bluuebunny/crossref_metadata_2025_split huggingface dataset:
Template‐Directed Synthesis of Bivalent, Broad‐Spectrum Hosts for Neuromuscular Blocking Agents**
Authors: Selinger Allison J. , Cavallin Natalie A. , Yanai Anat , Birol Inanc , Hof Fraser 
Published: December 2021

AbstractWe report on the synthesis of bivalent water‐soluble calix[4]arene and calix[5]arene hosts, Super‐sCx4 and Super‐sCx5 as new broad‐spectrum supramolecular binders of neuromuscular blocking agents (NMBAs). Synthesis was achieved using the target bisquaternary amine NMBAs as a template to link two highly anionic p‐sulfonatocalixarene building blocks in aqueous solution. Bivalent anionic hosts Super‐sCx4 and Super‐sCx5 bind by engaging both quaternary amines present on a variety of NMBAs. We report low μM binding to structurally diverse alkyl, steroidal, curarine and benzylisoquinoline NMBAs with high selectivity over the neurotransmitter acetylcholine and a variety of other hydrophobic amines.
Potent and Selective RIPK1 Inhibitors Targeting Dual‐Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis
Authors: Yang Xiangbo , Lu Huimin , Xie Hang , Zhang Binbin , Nie Tianqing , Fan Chen , Yang Tao , Xu Yechun , Su Haixia , Tang Wei , Zhou Bing 
Published: December 2021

AbstractSepsis, characterized with high risk of life‐threatening organ dysfunction, represents a major cause of health loss and the World Health Organization (WHO) labelled sepsis as the most urgent unmet medical need in 2017. The emerging biological understanding of the role of RIPK1 in sepsis has opened up an exciting opportunity to explore potent and selective RIPK1 inhibitors as an effective therapeutic strategy for SIRS and sepsis therapy. Herein, we have synthesized a class of highly potent dual‐mode RIPK1 inhibitors occupying both the allosteric and the ATP binding pockets, exemplified by compound 21 (ZB‐R‐55) which is about 10‐fold more potent than GSK2982772, and exhibits excellent kinase selectivity, good oral pharmacokinetics and good therapeutic effects in the LPS‐induced sepsis model, suggesting that compound ZB‐R‐55 is a highly promising preclinical candidate.
Rational Design of a Two‐Photon Fluorescent Probe for Human Cytochrome P450 3A and the Visualization of Mechanism‐Based Inactivation
Authors: Ning Jing , Tian Zhenhao , Wang Jiayue , Wang Bo , Tian Xiangge , Yu Zhenlong , Huo Xiaokui , Feng Lei , Cui Jingnan , James Tony D. , Ma Xiaochi 
Published: December 2021

AbstractMechanism‐based inactivation (MBI) can mediate adverse reactions and hepatotoxicity from drugs, which is a result of their conversion into highly reactive metabolites catalyzed by enzymes such as cytochrome P450 3A (CYP3A). In the present research, we optimized the key interaction domain of the fluorophore with the target protein to develop a two‐photon fluorescent probe for CYP3A that is involved in the metabolism of more than half of all clinical drugs. The developed BN‐1 probe exhibited appropriate selectivity and sensitivity for the semi‐quantitative detection and imaging of endogenous CYP3A activity in various living systems, thereby providing a high‐throughput screening system enabling evaluation of MBI‐associated hepatotoxicity by CYP3A. Using BN‐1 as a fluorescent molecular tool facilitates the efficient discovery and characterization of CYP3A‐induced MBI in natural systems.
Proximity Labeling Techniques: A Multi‐Omics Toolbox
Authors: Shkel Olha , Kharkivska Yevheniia , Kim Yun Kyung , Lee Jun‐Seok 
Published: December 2021

AbstractProximity labeling techniques are emerging high‐throughput methods for studying protein‐protein, protein‐RNA, and protein‐DNA interactions with temporal and spatial precision. Proximity labeling methods take advantage of enzymes that can covalently label biomolecules with reactive substrates. These labeled biomolecules can be identified using mass spectrometry or next‐generation sequencing. The main advantage of these methods is their ability to capture weak or transient interactions between biomolecules. Proximity labeling is indispensable for studying organelle interactomes. Additionally, it can be used to resolve spatial composition of macromolecular complexes. Many of these methods have only recently been introduced; nonetheless, they have already provided new and deep insights into the biological processes at the cellular, organ, and organism levels. In this paper, we review a broad range of proximity labeling techniques, their development, drawbacks and advantages, and implementations in recent studies.
Estimating photoevaporative mass loss of exoplanets with PLATYPOS
Authors: Ketzer Laura , Poppenhaeger Katja 
Published: December 2021

