoxazine‐2‐carboxylate
Authors: Pham Hong‐Ngoc , Arrault Axelle , Vanthuyne Nicolas , Acherar Samir 
Published: April 2021

AbstractRacemic ethyl 3,4‐dihydro‐2H‐1,4‐benzoxazine‐2‐carboxylate is a key synthon for the design of promising therapeutic drugs. It is mainly synthesized from racemic ethyl 2,3‐dibromopropionate and 2‐aminophenol in presence of K2CO3in refluxed acetone. Unfortunately, synthesis of (R)‐ and (S)‐enantiomers using the enantioselective version of this reaction, which should normally be performed with a double SN2 mechanism, is unsuitable due to a racemization process involving the dehydrobromination of enantiopure ethyl 2,3‐dibromopropionate into ethyl 2‐bromoacrylate. For the first time, the enantioselective version is studied (ee ≈ 55–66%), and the percentage of racemization process has estimated to around 34–46% after determination of the optimal experimental conditions for analytical HPLC enantioseparation of racemate. The influence of the experimental and purification conditions on the racemization rate is also studied. The results indicate that racemization occurs faster at the beginning of the reaction but the initiation of the double SN2 process takes place more faster to limit the racemization rate. The study of the influence of experimental conditions (reaction times, temperature, solvent or type of base, etc.) on the degree of racemization of the (R)‐ enantiomer is performed and shows that despite changes in the experimental conditions, the synthesis of the (R)‐ enantiomer is always accompanied by a racemization rate which is difficult in reducing. In parallel, (R)‐ and (S)‐enantiomers are obtained in high enantiopurity (ee > 99.5%) by preparative HPLC enantioseparation of racemate on multigram scale and characterized by optical rotation measurements, ECD and UV spectra.
Risk of cardiovascular mortality with androgen deprivation therapy in prostate cancer: A secondary analysis of the Prostate, Lung, Colorectal, and Ovarian (PLCO) Randomized Controlled Trial
Authors: Butler Santino S. , Mahal Brandon A. , Moslehi Javid J. , Nohria Anju , Dee Edward C. , Makkar Rishi , Whitbeck Amanda , Wangoe Janet , Mouw Kent W. , Nguyen Paul L. , Muralidhar Vinayak 
Published: April 2021

BACKGROUNDFor men with radiation‐managed prostate cancer, there is conflicting evidence regarding the association between androgen deprivation therapy (ADT) and cardiovascular mortality (CVM), particularly among those who have with preexisting comorbidities. The objective of this study was to analyze the association between ADT and CVM across patient comorbidity status using prospectively collected data from a large clinical trial.METHODSIn total, 1463 men were identified who were diagnosed with clinically localized, intermediate‐risk/high‐risk prostate cancer (T2b‐T4, Gleason 7‐10, or prostate‐specific antigen >10 ng/mL) from 1993 to 2001 and managed with either radiation therapy (RT) alone or RT plus ADT during the randomized Prostate, Lung, Colon, and Ovarian (PLCO) Cancer Screening Trial. Adjusted hazard ratios (aHRs) for cause‐specific mortality (prostate cancer‐specific mortality vs other‐cause mortality—including the primary end point of CVM [death from ischemic heart disease, cerebrovascular accident, or other circulatory disease]) were determined using Fine and Gray competing‐risk regression analysis and stratified by comorbidity history.RESULTSThere was no difference in the risk of 5‐year CVM between ADT plus RT and RT alone (2.3% vs 3.3%, respectively; aHR, 0.69; 95% CI, 0.38‐1.24; P = .21) overall or on subgroup analysis among men with a history of ≥1 preexisting comorbidities (3.2% vs 5.3%, respectively; aHR, 0.83; 95% CI, 0.43‐1.60; P = .58), ≥2 preexisting comorbidities (6.9% vs 8.3%, respectively; aHR, 0.95; 95% CI, 0.40‐2.25; P = .90), or cardiovascular disease/risk factors (3.6% vs 4.3%, respectively; aHR, 0.85; 95% CI, 0.44‐1.65; P = .63). These results were all similar when each component of CVM was analyzed separately—either cardiac, stroke, or other vascular mortality (P > .05).CONCLUSIONSThis study provides prospectively collected evidence that the use of ADT plus RT, compared with RT alone, is not associated with an increased risk of CVM, even among subgroups of men who have preexisting comorbidities and cardiovascular disease.
Cancer pain self‐management in the context of a national opioid epidemic: Experiences of patients with advanced cancer using opioids
Authors: Azizoddin Desiree R. , Knoerl Robert , Adam Rosalind , Kessler Daniela , Tulsky James A. , Edwards Robert R. , Enzinger Andrea C. 
Published: April 2021

