bluuebunny/crossref_metadata_2025_split huggingface dataset:
Two‐dimensional Pure Isotropic Proton Solid State NMR
Authors: Moutzouri Pinelopi , Cordova Manuel , Simões de Almeida Bruno , Torodii Daria , Emsley Lyndon 
Published: March 2023

AbstractOne key bottleneck of solid‐state NMR spectroscopy is that 1H NMR spectra of organic solids are often very broad due to the presence of a strong network of dipolar couplings. We have recently suggested a new approach to tackle this problem. More specifically, we parametrically mapped errors leading to residual dipolar broadening into a second dimension and removed them in a correlation experiment. In this way pure isotropic proton (PIP) spectra were obtained that contain only isotropic shifts and provide the highest 1H NMR resolution available today in rigid solids. Here, using a deep‐learning method, we extend the PIP approach to a second dimension, and for samples of L‐tyrosine hydrochloride and ampicillin we obtain high resolution 1H‐1H double‐quantum/single‐quantum dipolar correlation and spin‐diffusion spectra with significantly higher resolution than the corresponding spectra at 100 kHz MAS, allowing the identification of previously overlapped isotropic correlation peaks.
Hypsochromically‐shifted Emission of Metal‐organic Frameworks Generated through Post‐synthetic Ligand Reduction
Authors: Smith Kyle T. , Hunter Kye , Chiu Nan‐Chieh , Zhuang Hao , Jumrusprasert Peemapat , Stickle William F. , Reimer Jeffrey A. , Zuehlsdorff Tim J. , Stylianou Kyriakos C. 
Published: March 2023

AbstractLuminescent materials with tunable emission are becoming increasingly desirable as we move towards needing efficient Light Emitting Diodes (LEDs) for displays. Key to developing better displays is the advancement of strategies for rationally designing emissive materials that are tunable and efficient. We report a series of emissive metal‐organic frameworks (MOFs) generated using BUT‐10 (BUT: Beijing University of Technology) that emits green light with λmax at 525 nm. Post‐synthetic reduction of the ketone on the fluorenone ligand in BUT‐10 generates new materials, BUT‐10‐M and BUT‐10‐R. The emission for BUT‐10‐R is hypsochromically‐shifted by 113 nm. Multivariate BUT‐10‐M structures demonstrate emission with two maxima corresponding to the emission of both fluorenol and fluorenone moieties present in their structures. Our study represents a novel post‐synthetic ligand reduction strategy for producing emissive MOFs with tunable emission ranging from green, white‐blue to deep blue.
Diastereoselective Synthesis of Cyclopropanes from Carbon Pronucleophiles and Alkenes
Authors: Kim Min Ji , Wang Diana J. , Targos Karina , Garcia Uriel A. , Harris Alison F. , Guzei Ilia A. , Wickens Zachary K. 
Published: March 2023

AbstractCyclopropanes are desirable structural motifs with valuable applications in drug discovery and beyond. Established alkene cyclopropanation methods give rise to cyclopropanes with a limited array of substituents, are difficult to scale, or both. Herein, we disclose a new cyclopropane synthesis through the formal coupling of abundant carbon pronucleophiles and unactivated alkenes. This strategy exploits dicationic adducts derived from electrolysis of thianthrene in the presence of alkene substrates. We find that these dielectrophiles undergo cyclopropanation with methylene pronucleophiles via alkenyl thianthrenium intermediates. This protocol is scalable, proceeds with high diastereoselectivity, and tolerates diverse functional groups on both the alkene and pronucleophile coupling partners. To validate the utility of this new procedure, we prepared an array of substituted analogs of an established cyclopropane that is en route to multiple pharmaceuticals.
Study on the crystallisation formation mechanism and breakage of tunnel drainage system in dolomite area
Authors: Chen Chaoying , Rao Junying , Tao Yonghu , Nie Chongxin , Xiong Peng , Xue Yanghao , Peng Xing 
Published: March 2023