AbstractWe develop PLATYPOS (PLAneTarY PhOtoevaporation Simulator), a python code to perform planetary photoevaporative mass‐loss calculations for close‐in planets with hydrogen‐helium envelopes atop Earth‐like rocky cores. With physical and model parameters as input, PLATYPOS calculates the atmospheric mass loss and with it the radius evolution of a planet over time, taking into account also the thermal cooling and subsequent radius evolution of the planet. In particular, we implement different stellar activity evolution tracks over time. Our setup allows for a prediction of whether a planet can hold on to a significant fraction of its atmosphere, or fully evaporates, leaving behind only the bare rocky core. The user supplies information about the star–planet system of interest, which includes planetary and host star parameters, as well as the star's rotational and thus activity evolution. In addition, several details for the evaporative mass‐loss rate estimation can be chosen. This includes the effective absorption cross‐section for high energy photons, the evaporation efficiency, and the hydrodynamic escape model.
Electronic teaching resources for university cell biology supports improved student learning outcomes
Authors: Gobert Geoffrey N. 
Published: December 2021

AbstractAn optional electronic resource (e‐resource) that requiring subscription was offered to 2nd year students studying university cell biology. An online survey attitudes identified cost, the relative (lack) ease of use, and a “general preference”, as primary reasons for not utilizing the e‐resource. The ability to access graphics, videos, and animations, as well as practice questions, was all seen as positive features. Of the 44 e‐resource students, a performance increase of 10% (73%, and 63%, p‐value = 0.004) was seen compared to those that did not (90). Within the e‐resource cohort, academic performance in the previous year, when other online resources were not optional, less of a differentiation was apparent, suggesting difference were not attributable to individual academic aptitudes. Overall, an increase in academic performance was seen in students that used the optional e‐resource. These findings will be presented to assist new students in deciding how to approach their learning in cell biology.
Literacy and stigma of suicide in Bangladesh: Scales validation and status assessment among university students
Authors: Arafat S. M. Yasir , Hussain Fahad , Hossain Md. Faruk , Islam Md. Aminul , Menon Vikas 
Published: December 2021

AbstractBackgroundIncreased suicide literacy and reduced stigma toward suicide facilitate the care‐seeking for suicidal behavior. However, no attempt has been identified to determine these two vital aspects in Bangladesh.ObjectivesWe aimed to validate the literacy of suicide scale and stigma of suicide scale into Bangla along with the determination of the level of suicide literacy and stigma toward suicide.MethodsWe conducted this study between April and June 2021. Data were collected from medical school and university students by Google form. We used a questionnaire consisting of four segments (i.e., sociodemographic questionnaire, a questionnaire for suicidal behavior, Bangla literacy of suicide scale [LOSS‐B], and Bangla stigma of suicide scale [SOSS‐B]) for data collection. We tested the psychometric properties of the scales in a sample of 529 students and examined factors associated with suicide stigma and literacy.ResultsThe mean age of the students was 22.61 ± 1.68 (range 18–27) years, 274 (51.8%) were males, 476 (89.9%) were graduate students, and 490 (92.6%) were unmarried. The mean score of LOSS was 4.27 ± 1.99 ranging from 0 to 10. Factor analysis revealed acceptable psychometric properties of SOSS‐B. The literacy was significantly higher in females, students of medicine, having a family history of suicidal attempts, and a history of student nonfatal attempts, while stigma was significantly lower among the females and a history of past attempts.ConclusionsThis study revealed the level of literacy and stigma and culturally tested the psychometric properties of the LOSS‐B and SOSS‐B among university students in Bangladesh.
Blended learning model via small private online course improves active learning and academic performance of embryology
Authors: Guo Yuji , Liu Haihua , Hao Aijun , Liu Shangming , Zhang Xiaoli , Liu Huiqing 
Published: December 2021