BACKGROUNDThe US opioid epidemic has prompted dramatic changes in public attitudes and regulations governing opioid prescribing. Little is known about the experiences of patients with advanced cancer using opioids in the context of the epidemic.METHODSSemistructured interviews of 26 patients with advanced cancer were conducted between May 2019 and April 2020; their experiences self‐managing chronic pain with opioids were evaluated.RESULTSPatients consistently described the negative impact of the opioid epidemic on their ability to self‐manage pain. Negative media coverage and personal experiences with the epidemic promoted stigma, fear, and guilt surrounding opioid use. As a result, many patients delayed initiating opioids and often viewed their decision to take opioids as a moral failure—as “caving in.” Patients frequently managed this internal conflict through opioid‐restricting behaviors (eg, skipping or taking lower doses). Stigma also impeded patient‐clinician communication; patients often avoided discussing opioids or purposely conveyed underusing them to avoid being labeled a “pill seeker.” Patients experienced structural barriers to obtaining opioids such as prior authorizations, delays in refills, or being questioned by pharmacists about their opioid use. Barriers were stressful, amplified stigma, interfered with pain control, and reinforced ambivalence about opioids.CONCLUSIONSThe US opioid epidemic has stigmatized opioid use and undermined pain management in individuals with advanced cancer. Interventions seeking to alleviate cancer pain should attend to the multiple, negative influences of the opioid crisis on patients' ability to self‐manage.LAY SUMMARY

Patients with advanced cancer suffer from significant pain and frequently receive opioids to manage their pain. Of the 26 patients with advanced cancer interviewed, the majority of patients experienced stigma about their opioid use for cancer pain management.

All patients felt that the opioid epidemic fostered this stigma. Several struggled to use opioids for pain because of this stigma and the logistical complications they experienced with pharmacies and insurance coverage.

Many were afraid to share their concerns about opioids with their providers.

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CRISPR Genome Editing Made Easy Through the CHOPCHOP Website
Authors: Labun Kornel , Krause Maximilian , Torres Cleuren Yamila , Valen Eivind 
Published: April 2021

AbstractThe design of optimal guide RNA (gRNA) sequences for CRISPR systems is challenged by the need to achieve highly efficient editing at the desired location (on‐target editing) with minimal editing at unintended locations (off‐target editing). Although laboratory validation should ideally be used to detect off‐target activity, computational predictions are almost always preferred in practice due to their speed and low cost. Several studies have therefore explored gRNA‐DNA interactions in order to understand how CRISPR complexes select their genomic targets. CHOPCHOP (https://chopchop.cbu.uib.no/) leverages these developments to build a user‐friendly web interface that helps users design optimal gRNAs. CHOPCHOP supports a wide range of CRISPR applications, including gene knock‐out, sequence knock‐in, and RNA knock‐down. Furthermore, CHOPCHOP offers visualization that enables an informed choice of gRNAs and supports experimental validation. In these protocols, we describe the best practices for gRNA design using CHOPCHOP. © 2021 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Design of gRNAs for gene knock‐outAlternate Protocol 1: Design of gRNAs for dCas9 fusion/effector targetingSupport Protocol: Design of gRNAs for targeting transgenic or plasmid sequencesBasic Protocol 2: Design of gRNAs for RNA targetingBasic Protocol 3: Design of gRNAs for sequence knock‐inAlternate Protocol 2: Design of gRNAs for knock‐in using non‐homologous end joiningBasic Protocol 4: Design of gRNAs for knock‐in using Cas9 nickases
Area Oversizing of Lithium Metal Electrodes in Solid‐State Batteries: Relevance for Overvoltage and thus Performance?
Authors: Stolz Lukas , Homann Gerrit , Winter Martin , Kasnatscheew Johannes 
Published: April 2021

