bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Role of the Transient Atropisomerism and Chirality of Flurbiprofen Unveiled by Laser‐Ablation Rotational Spectroscopy
Authors: Verde Andrés , López Juan Carlos , Blanco Susana 
Published: February 2023

AbstractThe combination of atropisomerism and chirality in flurbiprofen is shown to be relevant concerning its pharmacological activity. The two most stable conformers of a total of eight theoretically predicted for each R‐ or S‐ flurbiprofen enantiomers have been isolated in the cooling conditions of a supersonic jet and structurally characterized by laser ablation Fourier transform microwave spectroscopy. The detected conformers, whose structure is mainly defined by three dihedral angles, only differ in the sign of the phenyl torsion angle giving rise to Sa and Ra atropisomers. A comparison with the structures available for the R‐ and S‐ enantiomers complexed to COX isoforms reveals that the enzymes select only the Sa atropisomers, resulting in a diastereoisomer‐specific recognition. The most stable gas phase conformer is exclusively selected when using the S‐ enantiomer while the second is recognized only for the R‐ enantiomer. These experimental results highlight the importance of atropisomerism in drug design.
Electrochemical Rearrangement for Remote Functionalizations of Unactivated Alkenes
Authors: Wang Dingyi , Yuan Binbin , Xu Jiawei , Ackermann Lutz 
Published: February 2023

AbstractAn electrochemical strategy for the dual functionalizations of unactivated alkenes through an intramolecular migration process was realized in the absence of sacrificial chemical oxidants and noble‐metal catalysts under mild reaction conditions. The electrochemistry enabled a (hetero)aryl migration while providing access to alkenyl/alkynyl‐migration products. Thus, electricity was employed for the formation of functionalized fluoroalkyl radicals through activation of C−H/C−Br bonds from fluorinated esters. Thereby, we obtained a variety of di and mono‐fluorinated alkyl products with good functional group tolerance as well as chemo, and regioselectivities. Likewise, defluorinative allylation of α‐carbonyl alkyl bromides proved viable. The reaction mechanism was established by experiments and computations.
Multi‐task deep neural networks for just‐in‐time software defect prediction on mobile apps
Authors: Huang Qiguo , Li Zhengliang , Gu Qing 
Published: February 2023

SummaryWith the development of smartphones, mobile applications play an irreplaceable role in our daily life, which characteristics often commit code changes to meet new requirements. This characteristic can introduce defects into the software. To provide immediate feedback to developers, previous researchers began to focus on just‐in‐time (JIT) software defect prediction techniques. JIT defect prediction aims to determine whether code commits will introduce defects into the software. It contains two scenarios, within‐project JIT defect prediction and cross‐project JIT defect prediction. Regardless of whether within‐project JIT defect prediction or cross‐project JIT defect prediction all need to have enough labeled data (within‐project JIT defect prediction assumes that have plenty of labeled data from the same project, while cross‐project JIT defect prediction assumes that have sufficient labeled data from source projects). However, in practice, both the source and target projects may only have limited labeled data. We propose the MTL‐DNN method based on multi‐task learning to solve this question. This method contains the data preprocessing layer, input layer, shared layers, task‐specific layers, and output layer. Where the common features of multiple related tasks are learned by sharing layers, and the unique features of each task are learned by the task‐specific layers. For verifying the effectiveness of the MTL‐DNN approach, we evaluate our method on 15 Android mobile apps. The experimental results show that our method significantly outperforms the state‐of‐the‐art single‐task deep learning and classical machine learning methods. This result shows that the MTL‐DNN method can effectively solve the problem of insufficient labeled training data for source and target projects.
A systematic review on the effect of silver diamine fluoride for management of dental caries in permanent teeth
Authors: Mungur Alvin , Chen Haoran , Shahid Saroash , Baysan Aylin 
Published: February 2023