AbstractDolomite is a soluble salt rock, and in dolomite locations, tunnel drainage systems are frequently clogged by crystallisation, resulting in tunnel leaks. This research starts with a field survey to investigate the environmental conditions that influence crystal formation and sample collection. Afterward, the crystals underwent examination using EDS, scanning electron microscopy (SEM) and XRD, which enabled the analysis of crystals' elemental composition, matter composition and microstructure. Finally, a measure for crystal removal using ultrasound is proposed. The feasibility of ultrasonic crystal removal was verified by the indoor model experiment. The results show that the crystals contain mainly metallic elements such as Ca, Mg and Al. The main component of the crystals is CaCO3. The crystals also contain small amounts of Mg (OH)2, Al (OH)2 and CaAl2(SO4)3(OH)2‐26H2O. As the ultrasonic frequency increases, the de‐crystallisation effect becomes more pronounced. At ultrasonic frequencies greater than 50 kHz, the growth in crystal break‐up efficiency tends to level off. Therefore, the ultrasonic frequency based on this parameter will be used to remove the crystals.
Approximation of circle number π by spread‐plating Escherichia coli
Authors: Schiffel Florian , Noll Stephan 
Published: March 2023

AbstractIdeally, microbial spread plating results in randomly distributed colonies on the agar surface. This can be seen as a Monte Carlo simulation and enables probabilistic approximation of circle number π. We perform π approximation in a microbiology undergraduate course to awaken the students' ambition for a good spread plating technique.
The associations among childhood trauma, loneliness, mental health symptoms, and indicators of social exclusion in adulthood: A UK Biobank study
Authors: Allen Sarah F. , Gilbody Simon , Atkin Karl , van der Feltz‐Cornelis Christina M. 
Published: March 2023

AbstractAimsChildhood trauma has been associated with adult psychosocial outcomes linked to social exclusion. However, the strength of these associations in the general population is unknown. The emergence of the UK Biobank, with rich phenotypic characterization of the adult population, affords the exploration of the childhood determinants of adult psychopathology with greater statistical power. The current study aims to explore (1) the associations between childhood trauma and social exclusion in adulthood and (2) the role that self‐reported loneliness and symptoms of distress play in the associations.MethodsThis study was an analysis of 87,545 participants (mean [± SD] age = 55.68 [7.78], 55.0% female, 97.4% White) enrolled in the UK Biobank. Childhood trauma was determined by the five‐item Childhood Trauma Screener. Current loneliness and symptoms of anxiety (Generalized Anxiety Disorder Scale‐7) and depression (Patient Health Questionnaire‐9) were also entered in analyses. Outcomes were “limited social participation,” “area deprivation,” “individual deprivation,” and “social exclusion” from a previously determined dimensional measure of social exclusion in the UK Biobank.ResultsHierarchical multiple regression models indicated small associations between childhood trauma and social exclusion outcomes, explaining between 1.5% and 5.0% of the variance. Associations weakened but remained significant when loneliness, anxiety, and depression were entered in the models; however, anxiety symptoms demonstrated a negative association with “individual deprivation” and “social exclusion” in the final models. Depression was most strongly associated with “individual deprivation,” “area deprivation,” and “social exclusion” followed by childhood trauma. Loneliness was most strongly associated with “limited social participation.”ConclusionsExperiences of childhood trauma can increase the propensity for adulthood social exclusion. Loneliness and symptoms of depression attenuate but do not eliminate these associations. Anxiety symptoms have a potentially protective effect on the development of “individual deprivation.” Findings add to the growing body of literature advocating for trauma‐informed approaches in a variety of settings to help ameliorate the effects of childhood trauma on adult psychosocial outcomes. Further research, however, is required.
Classifying Australian citizens' responses to COVID‐19 preventative behaviour directives: A latent class approach
Authors: Oldmeadow Julian A. , Elphinstone Bradley , Sivasubramaniam Diane , Wheeler Melissa A. , Wilson Sam , Buzwell Simone , Beaudry Jennifer , Williams James S. , Critchley Christine 
Published: March 2023

AbstractThe primary defence against COVID‐19 has been the implementation of public health measures that rely on voluntary compliance with behavioural directives. Compliance is often conceptualised as a single dimension, but there may be distinct patterns of compliance with COVID‐19 preventative behaviours. This study examined behavioural profiles in response to preventative behaviour directives during the early stages of the COVID‐19 pandemic in Australia. A representative sample of Australian residents (n = 978) responded to a survey measuring self‐reported compliance with a range of preventative measures, trust in various institutions and a range of psychological and demographic variables. The latent class analysis identified five distinct behavioural profiles characterised by different degrees of compliance with different health behaviours. In addition to those who complied with most measures and those who complied with none, there were profiles that complied with most measures except specific ones, including limiting interactions with others and visitations. These profiles were associated with a number of demographic and psychological characteristics, including trust. Implications for public health interventions are discussed.
New Fluoroquinolone‐1,2,4‐triazoles as Potent Antibacterial Agents: Design, Synthesis, Docking Studies and in Silico ADME Profiles
Authors: Rao Gollapalli Venkateswara , Babu Bollikolla Hari , Rao Allaka Tejeswara , Ranga Rao Vaddi Pandu , Basireddy Sravanthi , Ganivada Mutyalanaidu , Reddy Pindi Santhosh 
Published: March 2023