AbstractInvited for this month′s cover is the group of Dr. Johannes Kasnatscheew from the Research Center Jülich GmbH. The image shows how area oversizing of lithium can affect the overall power of batteries, in particular at lower temperature. The Full Paper itself is available at 10.1002/cssc.202100213.
Systematic evaluation of a panel of 30 synthetic cannabinoid receptor agonists structurally related to MMB‐4en‐PICA, MDMB‐4en‐PINACA, ADB‐4en‐PINACA, and MMB‐4CN‐BUTINACA using a combination of binding and different CB1 receptor activation assays. Part III: The G protein pathway and critical comparison of different assays
Authors: Grafinger Katharina Elisabeth , Vandeputte Marthe M. , Cannaert Annelies , Ametovski Adam , Sparkes Eric , Cairns Elizabeth , Juchli Patrick Osamu , Haschimi Belal , Pulver Benedikt , Banister Samuel D. , Stove Christophe P. , Auwärter Volker 
Published: April 2021

AbstractThe present work is the last of a three‐part study investigating a panel of 30 systematically designed synthetic cannabinoid receptor agonists (SCRAs) including features such as the 4‐pentenyl tail and varying head groups including amides and esters ofl‐valine (MMB, AB),l‐tert‐leucine (ADB), andl‐phenylalanine (APP), as well as adamantyl (A) and cumyl moieties (CUMYL). Here, we evaluated these SCRAs for their capacity to activate the human cannabinoid receptor 1 (CB1) via indirect measurement of G protein recruitment. Furthermore, we comparatively evaluated the results obtained from three in vitro assays, based on the recruitment of β‐arrestin 2 (βarr2 assay) or Gαiprotein (mini‐Gαiassay), or binding of [35S]‐GTPγS. The observed efficacies (Emax) varied depending on the conducted assay. Statistical analysis suggests that the population means of the relative intrinsic activity (RAi) significantly differ for the [35S]‐GTPγS assay and the other two assays, but the population means of the βarr2 and mini‐Gαiassays were not statistically different. Our data suggest that differences observed between the βarr2 and mini‐Gαiassays are the best predictor for ‘biased agonism’ towards βarr or G protein recruitment in our study. SCRAs carrying an ADB or MPP moiety as a head group tended to produce elevatedEmaxvalues in the βarr2 assay, which might result in a tendency of these compounds to cause pronounced tolerance in users—a hypothesis that should be evaluated further by future studies. In general, a comparison of efficacies derived from different assays is difficult and should only be conducted very cautiously.
Theoretical Investigation of Hydrogen‐Bond‐Assisted Tetradentate N4 Copper(I) Chloride andtrans‐1,2‐Peroxodicopper Complexes
Authors: Zhang Min , Liang Guangchao , Xing Mengjiang 
Published: April 2021