AbstractObjectivesThe objective of this review is to assess the available literature systematically related to the effect of silver diamine fluoride (SDF) for the management of occlusal and root carious lesions in permanent teeth regardless of age.Materials and MethodsThis systematic review was conducted according to the Cochrane Handbook for Systematic Reviews of Interventions and Preferred Reporting Items for Systematic Review and Meta‐Analyses statement. A literature search was performed using PubMed/MEDLINE, Cochrane Central Register of Controlled Trials, Web of Science, DOAJ, and Open Gray with no language restrictions up to December 2022. Three reviewers critically assessed the studies for eligibility. Any disputes between the reviewers were handled by a fourth independent reviewer. The quality assessment and data extraction of the studies were performed.ResultsA total of 2176 studies were screened. The titles and abstracts of the studies were then reviewed (n = 346), and 52 studies met the search criteria. Following the full‐text review, 11 studies investigated the effect of SDF against other treatments such as chlorhexidine, sodium fluoride, ammonium bifluoride, tricalcium silicate paste, casein phosphopeptide amorphous calcium phosphate, glass ionomer cement (GIC) combined with fluoride varnish, resin‐modified GIC, and atraumatic restorative treatment were assessed.ConclusionsWithin the limitations of this review, the use of SDF is promising with high preventative fractions in permanent teeth of children and older populations when compared to other topical applications such as dental varnish containing sodium fluoride.
Endoscopic sleeve gastroplasty using the novel single‐channel suturing device: A multicenter experience
Authors: Asokkumar Ravishankar , Ravi Rajesh , Taweerutchana Voraboot , Tan Yu Bin , Maipang Kotchakorn , Hong Lim Chin , Srisuworanan Nicha , Ching Lee Phong , Khor Christopher , Chang Jason , Pausawasdi Nonthalee 
Published: February 2023

AbstractBackground and aimEndoscopic sleeve gastroplasty (ESG) is an effective treatment for obesity. Recently, a novel single‐channel endoscopic suturing device has been made available to overcome the need for a double‐channel endoscope. However, there is limited evidence evaluating its utility for ESG. In this multicenter study, we aim to assess the efficacy and safety of the single‐channel suturing device for ESG.MethodsWe reviewed the records of 18 patients who underwent ESG using the novel device at the Singapore General Hospital, Singapore, and Siriraj Hospital, Bangkok, between 2020–2021. We adopted a “U” suture pattern. Our primary outcome was to assess technical feasibility and safety. The secondary outcome was to determine the percentage of total body weight loss at 1 year.ResultsThe mean ± SD age and body mass index were 42 ± 8.5 years and 34.9 ± 4.4 kg/m2, respectively. The majority were female (61%). ESG was technically successful in 94% (n = 17) of patients. Device dislodgement occurred in one patient. We used an average of five sutures (range, 4–8), and the mean ± SD procedure time was 96.5 ± 43.8 min. No complications occurred. The mean ± SD length of stay was 2.3 ± 1.5 days. The mean ± SD percentage of total body weight loss at 6 and 12 months were 16 ± 5.2% and 13.1 ± 5.8%, respectively. We found that >5%, >10%, and >15% total body weight loss was observed in 83.3%, 72.2%, and 56%, respectively.ConclusionESG using the single‐channel endoscopic suturing system is safe and effective for inducing weight loss at 1 year in patients with obesity.
Pathogenesis of melasma
Authors: Khanna Rayva , Nowah Abigail , Morris Desiree , Desai Seemal R. 
Published: February 2023

AbstractTo adequately guide future therapies, it is important to elucidate the pathogenesis of melasma. Chronic ultraviolet (UV) radiation exposure, hormonal stimulation, and genetic predisposition play a role in melasma. A widely accepted theory for the pathogenesis of melasma is the increase of melanin through UV, which leads to the upregulation of melanin stimulating receptors (MSR) such as melanocortin‐1 receptors (MC1R), resulting in increased hormone binding and melanin production. Furthermore, there are similarities between the histopathologic presentation of melasma and solar elastosis, a hallmark of photo‐aged skin. These overlaps include altered basement membrane, increased vascularization, and increased mast cell count. There is significant data showing greater degree of solar elastosis in the melasma skin compared to the perilesional skin. Additionally, an etiologic factor in the pathogenesis of melasma is hormonal exposure to estrogen. Melasma has increased prevalence among menstruating women, women on oral contraceptives, and pregnant women. In melasma lesions, studies have shown an increased number of estrogen receptors and progesterone receptors in the dermis and epidermis, respectively. Previously, increased melanogenesis was thought to be the sole contributing factor to the pathogenesis of melasma but more recently, aberrant vasodilation and angiogenesis have been found to play a role. Nitric oxide, a potent vasodilator, was found to be overexpressed at the dermal‐epidermal junction and was hypothesized to contribute to melasma through stimulation of tyrosinase and increasing vascularity. In conclusion, the various mechanisms implicated in melasma include melanocyte dysfunction, solar elastosis, mast cell dysfunction, hormonal influence, vascular transformation, and basement membrane damage.
Overlap syndrome of juvenile dermatomyositis with systemic lupus erythematosus: A rare case report of diagnostic perplex
Authors: Belgaumkar Vasudha A. , Raj Rachana , Pradhan Shekhar N. , Bhale Gauri 
Published: February 2023

