bluuebunny/crossref_metadata_2025_split huggingface dataset:
Plasma drug screening using paper spray mass spectrometry with integrated solid phase extraction
Authors: Zimmerman‐Federle Hannah , Ren Greta , Dowling Sarah , Warren Cassandra , Rusyniak Daniel , Avera Robert , Manicke Nicholas E. 
Published: April 2024

AbstractDrug overdoses have risen dramatically in recent years. We developed a simple nontargeted method using a disposable paper spray cartridge with an integrated solid phase extraction column. This method was used to screen for ~160 fentanyl analogs, synthetic cannabinoids, other synthetic drugs, and traditional drugs of abuse in over 300 authentic overdose samples collected at emergency departments in Indianapolis. A solid phase extraction step was implemented on the paper spray cartridge to enable subnanograms per milliliter synthetic drugs screening in plasma. Analysis was performed on a quadrupole orbitrap mass spectrometer using the sequential window acquisition of all theoretical fragment ion spectra approach in which tandem mass spectrometry was performed using 7 m/z isolation windows in the quadrupole. Calibration curves with isotopically labeled internal standards were constructed for 35 of the most frequently encountered synthetic and traditional illicit drugs by US toxicology labs. Additional qualitative‐only drugs in a suspect screening list were also included. Limits of detection in plasma for synthetic cannabinoids ranged from 0.1 to 0.5 and 0.1 to 0.3 ng/mL for fentanyl and its analogs and between 1 and 5 ng/mL for most other drugs. Relative matrix effects were evaluated by determining the variation of the calibration slope in 10 different lots of biofluid and found to be between 3% and 20%. The method was validated on authentic overdose samples collected from two emergency departments in Indianapolis, Indiana, from suspected or known overdoses. Commonly detected synthetic drugs included fentanyl related substances, designer benzodiazepines such as flubromazolam, and the synthetic cannabinoid 5F‐PB‐22.
Novel Imidazole‐based Hydrazonoyl Cyanides and Amidrazones Containing N(N,O)‐Heterocycles: Selective Synthesis, Reaction Mechanisms and Preliminary Anticancer Evaluation
Authors: Fernandes Soraia P. S. , Gonçalves Jorge M. , Silva Bruna F. , Pereira Eva Q. , Coutinho Paulo J. G. , Pereira‐Wilson Cristina , Dias Alice M. 
Published: April 2024

AbstractTwo series of novel hybrid heterocyclic compounds that combine the imidazole ring with bioactive piperidine, morpholine or piperazine heterosystems, through a hydrazone unit, were easily obtained by two competitive pathways. Starting from 5‐amino‐4‐cyanoformimidoyl imidazoles and 1‐aminopiperidine, 4‐aminomorpholine or 1‐amino‐4‐methylpiperazine under mild acidic media led to the selective synthesis of 5‐aminoimidazole 4‐carboxamidrazones, whereas the corresponding 4‐hydrazonoyl cyanide derivatives were obtained under stronger acidic conditions. These highly functionalized imidazoles provide convenient synthetic precursors to a vast array of heterocycles with potential pharmaceutical applications. The reaction mechanisms were elucidated on the basis of experimental assays and in silico calculations. The compounds were screened against colorectal cancer HCT116‐p53 wt cell line, and significant IC50 values of 3.69 μM and 4.83 μM were obtained.
Asymmetric Construction of Bis‐Spirocyclic Pyrazolones Bearing Vicinal Quaternary Carbon Centers
Authors: Yang Mengjie , Xue Aiqi , Wei Xingfu , Huang Yue , Qu Jingping , Wang Baomin 
Published: April 2024