AbstractBiological oxygenation catalyzed by copper‐containing enzymes involves a dicopper O2adduct as the key intermediate. Significant insights were offered by thetrans‐1,2‐peroxodicopper intermediates. To understand the activity of thetrans‐1,2‐peroxodicopper intermediate in the oxygenation, a series of hydrogen‐bond‐assisted CuI(L)−Cl andtrans‐1,2‐peroxodicopper complexes [Cu2−O2]2+were investigated by DFT computations. A reasonable two‐parameter structure‐activity model (R2=0.8611) and a three‐parameter structure‐activity model (R2=0.8773) for chloride dissociation (ΔG1RXN) were established. The critical intramolecular out‐sphere hydrogen bonds assist the formation of stabletrans‐1,2‐peroxodicopper complexes, which overcome the steric hindrances and electrostatic repulsion. An acceptable two‐parameter structure‐activity model (R2=0.7051) for O2binding (ΔG2RXN) was obtained. The fundamental structure‐activity interpretation of the hydrogen bonding interactions provides an insight into the modelling oftrans‐1,2‐peroxodicopper mimics.
The Use of Voltammetry for Sorption Studies of Arsenic (III) Ions by Magnetic Beads Functionalized with Nucleobase Hydrazide Derivatives
Authors: Sawan Simona , Hamze Khalil , Youssef Ali , Bouhadir Kamal , Errachid Abdelhamid , Maalouf Rita , Jaffrezic‐Renault Nicole 
Published: April 2021

AbstractIn this work the interaction characteristics of nucleobases with As(III) are studied. Novel materials consisting of magnetic nanoparticles (MNPs) functionalized with adenine hydrazide (AH), guanine hydrazide (GH) and uracil hydrazide (UH) were elaborated. The adsorption isotherms were investigated electrochemically and it was shown that the adsorption capacity of the nanoparticles towards arsenic (III) increased in the following order: AH<UH<GH. The electrochemical detection of As(III) using the GH functionalized MNPs offered better results compared with the other functionalizations, with a sensitivity of 1.92 μA μg−1 L and a limit of detection of 1.6 μg/L (21 nM).
High Sensitive Electrochemiluminescence Biosensor Based on Ru(phen)32+‐loaded Double Strand DNA as Signal Tags use to Detect DNA Methyltransferase Activity
Authors: Yang Ming , Chen Liping , Guo Longhua , Qiu Bin , Lin Zhenyu 
Published: April 2021

AbstractDNA methyltransferase (DNA MTase) can act as biomarker for many diseases and it is important to develop some new methods for sensitive detection of DNA MTase. In this work, a highly efficient electrochemiluminescence (ECL) sensor had been designed for detection of DNA MTase based on Ru(phen)32+ loaded double strand DNA (dsDNA‐ Ru(phen)32+) as signal tags. Ru(phen)32+ had been efficiently embed in the dsDNA produced through a simple hybridization chain reaction. First, a hairpin probe was designed, which can be specifically recognized by Dam MTase and modified with ‐SH at one end. It was modified on the surface of gold electrode by ‐SH as an immobilization probe (IP). This IP will be methylated in the present of Dam MTase and digested by DpnI following. Results in the release of capture probe (CP) which remains on the surface of gold electrode. The CP can hybridize with the single stand part of the dsDNA‐ Ru(phen)32+ and make the immobilization of ECL tags on the electrode surface, which results in a strong ECL signals detected. However, without the effect of Dam MTase, the hairpin structure of IP remains stable and cannot capture signal tags, and can only detecte weak ECL signals. The biosensor can detect the activity of Dam MTase in the concentration range of 0.01 U/mL to 20 U/mL with the ECL intensity and the logarithm of the concentration have a linear relationship, and the detection limit is calculated to be 7.6 mU/mL. The developed sensor has the ability to specifically detect Dam MTase, which can be differentiated from other types of DNA MTase. In addition, the designed method has good applicability to detect Dam MTase activity in serum samples and been applied to detect its inhibitor with high efficiency.
A thermal nonequilibrium model to natural convection inside non‐Darcy porous layer surrounded by horizontal heated plates with periodic boundary temperatures
Authors: Alomar Omar Rafae , Mohamed Ibrahim A. , Yousif Qais A. , Abd Hareth M. 
Published: April 2021