AbstractIntroductionOverlap syndromes include a heterogenous group of conditions presenting with mixed features of more than one autoimmune disorder simultaneously in the same patient. Systemic lupus erythematosus (SLE) with myositis overlap is a rare scenario, particularly in the pediatric age group.Case DetailsWe describe an adolescent girl presented with photosensitivity, cutaneous ulcers, alopecia, periorbital edema, proximal muscle weakness, and digital gangrene. She was diagnosed as SLE‐juvenile dermatomyositis (DM) overlap based on overlapping clinical features, laboratory markers like anemia, significant proteinuria, hypocomplementemia, raised muscle enzymes, and positivity for antinuclear antibody, dsDNA, and anti‐Ro/anti‐SSA. Prompt treatment with combination of methylprednisolone‐cyclophosphamide pulse led to marked improvement.ConclusionOverlap syndromes are challenging in terms of diagnosis and management with unpredictable outcomes and unclear treatment guidelines.
Proteases and microwave treatment on the quality of chitin and chitosan produced from white shrimp (Penaeus vannamei)
Authors: Dong Qiqi , Qiu Weiqiang , Feng Yuhui , Jin Yingshan , Deng Shanggui , Tao Ningping , Jin Yinzhe 
Published: February 2023

AbstractThe aim of this study was to extract chitin and chitosan from shrimp shells by neutral protease‐assisted microwave multiple heating (one, two, three, and four) treatment. The structure and physicochemical properties of chitosan were characterized by scanning electron microscopy (SEM) and Fourier infrared spectroscopy (FTIR). The dielectric properties of chitosan acetate solution were determined by using a PNA‐L network analyzer, and the correlation between chitosan deacetylation degree and dielectric loss was further analyzed. The results show that the degree of deacetylation of chitosan increased from 84.9% to 90.8% with the increase in the number of microwave heating treatments. Furthermore, the chitosan prepared by multiple microwave heating was smoother. The dielectric constant of chitosan solution gradually decreases with the increase of frequency, and the dielectric loss first decreases and then increases. In addition, the dielectric loss of the chitosan solution increased with the degree of deacetylation of chitosan at 2450 MHz (R2 > 0.99). Therefore, enzyme‐assisted microwave extraction of chitosan can be used to obtain high‐quality chitosan under the condition of increasing the number of heating treatments.
Utility of fractional excretion of urea nitrogen in heart failure patients with chronic kidney disease
Authors: Watanabe Yukihiro , Kubota Yoshiaki , Nishino Takuya , Tara Shuhei , Kato Katsuhito , Hayashi Daisuke , Mozawa Kosuke , Matsuda Junya , Tokita Yukichi , Yasutake Masahiro , Asai Kuniya , Iwasaki Yu‐ki 
Published: February 2023