AbstractOur current work is aimed at synthesizing novel substituted 1,2,4‐triazolyl‐fluoroquinolone analogs and study of their biological activity to find active promising molecules. The structural elucidation of the products was demonstrated by a variety of spectroscopic methods such as IR, 1H‐NMR, 13C‐NMR, mass and elemental analysis. The newly synthesized 1,2,4‐triazole derivatives were tested in vitro for their ability to inhibit the growth of seven different microbes including S. epidermidis, S. pneumoniae, S. aureus, B. subtilis, K. pneumoniae, E. coli, and P. aeruginosa. Five FQ derivatives 5d, 5e, 5h, 5j, and 5b have demonstrated good antibacterial activity against S. pneumoniae with MICs ranging from 2.5–22.0 μg/mL, while 5c, 5g reported comparable activity against P. aeruginosa with respect to the standard drugs moxifloxacin and ciprofloxacin. The possible mechanism of antibacterial activity of fluoroquinolones was investigated via molecular docking by using DNA gyrase of S. pneumoniae (3RAE). The pefloxacin derivatives also tended a good antibacterial ability based on the results of the molecular docking, ligand 5h with good binding affinity (−9.92 Kcal/mol) and binding site interactions via ValA:86, SerA:79, TyrA:82, MetA:116, AspA:78, AlaA:63, ArgA:117, ProA:112, ProA:113, AlaA:115, AlaA:114. These scaffolds were further evaluated for their ADMET and physicochemical properties by using SwissADME, ADMETlab2.0 web server as a good oral bioavailability.
Waste Cooking Oil Conversion to Biodiesel Using Solid Bifunctional Catalysts
Authors: Aderibigbe Fatai Alade , Saka Harvis Bamidele , Mustapha Sherif Ishola , Amosa Mutiu Kolade , Shiru Suleiman , Tijani Idowu Abdulfatai , Babatunde Esther Oluwabunmi , Bello Bisola Taibat 
Published: March 2023

AbstractThe draining of fossil fuels and their toxic influence on the environment has prompted the need for alternative fuels known as biofuels. Of the various types of biofuel, biodiesel has attracted wide interest in the world today since it promotes carbon neutrality. The transesterification and interesterification process remains the most widely used process route for biodiesel production. In this review, the performance efficiency of solid base, solid acid, and bifunctional solid acid‐base catalysts for biodiesel production from waste cooking oil is considered. In particular, the benefit of exploring the biomass‐derived acid‐base heterogeneous bifunctional catalysts, current status, and future prospects for biodiesel production from waste cooking oil are elucidated.
Cut, score, press, shock, or ablate?
Authors: Seto Arnold H. 
Published: March 2023

Key Points
Cutting balloon angioplasty can modify fibrous or mildly calcified plaques before stent implantation.
The present randomized study shows that high‐pressure cutting balloon angioplasty provides for a larger minimal stent area than standard noncompliant balloons, at the cost of a small risk of perforation.
At a time when multiple plaque modification technologies are available, the simplicity and lower cost of cutting balloon angioplasty may ensure a continued role in percutaneous coronary intervention.
Long‐term durability of self‐expanding and balloon‐expandable transcatheter aortic valve prostheses: UK TAVI registry
Authors: Ali Noman , Hildick‐Smith David , Parker Jessica , Malkin Christopher J. , Cunnington Michael S. , Gurung Shuslim , Mailey Jonathan , MacCarthy Philip A. , Bharucha Apurva , Brecker Stephen J. , Hoole Stephen P. , Dorman Stephen , Doshi Sagar N. , Wiper Andrew , Buch Mamta H. , Banning Adrian P. , Spence Mark S. , Blackman Daniel J. 
Published: March 2023