AbstractA catalytic asymmetric (3+2) cyclization of pyrazolone‐based MBH adducts with alkylidenyl isoxazolones was presented by using DMAP‐derived chiral catalyst, affording bis‐spirocyclic pyrazolones bearing vicinal all‐carbon quaternary stereocenters within an imbedded cyclopentene ring scaffold in good yields with excellent stereoselectivities under mild conditions.
Construction of 3‐Substituted Phthalides via Lewis Acid‐Catalyzed Intramolecular Ring Opening of Aziridines with Esters
Authors: Xing Siyang , Zhang Panpan , Tian Zhen , Yang Jingmeng , Pang Yuhao , Liao Yuanfen , Liu Yang , Wang Kui , Zhu Bolin 
Published: April 2024

AbstractA new strategy for the synthesis of 3‐substituted phthalides has been developed via a Lewis acid‐catalyzed intramolecular ring opening of aziridines with esters. Broad substrate scope, good yields and mild conditions made the cyclization reaction very suitable for the rapid construction of libraries of 3‐substituted phthalide compounds.
Ionic liquid and ZnO/carbon quantum dots derived from cat hair as an electrochemical sensor for ciprofloxacin in food samples: Experimental and cell‐imaging studies
Authors: Leticia Almada‐Leyva M. , Tecuapa‐Flores Eduardo D. , Garcia Rojas Liliana Margarita , Thangarasu Pandiyan 
Published: April 2024

AbstractCiprofloxacin (CIP) has been widely used to treat bacterial infections, generating biofluid residues and it endangers health via the food chain; thus, the determination of CIP is essential in food samples. In this work, CPE/ZnO/CQD was prepared from ZnO nanoparticles (ZnO NPs) and carbon quantum dots (CQD) derived from cat hair and modified the graphite carbon paste electrode (CPE); the above electrode sample was further modified by incorporating ionic liquid (IL) to give CPE/ZnO/CQD@IL. The above materials were employed as electrochemical sensors for the recognition of CIP in milk and eggs after the characterization by different analytical techniques (XRD, FT‐IR, SEM, TEM, and EDS). The results show that the presence of nanoparticles in the CPE has improved the electrocatalytic properties, giving a greater heterogeneous electron transfer rate constant (k0=6.51×10−4 cm/s) for CPE/ZnO/CQD as compared to unmodified CPE (3.94×10−4 cm/s), and for CPE/ZnO/CQD/IL, with modification of sample by IL, the rate constant has been further increased to k0=8.34×10−4 cm/s. Thereafter, CPE/ZnO/CQD and CPE/ZnO/CQD@IL were employed for the detection of CIP in food samples such as milk and eggs, observing a maximum oxidation current for CIP at pH 3.0; the limit of detection (LOD) was 0.24, and 0.30 μM for CPE/ZnO/CQD, and CPE/ZnO/CQD@IL, respectively, and those values are much lower than those reported due to the synergistic effect generated by the combination of ZnO/CQD and IL. Furthermore, cell images were developed using ZnO/CQD and ZnO/CQD@IL in real samples like Saccharomyces cerevisiae cells in the presence of CIP.
Comparing thermoplastic electrode materials: Toward enhanced sensing of O2 and H2O2 in flow devices
Authors: Clark Kaylee M. , Cherwin Amanda E. , Boes Jason , Russo Matthew J. , Henry Charles S. 
Published: April 2024

AbstractCarbon composite electrodes often suffer from poor electrocatalytic activity and require complex, expensive, or time‐consuming modifications to effectively detect certain analytes such as O2 and H2O2. Thermoplastic electrodes (TPEs) are a new class of composite electrodes, fabricated by mixing commercial graphite with a thermopolymer, that exhibit superior electrochemical properties to typical carbon composite electrodes. This work investigates the properties of TPEs using two thermopolymer binders – polycaprolactone (PCL) and polystyrene (PS) – with sanded and heat‐pressed surface treatments. XPS and SEM analysis suggested that sanded TPEs have a higher density of graphitic edge planes and improved electrochemistry as a result. Electrochemical detection of O2 and H2O2 was demonstrated on sanded PS TPEs. Additionally, this work introduces the first use of a 3D‐printed TPE template as part of a 3D‐printed sensor module that is reversibly sealed with magnets as a proof‐of‐concept flow‐based sensor for detecting H2O2.
Numerical investigation on smoke control with new‐style horizontal smoke baffle in an immersed road tunnel
Authors: Zhang Shaogang , Diao Dongyi , Shi Long , Cheng Xudong , Liu Jiahao , Liu Jianghong , Wang Jinhui , Cong Beihua 
Published: April 2024