AbstractAimsMaintenance of euvolaemia with diuretics is critical in heart failure (HF) patients with chronic kidney disease (CKD); however, it is challenging because no reliable marker of volume status exists. Fractional excretion of urea nitrogen (FEUN) is a useful index of volume status in patients with renal failure. We aimed to examine whether FEUN is a surrogate marker of volume status for risk stratification in HF patients with CKD.Methods and resultsWe examined 516 HF patients with CKD (defined as discharge estimated glomerular filtration rate < 60 mL/min/1.73 m2) whose FEUN was measured at discharge (median age, 80 years; 58% male). The patients were divided into four groups according to quartile FEUN value at discharge: low‐FEUN, FEUN ≤ 32.1; medium‐FEUN, 32.1 < FEUN ≤ 38.0; high‐FEUN, 38.0 < FEUN ≤ 43.7; and extremely‐high‐FEUN, FEUN > 43.7. FEUN was calculated by the following formula: (urinary urea × serum creatinine) × 100/(serum urea × urinary creatinine). During the 3 year follow‐up, 131 HF readmissions occurred. Kaplan–Meier analysis showed that the HF readmission rate was significantly lower in the medium‐FEUN group than in the other three groups (log‐rank test, P = 0.029). Multivariate Cox regression analysis identified the low‐FEUN, high‐FEUN, and extremely‐high‐FEUN values as independent factors associated with post‐discharge HF readmission. In the analysis of 130 patients who underwent right heart catheterization during hospitalization, a significant correlation between FEUN value and right atrial pressure was observed (R = 0.243, P = 0.005). Multivariate linear regression analysis revealed that FEUN value at discharge decreased in a dose‐dependent manner with loop diuretics.ConclusionsIn HF patients with CKD, FEUN is a potential marker of volume status for risk stratification of post‐discharge HF readmission. Low FEUN value (FEUN ≤ 32.1) may represent intravascular dehydration, whereas high FEUN value (FEUN > 38.0) may represent residual congestion; both of them were independent risk factors for HF readmission. FEUN may be useful to determine euvolaemia and guide fluid management in HF patients with CKD.
Oxovanadium(V)‐Catalyzed Deoxygenative Coupling Reaction of Alcohols with Trimethylsilyl Enol Ethers in the Presence of MS3A
Authors: Matsutani Takanari , Sakuramoto Takashi , Okabayashi Kento , Tobisu Mamoru , Moriuchi Toshiyuki 
Published: February 2023

AbstractOxovanadium(V)‐catalyzed deoxygenative coupling reaction of allyl alcohols with trimethylsilyl enol ethers was demonstrated to afford γ,δ‐unsaturated carbonyl compounds in one‐step. The catalytic deoxygenative coupling reaction of allyl alcohols proceeded smoothly with both aromatic and aliphatic trimethylsilyl enol ethers. This catalytic deoxygenative coupling system could be applied to the deoxygenative coupling reaction of benzyl alcohols with trimethylsilyl enol ethers, providing the corresponding carbonyl compounds. Furthermore, a gram‐scale catalytic synthesis of the γ,δ‐unsaturated carbonyl compound was successfully performed to validate the scalability of this catalytic deoxygenative coupling reaction.
Synthesis, Structural Characterization, and Reductive Cleavage of an Oxygen‐Containing Naphthyl Macrocycle
Authors: Zhou Zheng , Pennachio Matthew , Wei Zheng , Heldner Maxi L. , Petrukhina Marina A. , Schaub Tobias A. 
Published: February 2023

AbstractA small macrocycle comprising ether‐bridged naphthyl units was prepared in a two‐step synthesis. Single‐crystal X‐ray diffraction of two polymorphs are reported, one of which showed multiple C−H⋅⋅⋅πnaphthyl interactions of a solvent molecule in the cavity of the macrocycle. Chemical reduction led to C−O bond cleavages accompanied by a Z/E isomerization. The resulting twofold negatively charged (E)‐1,2‐bis(2‐naphthyl)ethylene fragment was isolated as its potassium salts. Electronic characterization revealed a singlet ground state, and a marked distortion of the central ethylene unit was observed upon electron uptake.
Seismic displacement of earth slopes incorporating co‐seismic accumulation of dynamic pore water pressure
Authors: Ji Jian , Zhang Wenliang , Zhang Tong , Song Jian 
Published: February 2023