AbstractThis article displays a numerical investigation on natural convection within non‐Darcy porous layer surrounded by two horizontal surfaces having sinusoidal temperature profiles with difference in phase and wave number. The Darcy–Brinkman–Forchheimer model and local thermal nonequilibrium condition have been employed. Simulations have been performed for wide ranges of inertia coefficient (10–4 ≤ Fs/Pr* ≤ 10–2), thermal conductivity ratio (0.1 ≤ K
r ≤ 100), phase difference (0 ≤ β ≤ π), modified Rayleigh number (200 ≤ Ra* ≤ 1000), wavelength (3 ≤ k ≤ 12), and nondimensional heat transfer coefficient (0.1 ≤ H ≤ 100). Results demonstrate that Nusselt number highly relies on Fs/Pr*, K
r, β, Ra*, and k as compared to H. A considerable enhancement in fluid, solid, and overall Nusselt numbers has been observed with diminishing Fs/Pr* and β and increasing k, K
r, and H. The raising in β has a significant impact on Nu for smaller k and this effect is almost ignored when k > 12. The increase in Ra*, K
r, β, and H and decrease in Fs/Pr* and k acts to reduce the severity of nonequilibrium zone and increase the size of thermal equilibrium zone. The influence of H on nonequilibrium area is more evident than K
r.
Heat transfer improvement in a tube by inserting perforated conical ring and wire coil as turbulators
Authors: Abbaspour Mohammadreza , Mousavi Ajarostaghi Seyed Soheil , Hejazi Rad Seyyed A. H. , Nimafar Mohammad 
Published: April 2021

AbstractIn the present study, two various passive methods for heat transfer enhancement, including conical ring and wire coil are placed in a tube as turbulators. Four conical rings with four side holes are utilized with the same distance. The wire coil is employed at the center of the tube. The considered Reynolds numbers are between 4000 and 10,000. The studied geometrical parameters contain the pitch and diameter of a wire coil. Four different pitches of wire coil, including 10, 12, 14, and 16 mm, are evaluated. Furthermore, four values of wire coil diameter such as 2, 4, 6, and 8 mm are certain. The obtained numerical results displayed that by declining the pitch of a wire coil (37.5%), the average Nusselt number increases by about 143%. Also, augmentation in wire coil diameter by 300% leads to a growth in average Nusselt number by about 131%. Moreover, owing to utilizing two various turbulators, the pressure drop is significantly high in comparison with the bare tube. At Re = 10,000, growth in the inner diameter of the wire coil by 300% leads to an increase in thermal performance by about 36.12%. Moreover, as the pitch of the wire coil rises by 60%, the thermal performance declines by about 35.71%.
Monolithic flow reactor for enzymatic oxidations
Authors: Zverina Libor , Pinelo Manuel , Woodley John M , Daugaard Anders E 
Published: April 2021

AbstractBACKGROUNDOxidation is among the most important reactions in organic chemistry. Enzymatic oxidation offers a greener alternative to a conventional chemo‐catalytic approach and opens the potential for new reactions. However, inefficient use of expensive enzymes and oxygen (O2) limitations represent particular challenges for biocatalytic reactor design. This work reports a new tubular reactor for continuous flow enzymatic oxidations.RESULTSThe reactor comprises a thiol‐functional porous monolith (0.93 ± 0.16 m2 g−1) and an O2‐permeable wall (115 600 ± 1500 mL m−2 day−1). The monolith retains enzyme inside the reactor leading to efficient use. The wall acts as a membrane contactor providing transport of O2 from atmospheric air to the immediate proximity of the enzyme inside the reactor, without any pressure and sparging required. The reactor performance was demonstrated using oxidation of glucose by glucose oxidase (EC 1.1.3.4) coupled with in situ consumption of hydrogen peroxide by horseradish peroxidase (EC 1.11.1.7). At a constant flow rate of 0.1 mL min−1, the product concentration reached 0.10 mmol L−1 after 1.5 h and continued to be relatively high for the next ≥10 h. Overall, the reactor remained active for >40 h using only 15 μg glucose oxidase. Furthermore, the reactor could be rejuvenated by periodic injection of fresh enzyme and thus can operate continuously for extended periods.CONCLUSIONWe have shown here an alternative approach to efficient enzyme use and O2 delivery. Moreover, with its flexible design, the reactor can be optimized to accommodate a range of gas‐dependent biocatalytic transformations. © 2021 Society of Chemical Industry (SCI).