AbstractWhile blended learning has been growing in popularity in recent years, the effectiveness of this procedure remains controversial. In this report, we assess the effectiveness of blended learning of embryology within international medical students. The participants were international medical students taking embryology in the Bachelor of Medicine and Bachelor of Surgery program. The blended learning group (BLG) consisted of students (n = 43) in the 2018–2019 academic year, taught with blended learning model via a customized small private online course (SPOC). The control traditional teaching group (TTG) consisted students (n = 48) in the 2017–2018 academic year, taught with traditional teaching model. Academic performance, including mean scores and passing ratios on the final exam of two groups were compared and analyzed with a t‐test. In addition, a questionnaire directed toward evaluating student's perceptions with the blended learning was administered to students in BLG. The majority of students in BLG actively participated in online self‐study activities and discussion in face‐to‐face class sessions. The mean score and passing ratio were significantly greater than those of students in TTG (p < 0.01). Results from the questionnaire revealed that the majority of BLG students felt that this method was beneficial for their learning of human embryology. The blended learning model, that integrates SPOC with face‐to‐face class lectures proved a more effective means for the teaching of embryology than the traditional lecture‐based teaching model. This blended learning method may serve as a feasible model that can be readily applied for use in other medical courses.
The prevalence of current smokers and alcohol drinkers among cancer survivors and subjects with no history of cancer among participants in a community‐based cardiometabolic screening program in Miyagi prefecture, Japan: a comparison with nationally representative surveys in other countries
Authors: Nishimoto Yuka , Tsubono Yoshitaka , Kogure Mana , Nakamura Tomohiro , Itabashi Fumi , Tsuchiya Naho , Nakaya Naoki , Tanno Kozo , Sugawara Junichi , Kuriyama Shinichi , Kure Shigeo , Tsuji Ichiro , Hozawa Atsushi 
Published: December 2021

AbstractBackgroundWe determined the prevalence of current cigarette smokers and alcohol drinkers among cancer survivors and subjects with no history of cancer in Japan and compared the findings with nationally representative studies in other countries.MethodsWe conducted a cross‐sectional study of baseline data from a prospective cohort study. A self‐administered questionnaire was surveyed during 2013–2015 with residents aged ≥20 years attending a community‐based cardiometabolic screening program in Miyagi prefecture in north‐eastern Japan. Subjects with past cancer histories were classified as cancer survivors. Sex‐specific, age‐standardized prevalence of current smokers, and drinkers were calculated. Age‐adjusted prevalence ratios (PRs: the cancer survivors’ rate divided by the rate of subjects with no history of cancer) and 95% confidence intervals (CIs) were estimated with log‐binomial regressions.Results36,786 subjects, including 2760 cancer survivors, responded and provided usable information (58.9% of recruited subjects). For men, the age‐standardized prevalence of current smokers and drinkers among survivors was 18.8% and 74.4%, respectively, with an age‐adjusted PR (95%CI) of 0.76 (0.66–0.86, p < 0.001) and 0.95 (0.91–0.98, p = 0.002), respectively. For women, the figures were 6.1%, 37.9%, 0.84 (0.67–1.06, p = 0.138) and 0.96 (0.90–1.03, p = 0.313), respectively. The U.S., the U.K, and Australian studies generally showed no substantially lower prevalence of current smokers or drinkers in survivors than in subjects with no history of cancer (PR ≥ 0.75), while Korean studies did (PR < 0.75).ConclusionsA considerable proportion of Japanese cancer survivors, especially men, remained currently smoking and drinking. Consistent with Western studies, the rates were not substantially lower than those among subjects with no history of cancer.
Utilizing ambulatory electrocardiogram monitoring to reduce conduction related death after transcatheter aortic valve replacement
Authors: Okoh Alexis K. , Chen Chunguang , Kassotis John , Soliman Fady , Patel Kush , Sohitliv Amy , Loi Amandeep , Smith Meghan , Pineda‐Salazar Jennifer , Chaudhary Ashok , Ghosh Bobby D. , Hakeem Abdul , Lee Leonard Y. , Coromilas James , Russo Mark J. 
Published: December 2021