AbstractThe earthquake‐induced displacement of sloping soil mass is an important indicator of co‐seismic landslide initiation. In this paper, an improved Newmark displacement model that considers the accumulation of dynamic pore water pressure (DPWP) in the soil caused by both vertical and horizontal ground motions is proposed. The model can quantitatively describe the dynamic changes of the seismic yield acceleration of near‐saturated infinite soil slopes. Three different types of ground motion time histories are selected to compare the performance of the proposed Newmark displacement model, and the influence of DPWP accumulation on the slope yield acceleration and on the seismic displacement is obtained. The seismic slope displacement analyses indicate that the weakening effect of slope yield acceleration caused by bidirectional earthquake excitation‐induced DPWP is more obvious than when only considering the horizontal ground motion, when the slip surface soils are in near‐saturated state. The effect of initial saturation (Sr0) on the DPWP accumulation caused by vertical ground motion is also investigated. Furthermore, the accumulated seismic displacement can be reasonably explained by the frequency distribution characteristics of the ground motions. Finally, the numerical results of this paper show that the seismic displacement model seldomly considering the effect of DPWP, or only considering the DPWP induced by horizontal ground motion, can significantly underestimate the displacement value when the slip surface soils are in a near‐saturated state.
Effect of membrane deposition methods on the performance of membrane electrode assemblies
Authors: Xing Yijing , Liu Lei , Li Zhuoqun , Li Yifan , Fu Zhiyong , Li Haibin 
Published: February 2023

AbstractThe performance of proton exchange membrane fuel cells (PEMFCs) is closely related to the preparation process of the membrane electrode assemblies (MEAs). The direct membrane deposition approach can achieve excellent interfacial connection between functional layer, as well as simplifying the MEA manufacturing process. Nevertheless, it has been recognized that for this approach, the permeation of the electrolyte solution into the catalyst layer is a challenge, and it is associated with the deposition method. In this study, three MEAs are prepared by spraying, blade coating, and a combination of the two. The effect of the electrolyte solution deposition methods on the properties of the MEAs is analyzed. The MEA prepared using the combination of spraying and blade coating delivers the highest performance of up to 0.618 W cm−2 (80°C with H2/air conditions at normal pressure). In this method, the spraying layer can alleviate the negative effect of cracks on the gas diffusion electrode surface, and the blade‐coating layer can improve the membrane uniformity. The MEA prepared by this method exhibits excellent cell performance compared to the traditional catalyst coated membrane type MEA, particularly in low‐humidity conditions. This work provides guidance for the preparation of high‐performance MEAs for PEMFCs.
Assessing knowledge of sickle cell disease and health beliefs on premarital genetic screening among healthcare trainees at a tertiary institution: A cross‐sectional study
Authors: Agbozo William Kwaku , Amanor Ernest , Acheampong Eugene Owusu , Kotei Brenda , Attoh Leslie Nii , Yeboah David , Odonkor Prince , Obiri Seth , Kwarteng Alexander , Larbi Amma 
Published: February 2023

AbstractBackgroundThe uptake of sickle cell trait (SCT) test is challenged by several factors. A community of healthcare professionals educating the public to undergo screening is critical in reducing the disease burden. We investigated knowledge and attitude towards premarital SCT screening among healthcare trainee students who are the next generation of healthcare practitioners.MethodsA cross‐sectional design was employed, and quantitative data were collected from 451 female students pursuing healthcare programs at a tertiary institution in Ghana. Descriptive, bivariate, and multivariate logistic regression analysis was performed.ResultsMore than half of the participants were 20–24 years (54.55%) and had good knowledge (71.18%) about sickle cell disease (SCD). Age and school or social media as sources of information were significantly associated with good knowledge about SCD. Students between the age 20–24 (adjusted odds ratio [AOR] = 2.54, confidence interval [CI] = 1.30–4.97) and knowledge (AOR = 2.19, CI = 1.41–3.39) were 3 times and 2 times more likely to have a positive perception about SCD severity. Students who have SCT (AOR = 5.16, CI = 2.46–10.82), whose source of information was family member/friends (AOR = 2.83, CI = 1.44–5.59) and social media (AOR = 4.59, CI = 2.09–10.12) were 5 times, 2 times and 5 times likely to have a positive perception about the susceptibility of SCD. Students whose source of information is school (AOR = 2.06, CI = 1.11–3.81) and who have good knowledge of SCD (AOR = 2.25, CI = 1.44–3.52) were 2 times more likely to have a positive perception about the benefits of testing. Students with SCT (AOR = 2.64, CI = 1.36–5.13) and source of information was social media (AOR = 3.01, CI = 1.36–6.64) were about 3 times more likely to have a positive perception about the barriers to testing.ConclusionOur data shows that high level of SCD knowledge influences positive perceptions about the severity of SCD, the benefits and relatively low barriers to SCT or SCD testing and genetic counseling. Dissemination of SCT, SCD and premarital genetic counseling education should be intensified especially in schools.