AbstractBackgroundWith expansion of transcatheter aortic valve implantation (TAVI) into younger patients, valve durability is critically important.AimsWe aimed to evaluate long‐term valve function and incidence of severe structural valve deterioration (SVD) among patients ≥ 10‐years post‐TAVI and with echocardiographic follow‐up at least 5‐years postprocedure.MethodsData on patients who underwent TAVI from 2007 to 2011 were obtained from the UK TAVI registry. Patients with paired echocardiograms postprocedure and ≥5‐years post‐TAVI were included. Severe SVD was determined according to European task force guidelines.Results221 patients (79.4 ± 7.3 years; 53% male) were included with median echocardiographic follow‐up 7.0 years (range 5−13 years). Follow‐up exceeded 10 years in 43 patients (19.5%). Valve types were the supra‐annular self‐expanding CoreValve (SEV; n = 143, 67%), balloon‐expandable SAPIEN/XT (BEV; n = 67, 31%), Portico (n = 4, 5%) and unknown (n = 7, 3%). There was no difference between postprocedure and follow‐up peak gradient in the overall cohort (19.3 vs. 18.4 mmHg; p = NS) or in those with ≥10‐years follow‐up (21.1 vs. 21.1 mmHg; p = NS). Severe SVD occurred in 13 patients (5.9%; median 7.8‐years post‐TAVI). Three cases (23.1%) were due to regurgitation and 10 (76.9%) to stenosis. Valve‐related reintervention/death occurred in 5 patients (2.3%). Severe SVD was more frequent with BEV than SEV (11.9% vs. 3.5%; p = 0.02), driven by a difference in patients treated with small valves (BEV 28.6% vs. SEV 3.0%; p < 0.01).ConclusionsHemodynamic function of transcatheter heart valves remains stable up to more than 10 years post‐TAVI. Severe SVD occurred in 5.9%, and valve‐related death/reintervention in 2.3%. Severe SVD was more common with BEV than SEV.
Cerebral infarction as initial manifestation of meningovascular neurosyphilis in an immunocompetent patient – A case report with long term follow‐up
Authors: Batinić Davor , Antulov Ronald , Klupka‐Sarić Inge , Ivanković Anita , Jurina Renata , Karlović Vidaković Marijana , Talić Drlje Ivana , Arapović Jurica 
Published: March 2023

AbstractTo present a 29‐year‐old immunocompetent patient with neurosyphilitic changes characterized by multiple acute ischemic brain strokes along with significant narrowing of several large intracranial arteries. Ceftriaxone treatment for 14 days followed by benzathine benzylpenicillin weekly for additional 3 weeks, showed improvement in meningovascular changes.
A case of reversible hypoparathyroidism in a patient with Riedel's thyroiditis treated with glucocorticoids
Authors: Salhi Salma , Oueslati Ibtissem , Ayari Sabrina , Kamoun Elyes , Yazidi Meriem , Chihaoui Melika 
Published: March 2023

AbstractA 48‐year‐old woman with a history of primary hypothyroidism, presented with compressive symptoms secondary to a rapid enlargement of a preexisting goiter. She had no clinical signs of hypocalcemia. Biological tests revealed hypoparathyroidism. Cervicothoracic computed tomography scan showed a heterogeneous compressive goiter. The patient was treated with levothyroxine, calcium, and alfacalcidol. A total thyroidectomy was not performed because of the hard adhesion to neighboring structures. Histopathological examination of the thyroid biopsy was consistent with the diagnosis of Riedel's thyroiditis (RT). The patient was treated with glucocorticoids. The outcome was marked by the resolution of compressive symptoms and the decrease of the thyroid gland volume. Serum calcium and parathyroid hormone levels reached normal ranges after the discontinuation of vitaminocalcic supplementation. Hypoparathyroidism may be clinically asymptomatic in a patient with RT as in our case. Early administration of glucocorticoids may be effective in reducing the fibrosclerotic process and lead to the recovery of parathyroid dysfunction.
High‐flow nasal cannula oxygen therapy for respiratory management after postoperative re‐intubation/re‐extubation in patients with trisomy 18 and trisomy 13: Two case reports
Authors: Hirano Hirofumi , Taniguchi Yoshie , Kato Masato 
Published: March 2023

AbstractWe present two cases of general anesthesia in children with 18, 13 trisomy. One patient had difficulty with intubation and had to be reintubated postoperatively, another developed postoperative acute respiratory distress syndrome. The use of postoperative high‐flow nasal cannula oxygen therapy to avoid reintubation is considered a feasible strategy.
Nanosecond Memristor Based on Oxygen Vacancy Engineering in SrTiO3 Single Crystal
Authors: Du Qin , Wang Wenli , Wu Jingen , Hu Zhongqiang , Wang Zhiguang , Liu Ming 
Published: March 2023