AbstractObjectiveThe purpose of this study is to assess the utility of ambulatory cardiac monitoring (ACM) in detecting delayed advanced conduction abnormalities (DACA) and associated 30‐day mortality.BackgroundDACA are well‐known complications of TAVR and may be associated with post‐discharge mortality within 30‐days.MethodsBetween October 2019 and October 2020, TAVR patients who were discharged home without a permanent pacemaker (PPM) were monitored with an ACM device for 14‐days. The incidence of DACA at follow up, mortality and readmission within 30‐days were investigated. The risk of DACA was assessed in three patient categories based on a composite of their 12‐lead electrocardiogram (ECG) data. Group I: Normal pre‐TAVR, periprocedural, and discharge ECGs. Group II: Normal pre‐TAVR and abnormal subsequent ECGs. Group III. Abnormal baseline and abnormal subsequent ECGs.ResultsAmong 340 TAVR patients, 248 were discharged home with an ACM device. The overall incidence of DACA was 7% (n = 17), of whom 4% (n = 10) required a PPM. Mortality and readmission between discharge and 30 days was 0% and 8.3%, respectively. Stratification of patients identified 96 (38.7%) patients in Group I: 50 (20%) in Group II, and 102 (41%) in Group III. The incidence of DACA requiring a PPM was 0% in Group I, 4% (n = 2) in Group II, and 8.5% (n = 8) in Group III (p < 0.004).ConclusionsIn TAVR patients who were discharged home with ACM, none died between discharge and 30‐days. For those with normal baseline, perioperative and discharge ECG, there were no events of DACA at 14‐days.
New Palladium – ZrO2 Nano‐Architectures from Thermal Transformation of UiO‐66‐NH2 for Carbonylative Suzuki and Hydrogenation Reactions
Authors: Alsalahi Waleed , Augustyniak Adam W. , Tylus Włodzimierz , Trzeciak Anna M. 
Published: December 2021

AbstractThe new nanocomposites, Pd/C/ZrO2, PdO/ZrO2, and Pd/PdO/ZrO2, were prepared by thermal conversion of Pd@UiO‐66‐Zr−NH2 (MOF) in nitrogen or air atmosphere. The presence of Pd nanoparticles, uniformly distributed on the ZrO2 or C/ZrO2 matrix, was evidenced by transmission electron microscopy, scanning electron microscopy (SEM), Raman and X‐ray Photoelectron Spectroscopy (XPS) methods. All pyrolysed composites retained the shape of the MOF template. They catalyze carbonylative Suzuki coupling under 1 atm CO with an efficiency significantly higher than the original Pd@UiO‐66‐Zr−NH2. The most active PdO/ZrO2 composite, formed benzophenone with TOF up to 1600 h−1, while by using Pd@UiO‐66‐Zr−NH2, much lower TOF values, 51–95 h−1, were achieved. After the reaction, PdO/ZrO2 was recovered with the same composition and catalytic activity. Very good results were also obtained in the transfer hydrogenation of benzophenones to alcohols with Pd/C/ZrO2 and PdO/ZrO2 catalysts under microwave irradiation.
Toward data privacy preservation with ciphertext update and key rotation for IoT
Authors: Shen Shuaiyong , Yang Yang , Liu Ximeng 
Published: December 2021

AbstractFine‐grained access control become a research spotlight in the scenario of the smart home with Internet‐of‐Things (IoTs). However, most of the existing works could only realize ciphertext outsourcing with an unchangeable encryption key in the cloud. That is because the trivial solution needs great communication overhead. To overcome this challenge, we propose an updatable encryption based on SM9 (SM9‐UE) scheme for the IoT smart home scenario, where SM9 is an identity and cryptographic standard adopted by GM/T0044. SM9‐UE realizes secure and lightweight ciphertext updating through using the token generated by the data owner, which is information independent with the plaintext. We give the formal security definition and prove it to be adaptive update indistinguishability (IND‐UPD) secure. Theoretical comparison and analysis show that our scheme is efficient in computation and storage overhead. Experimental results also indicate that SM9‐UE can be practically applied to IoT smart home.
Trustful data trading through monetizing IoT data using BlockChain based review system
Authors: Abubaker Zain , Khan Asad Ullah , Almogren Ahmad , Abbas Shahid , Javaid Atia , Radwan Ayman , Javaid Nadeem 
Published: December 2021