AbstractTo investigate the improvement induced by horizontal smoke baffles during lateral smoke exhaust, an immersed road tunnel with various horizontal smoke baffles positioned below the lateral exhaust vent was studied numerically. Together with the velocity field characteristics, the temperature distribution was investigated near the lateral smoke exhaust vent, followed by the analysis of lateral smoke exhaust efficiency under different horizontal smoke baffles. Results showed that after installing the horizontal smoke baffle, there was a significant decrease in the extracted cold air, while the high‐temperature smoke in the exhaust vent increases, indicating the plug‐holing is effectively suppressed. It is known that the efficiency of smoke exhaust increases when the length exceedance ratio of the horizontal smoke baffle is smaller than 100%, while it changes slightly when the baffle length continues to increase. When the width ratio of horizontal baffle is smaller than 40%, the efficiency of smoke exhaust increases with the baffle width and then changes slightly with a wider smoke baffle. With a larger aspect ratio, the wider and shorter lateral exhaust vent is beneficial for improving the lateral smoke exhaust. Under the current conditions, the case shows the optimal smoke exhaust performance with a horizontal baffle length exceedance ratio of 100%, a baffle width ratio of 40%, and exhaust vent aspect ratio of 3:1. Finally, an empirical model is developed to describe the improvement of smoke exhaust efficiency caused by horizontal smoke baffle. These outcomes are helpful to the design of lateral smoke extraction system in road tunnels.
Introducing Copi as a Positive Path Toward Combatting Invasive Carps in North America
Authors: Garvey James E , Irons Kevin S , Behnfeldt Gina , Kwasek Karolina A 
Published: April 2024

Abstract
A group of loosely related, large-bodied fishes collectively called carps have had a complex relationship with North Americans. Despite lessons learned about invasive Common Carp Cyprinus carpio in the early 1900s, Bighead Carp Hypophthalmichthys nobilis, Black Carp Mylopharyngodon piceus, Grass Carp Ctenopharyngodon idella, and Silver Carp H. molitrix were introduced to the United States more than 50 years ago and are expanding throughout the Mississippi River basin. Increased economic value in the North American seafood market could aid management. Complete eradication through harvest is unlikely, but controlling densities and containing dispersal may be possible. Improving perceptions of nutrition, palatability, and safety of wild-caught carps should increase consumer demand. A branding and marketing effort launched in June 2022 renamed the foodstuff produced from the four species as the trademarked brand Copi. The “Choose Copi: Eat Well. Do Good.” campaign allows consumers to know that these fishes are an environmentally sound and responsible alternative to other seafood choices. The Copi brand has gained interest nationwide, with food processors and distributors engaged, although the contribution of Copi to harvest removal from rivers and resulting population dynamics is yet to be quantified. Developing a regional fishing industry for Copi, while also aiding fisheries and aquaculture for native species, remains an economic and logistical challenge within the vast river network.
Improving dietary citric acid production by the wild‐type Aspergillus niger ASP26 strain isolated from date by‐product
Authors: Bellaouchi Reda , Hasnaoui Ismail , Idrissi Yahyaoui Meryem , Bentouhami Noureddine , Hasnaoui Amina , Taibi Mohamed , Elbouzidi Amine , Salamatullah Ahmad Mohammad , Nafidi Hiba‐Allah , Dauelbait Musaab , Bourhia Mohammed , Abouloifa Houssam , Rokni Yahya , Ghabbour Nabil , Saalaoui Ennouamane , Asehraou Abdeslam 
Published: April 2024