AbstractMemristors are of great significance for the construction of memory devices and neuromorphological computing, which need a fast response time for ultrahigh data storage, ultrafast information processing, and efficient neuromorphic computing. Currently, memristors based on perovskite oxide materials generally have a long response time. In this paper, the electroforming‐free memristive behavior based on Ar+ irradiating induced oxygen vacancy modulation in SrTiO3 (STO) has been investigated. The Ag/STO/(Ta/Pt) device shows a stable bipolar resistive switching (RS) characteristic and can realize ultrafast multi‐resistance switching behavior. More importantly, its conductance can be continuously controlled with short pulse on the nanosecond scale to simulate potentiation and depression of synapse, promising potential application in ultra‐fast biological synapse and high‐efficiency training of neural networks. More importantly, the defect engineering strategy used in this work provides more freedom for the design and optimization of versatile memristor devices.
Quantification of Glycosaminoglycans in Urine by Isotope‐Dilution Liquid Chromatography‐Electrospray Ionization Tandem Mass Spectrometry
Authors: Zhang Haoyue , Young Sarah P. , Millington David S. 
Published: March 2023

AbstractMucopolysaccharidoses (MPSs) are complex lysosomal storage disorders that result in the accumulation of glycosaminoglycans (GAGs) in urine, blood, and tissues. Lysosomal enzymes responsible for GAG degradation are defective in MPSs. GAGs including chondroitin sulfate (CS), dermatan sulfate (DS), heparan sulfate (HS), and keratan sulfate (KS) are disease‐specific biomarkers for MPSs. This article describes a stable isotope dilution‐tandem mass spectrometric method for quantifying CS, DS, and HS in urine samples. The GAGs are methanolyzed to uronic or iduronic acid‐N‐acetylhexosamine or iduronic acid‐N‐sulfo‐glucosamine dimers and mixed with internal standards derived from deuteriomethanolysis of GAG standards. Specific dimers derived from HS, DS, and CS are separated by ultra‐performance liquid chromatography (UPLC) and analyzed by electrospray ionization tandem mass spectrometry (MS/MS) using selected reaction monitoring for each targeted GAG product and its corresponding internal standard. This UPLC‐MS/MS GAG assay is useful for identifying patients with MPS types I, II, III, VI, and VII. © 2023 Wiley Periodicals LLC.Basic Protocol: Urinary GAG analysis by ESI‐MS/MSSupport Protocol 1: Prepare calibration samplesSupport Protocol 2: Preparation of stable isotope‐labeled internal standardsSupport Protocol 3: Preparation of quality controls for GAG analysis in urineSupport Protocol 4: Optimization of the methanolysis timeSupport Protocol 5: Measurement of the concentration of methanolic HCl
Elucidation of the relationship between masticatory muscle activity and masticatory movement. Report 1. Mechanism of occlusal force generation
Authors: Niwa Katsumi , Takahashi Nobuo 
Published: March 2023

AbstractObjectivesThe purpose of this study was to elucidate how masticatory muscles are involved in the generation of occlusal force.Materials and MethodsThe experiment was conducted by fabricating an experimental apparatus for a unilateral occlusion model with the masticatory muscles imparted. The experimental apparatus was fabricated by enlarging the lateral photograph of a dried adult skull specimen 3.5 times larger than that of a standard adult and drawing the outlines of the maxilla and mandible, canines and molars of the upper and lower jaws, and temporomandibular joint on a wooden board. The masticatory muscles used in the experiment were the masseter muscle, the temporalis muscle (anterior and posterior muscle bundles), and the lateral pterygoid muscle. For the measurement of the contractile force of the masticatory muscle, we used the spring scale. For the food, we used cut plastic cylinders.ResultsThe results of the experiment revealed the following: First, the occlusal force was generated under the condition that the contraction forces of all the masticatory muscles were balanced. Second, when the occlusal force was applied to food, the occlusal planes of the upper and lower jaws were parallel. Third, the occlusal force occurred perpendicular to the occlusal plane. Fourth, the occlusal force was generated with a force greater than the contraction force of the individual masticatory muscles. And finally, even if occlusal force was applied to the food, the occlusal force did not load the temporomandibular joint.ConclusionOcclusal force is not generated by the action of a single masticatory muscle but under the balanced contractile force of all masticatory muscles. The occlusal force then emerges with a force greater than the contraction force of all the masticatory muscles, and its direction occurs perpendicular to the occlusal plane.