AbstractIn this article, Internet of Things (IoTs) devices are used for sensing the data through which the device owners earn revenue. Interested users can purchase data from IoT device owners, according to their demands. However, users are not confident about the quality of data they are purchasing. Moreover, the users do not rely on the device owner and are not willing to initiate data trading. Currently, data trading systems have many drawbacks, as they involve a third party, security and reputation mechanisms. Therefore, in this article, IoTs and BlockChain (BC) are integrated to monetize IoT's data and provide trustful data trading. A BC based review system to monetize IoT's data trading is developed through Ethereum smart contracts. The review system encourages the owners to provide authentic data and solves the issues regarding data integrity, fake reviews and conflicts between entities. Reviews and ratings are stored in the BC database for providing a guarantee about the data quality to users. To maintain data integrity, we use an advanced encryption standard (AES)‐256 encryption technique to encrypt data. Moreover, an arbitrator entity is responsible to resolve conflicts between data owner and users. The incentive is provided to the users and arbitrators to increase user participation and honesty. Simulations are performed for the validation of our system. We examine the proposed model using three parameters: gas consumption, mining time and encryption time.
Oversample‐select‐tune: A machine learning pipeline for improving diabetes identification
Authors: Das Sujit Kumar , Roy Pinki , Mishra Arnab Kumar 
Published: December 2021

SummaryDiabetes is one of the most common chronic disease causes severe life threatening complications. Therefore, it is important to diagnose diabetes at early stage to avoid health and financial burdens. In this work, a machine learning (ML) pipeline based systematic data‐driven architecture is proposed to identify diabetes. The proposed ML pipeline consisted of support vector machine‐synthetic minority oversampling technique (SVM‐SMOTE), followed by multiple tree based feature selection (FS) approaches, and ensemble learners. Further, Bayesian optimization (BO) has been used to tune the hyperparameters in classifiers. The use of SVM‐SMOTE, FS, and BO methods together improved classifiers' performance impressively in a highly imbalanced Virginia dataset. Also, the proposed model is proved to be a useful approach in comparatively less imbalanced Pima Indian Diabetes (PID) dataset. Among all classifiers used, random forest (RFC) has achieved the highest sensitivity of 91.44% in PID dataset and in Virginia AdaBoost (ABC) has achieved the highest of 88.53% sensitivity. Subsequently, XGBoost (XGB) and AdaBoost (ABC) classifiers have achieved the highest 92.08% and 88.27% AUC in PID and Virginia dataset, respectively. Such kind of impressive results suggest that the proposed approach can have a very high practical utility, in real medical diagnostic settings.
Mathematical Model and Numerical Simulation of Conductometric Biosensor of Urea
Authors: Zouaoui Fares , Zine Nadia , Errachid Abdelhamid , Jaffrezic‐Renault Nicole 
Published: December 2021

AbstractIn this article, a mathematical model was developed to describe and optimize the configuration of the urea biosensor. The biosensor is based on interdigitated gold microelectrodes modified with a urease enzyme membrane. The model presented here focuses on the enzymatic reaction and/or diffusion phenomena that occur in the enzyme membrane and in the diffusion layer. Numerical resolution of differential equations was performed using the finite difference technique. The mathematical model was validated using experimental biosensor data. The responses of the biosensor to various conditions were simulated to guide experiments, improve analytical performance, and reduce development costs.
Autistic characteristics in eating disorders: Treatment adaptations and impact on clinical outcomes
Authors: Li Zhuo , Halls Daniel , Byford Sarah , Tchanturia Kate 
Published: December 2021

AbstractObjectiveAutistic people with eating disorders (EDs) may have special needs that are not met in standard ED treatment, raising the need for treatment adaptations to accommodate co‐existing autism spectrum condition (ASC). Little is currently known about the nature of existing treatment options or adaptations for this population. We conducted a pre‐registered systematic review to: (1) identify research articles describing existing interventions for patients with ED and comorbid ASC, and to critically review evidence of their clinical effectiveness and cost‐effectiveness (Review 1); (2) review the impact of ASC comorbidity on ED clinical outcomes (Review 2).MethodPeer‐reviewed studies published until the end of December 2020 were identified through a systematic search of the electronic databases: Medline, Embase, PsycINFO, Web of Science, CINAHL, Scopus and Cochrane Library.ResultsOnly one clinical pathway of treatment adaptations (the ‘PEACE’ pathway) was identified in Review 1 with early evidence of cost‐savings and favourable treatment outcomes. ASC characteristics were shown in Review 2 to have no direct impact on physical outcomes or ED symptoms, but could be associated with higher rates of comorbidities and greater use of intensive ED treatment. Additionally, patients with ASC characteristics may benefit more from individual sessions, rather than group sessions.ConclusionsAny new treatments or treatment adaptations may not directly impact on ED symptoms, but may be better able to support the complex needs of the ASC population, thus reducing subsequent need for intensive treatment. Future research is warranted to explore evidence of clinical and cost‐effectiveness of interventions for this population.