AbstractThis research investigates citric acid (CA) synthesis using the indigenous strain Aspergillus niger ASP26, which was isolated from date by‐products. The study initially involved isolating fungi capable of CA production and identifying the most potent strain based on its characteristic enzymatic activity. A. niger ASP26 was acknowledged in a previous study for its remarkable ability to produce extracellular enzymes, such as cellulase and amylase, which enable it to degrade organic materials effectively. After the identification phase, these isolates were screened for CA production using a modified Czapek‐Dox medium. The research identified significant factors affecting CA production in submerged fermentation, including pH, carbon source, inoculum size, and fermentation time. Optimal conditions were determined for A. niger ASP26, resulting in a maximum CA yield of 16.89 g/L. These conditions included a 2.5% spore suspension at 2 × 107 spores/mL, an initial glucose concentration of 125 g/L, and incubation at 30°C for 144 h. Notably, A. niger ASP26 demonstrated the ability to produce CA under stress conditions as well. Citric acid is essential for various biological processes, such as cellular respiration, and is naturally present in citrus fruits. It also serves as a preservative and flavor enhancer in processed foods and beverages. The ability of A. niger ASP26 to produce CA from agricultural residues positions it as a viable candidate for sustainable CA production, harnessing the value from organic waste materials.
Oligodendrocyte‐selective deletion of the eIF2α kinase Perk/Eif2ak3 limits functional recovery after spinal cord injury
Authors: Saraswat Ohri Sujata , Forston Michael D. , Myers Scott A. , Brown Brandon L. , Andres Kariena R. , Howard Russell M. , Gao Yonglin , Liu Yu , Cavener Douglas R. , Hetman Michal , Whittemore Scott R. 
Published: April 2024

AbstractAfter spinal cord injury (SCI), re‐establishing cellular homeostasis is critical to optimize functional recovery. Central to that response is PERK signaling, which ultimately initiates a pro‐apoptotic response if cellular homeostasis cannot be restored. Oligodendrocyte (OL) loss and white matter damage drive functional consequences and determine recovery potential after thoracic contusive SCI. We examined acute (<48 h post‐SCI) and chronic (6 weeks post‐SCI) effects of conditionally deleting Perk from OLs prior to SCI. While Perk transcript is expressed in many types of cells in the adult spinal cord, its levels are disproportionately high in OL lineage cells. Deletion of OL‐Perk prior to SCI resulted in: (1) enhanced acute phosphorylation of eIF2α, a major PERK substrate and the critical mediator of the integrated stress response (ISR), (2) enhanced acute expression of the downstream ISR genes Atf4, Ddit3/Chop, and Tnfrsf10b/Dr5, (3) reduced acute OL lineage‐specific Olig2 mRNA, but not neuronal or astrocytic mRNAs, (4) chronically decreased OL content in the spared white matter at the injury epicenter, (5) impaired hindlimb locomotor recovery, and (6) reduced chronic epicenter white matter sparing. Cultured primary OL precursor cells with reduced PERK expression and activated ER stress response showed: (1) unaffected phosphorylation of eIF2α, (2) enhanced ISR gene induction, and (3) increased cytotoxicity. Therefore, OL‐Perk deficiency exacerbates ISR signaling and potentiates white matter damage after SCI. The latter effect is likely mediated by increased loss of Perk−/− OLs.
Free temporalis muscle fascia graft in dural reconstruction following surgical resection of intermediate and malignant skull base tumors: A 10‐year experience from a single center
Authors: Jurlina Martin , Mamic Matija , Pupic‐Bakrac Jure , Matoc Lovro , Jednacak Hrvoje , Luksic Ivica , Zizic Marica 
Published: April 2024

AbstractBackgroundData from patients with post‐ablative dural defects reconstructed using a free temporalis muscle fascia graft (FTFG) after resection of anterior or central skull base tumors were retrospectively analyzed.MethodsThe primary predictor and outcome variables were the reconstructive methods for dural repair and postoperative cerebrospinal fluid (CSF) leakage rate, respectively.ResultsEighty patients were included, and 94 postoperative dural reconstructions were performed using FTFG. The postoperative CSF leakage rate was 3.19%. The postoperative CSF leakage rates did not significantly differ between open and endonasal endoscopic surgeries (1.92% vs. 4.88%; p > 0.05). In cases completed using the endonasal endoscopic approach, the postoperative CSF leakage rate was significantly associated with the intraoperative CSF leak flow (p < 0.05).ConclusionsPost‐ablative dural defect reconstruction using FTFG resulted in low postoperative CSF leakage and complication rates comparable to those of free fascia lata graft from available literature.
Breastfeeding duration is associated with favorable body composition and lower glycoprotein acetyls in later life
Authors: McNestry Catherine , Crowley Rachel K. , O'Reilly Sharleen L. , Kasemiire Alice , Callanan Sophie , Delahunt Anna , Twomey Patrick J. , McAuliffe Fionnuala M. 
Published: April 2024

AbstractObjectiveThe aim of the present study was to investigate associations between lifetime breastfeeding behaviors and cardiovascular risk in later reproductive years.MethodThis was a prospective 10‐year longitudinal cohort study of 168 parous women. Health, lifestyle and infant feeding questionnaires, blood samples, anthropometry and body composition were collected. Cardiovascular risk was estimated using QRISK®3 and hierarchical multiple linear regression analysis performed.ResultsMean age was 42.4 years (SD 3.8; range 31–50) and 98.7% (n = 156/158) were premenopausal. Ever breastfeeding rates were 72.6% (n = 122/168) and 37.5% (n = 63/168) lifetime ≥12 months breastfeeding duration. Median durations were 5.5 weeks for exclusive breastfeeding (IQR 35.8; range 0–190) and 30.5 weeks for any breastfeeding (IQR 84.0; range 0–488). Breastfeeding duration was not associated with QRISK®3 scores in adjusted models. Lower glycoprotein acetyls were associated with ever breastfeeding (P = 0.03), and lifetime breastfeeding ≥12 months (P = 0.001). Lifetime breastfeeding ≥12 months and longer exclusive breastfeeding were associated with lower fat mass index (P = 0.03, P = 0.01), tissue percentage fat (P = 0.02, P = 0.009) and visceral adipose tissue volume (P = 0.04, P = 0.025) after correcting for confounders including body mass index.ConclusionLonger breastfeeding is associated with favorable body composition and lower glycoprotein acetyls, a novel inflammatory biomarker associated with cardiometabolic risk. Breastfeeding is a low‐cost, health promoting behavior for women and infants. Pregnant women, especially those at higher risk of cardiovascular disease, should be counseled about the potential benefits of exclusive and longer breastfeeding duration.
Testing the modifiability of episodic future thinking and episodic memory among suicidal and nonsuicidal adolescents
Authors: Goger Pauline , Nam Rachel J. , Lowry Nathan , Bell Kerri‐Anne , Parvez Neha , Pollak Olivia H. , Robinaugh Donald J. , Schacter Daniel L. , Cha Christine B. 
Published: April 2024

AbstractBackgroundDespite increased attention on treatment and prevention for suicidal adolescents, we know little about potential intervention targets. Episodic future thinking—the ability to imagine detailed, personal, and future‐oriented events—is a modifiable cognitive process that has been linked with suicidal ideation (SI) in adolescents. However, until now its modifiability has only been tested in adults.MethodAdolescents (N = 176, ages 15–19; 71% SI) completed performance‐based measures of episodic future thinking (i.e., Experimental Recombination Paradigm) and memory immediately before and after an Episodic Specificity Induction (ESI).ResultsAdolescents produced a greater number of future episodic details after (vs. before) the ESI but showed no change in non‐episodic details (e.g., semantic information). Patterns of change in episodic future thinking were not moderated by SI history. Adolescents overall did not demonstrate change in past episodic detail counts after the ESI. However, there were select moderating effects of SI history on this effect.ConclusionResults show that episodic future thinking can change immediately following an episodic specificity induction among adolescents, regardless of whether they have previously experienced SI. This demonstration of within‐person change constitutes a foundational first step in examining malleability of episodic future thinking in adolescents and offers preliminary evidence of a cognitive mechanism that may be leveraged in service of reducing adolescents' SI.
Reaction path identification and validation from molecular dynamics simulations of hydrocarbon pyrolysis
Authors: Schmalz Felix , Kopp Wassja A. , Goudeli Eirini , Leonhard Kai 
Published: April 2024

AbstractCreation of complex chemical mechanisms for hydrocarbon pyrolysis and combustion is challenging due to the large number of species and reactions involved. Reactive molecular dynamics (RMD) enables the simulation of thousands of reactions and the discovery of previously unknown components of the reaction network. However, due to the inherent imprecision of reactive force fields, it is necessary to verify RMD‐obtained reaction paths using more accurate methods such as Density Functional Theory (DFT). We demonstrate a method for identification and confirmation of reaction pathways from RMD that supplement an established mechanism, using the example of benzene formation from n‐heptane and iso‐octane pyrolysis. We establish a validation workflow to extract reaction geometries from RMD and optimize transition states using the Nudged‐Elastic‐Band method on semi‐empirical and quantum mechanical levels of theory. Our findings demonstrate that the widely recognized ReaxFF parameterization, CHO2016, can identify known pathways from a established soot formation mechanism while also indicating new ones. We also show that CHO2016 underestimates hydrogen migration barriers by up to as compared to DFT and can lower activation barriers significantly for spin‐forbidden reactions. This highlights the necessity for validation or potentially even reparametrization of CHO2016.
On some properties of generalized squeezing functions and Fridman invariants
Authors: Yang Shichao , Zhang Shuo 
Published: April 2024

AbstractThe purpose of this paper is twofold. The first aim is to study the comparison of generalized squeezing functions and Fridaman invariants of some special domains. Then, the second aim is to give estimates for these two invariants and discuss their boundary behavior near inessential boundary points.
A case of polyglucosan body myopathy caused by an RBCK1 gene variant and literature review
Authors: Sun Qiqing , Xie Zhenhua , Song Lifang , Fu Dapeng 
Published: April 2024

AbstractObjectiveTo analyze the clinical and genetic characteristics of a patient with Polyglucosan body myopathy 1 (PGBM1) caused by a novel compound heterozygous variant in the RBCK1 gene.MethodsThe clinical data of the patient were collected, next‐generation sequencing technology was used to determine the exome sequence of the patient, and the suspected pathogenic locus was verified by Sanger sequencing.ResultsThrough whole‐exome sequencing, we found that there were c.919G>T; p. (Glu307*) and c.723_730dup; p. (Glu244fs) variants of the RBCK1 gene in the patient, inherited from his parents, constituting a compound heterozygous variation. According to the guidelines of the American College of Medical Genetics and Genomics (ACMG), the two variants were rated as pathogenic, but there were no comparable cases. Previous literature reported 24 patients with RBCK1 gene variants, involving a total of 20 myocardial and 18 skeletal muscle cases.ConclusionsThe patient was twice diagnosed with cardiac insufficiency, neglecting the usual manifestations of muscle weakness, resulting in misdiagnosis. Later, novel variants in the RBCK1 gene were discovered through whole‐exome sequencing, and symptomatic treatment was given after diagnosis. The importance of whole‐exome sequencing technology in disease diagnosis and genetic counseling was emphasized.