bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bovine serum albumin functionalized blue emitting Ti3C2 MXene quantum dots as a sensitive fluorescence probe for Fe3+ ion detection and its toxicity analysis
Authors: Al‐Duais Mohammed Ali , Mohammedsaleh Zuhair M. , Al‐Shehri Hamza S. , Al‐Awthan Yahya S. , Bani‐Atta Suhair A. , Keshk Ali A. , Mustafa Syed Khalid , Althaqafy Adel D. , Al‐Tweher Jozaa N. , Al‐Aoh Hatem A. , Panneerselvam Chellasamy 
Published: February 2022

AbstractIn the present work, an improved class of protein functionalized fluorescent 2D Ti3C2 MXene quantum dots (MXene QDs) was prepared using a hydrothermal method. Exfoliated 2D Ti3C2 sheets were used as the starting precursor and transport protein bovine serum albumin (BSA) was used to functionalize the MXene QDs. BSA‐functionalized MXene QDs exhibited excellent photophysical property and stability at various physiological parameters. High‐resolution transmission electron microscopy analysis showed that the BSA@MXene QDs were quasispherical in shape with a size of ~2 nm. The fluorescence intensity of BSA@MXene QDs was selectively quenched in the presence of Fe3+ ions. The mechanism of fluorescence quenching was further substantiated using time‐resolved fluorescence and Stern–Volmer analysis. The sensing assay showed a linear response within the concentration range 0–150 μM of Fe3+ ions with excellent limit of detection. BSA@MXene QDs probe showed good selectivity toward ferric ions even in the presence of other potential interferences. The practical applicability of BSA@MXene QDs was further tested in real samples for Fe3+ ion quantification and the sensor had good recovery rates. The cytotoxicity studies of the BSA@MXene QDs toward the human glioblastoma cells revealed that BSA@MXene QDs are biocompatible at lower doses and showed significant cytotoxicity at higher dosages.
NMR Data‐Driven Docking of HDM2‐Inhibitor Complexes
Authors: Fradera Xavier , Reutershan Michael H. , Machacek Michelle R. , Trotter B. Wesley , McCoy Mark A. 
Published: February 2022

AbstractWe present an automated NMR‐guided docking workflow that can be used to generate models of protein‐ligand complexes based on data from NOE NMR experiments. The first step is to generate a number of intermolecular distance constraints from experimental NOE data. Then, the ligand is docked on an ensemble of receptor structures to account for protein flexibility, and multiple poses are generated. Finally, we use the NOE‐based constraints to filter and score docking poses based on the percentage of NOE constraints that are consistent with protein‐ligand interatomic distances. This workflow was successfully used during a lead optimization project to generate models of synthetic protein‐protein interaction (PPI) inhibitors bound to the HDM2 protein.
Synthetic Neoglycoconjugates of Hepta‐ and Nonamannoside Ligands for Eliciting Oligomannose‐Specific HIV‐1‐Neutralizing Antibodies
Authors: Cattin Matteo , Bruxelle Jean‐François , Ng Kurtis , Blaukopf Markus , Pantophlet Ralph , Kosma Paul 
Published: February 2022

AbstractOligomannose‐type glycans on the spike protein of HIV‐1 constitute relevant epitopes to elicit broadly neutralizing antibodies (bnAbs). Herein we describe an improved synthesis of α‐ and β‐linked hepta‐ and nonamannosyl ligands that were subsequently converted into BSA and CRM197 neoglycoconjugates. We assembled the ligands from anomeric 3‐azidopropyl spacer glycosides from select 3‐O‐protected thiocresyl mannoside donors. Chain extensions were achieved using [4+3] or [4+5] block synthesis of thiocresyl and trichloroacetimidate glycosyl donors. Subsequent global deprotection generated the 3‐aminopropyl oligosaccharide ligands. ELISA binding data obtained with the β‐anomeric hepta‐ and nonamannosyl conjugates with a selection of HIV‐1 bnAbs showed comparable binding of both mannosyl ligands by Fab fragments yet lesser binding of the nonasaccharide conjugate by the corresponding IgG antibodies. These results support previous observations that a complete Man9 structure might not be the preferred antigenic binding motif for some oligomannose‐specific antibodies, and have implications for glycoside designs to elicit oligomannose‐targeted HIV‐1‐neutralizing antibodies.
In‐situ Synthesis of the Thinnest In2Se3/In2S3/In2Se3 Sandwich‐Like Heterojunction for Photoelectrocatalytic Water Splitting
Authors: Jin Lin , Wu Yu , Zhang Huijuan , Wang Yu 
Published: February 2022

AbstractThe efficient utilization of solar energy for photoelectrocatalytic (PEC) water splitting is a feasible solution for developing clean energy and alleviating environmental issues. However, as the core of PEC technology, the existing photoanode catalysts have disadvantages such as poor photoelectrocatalytic conversion efficiency, low conductivity of photogenerated carriers, and instability. Here, we report the ultrathin two‐dimensional sandwich‐like (SW) heterojunction of In2Se3/In2S3/In2Se3 (SW In2S3@In2Se3) for the first time for PEC water splitting. Our findings identify the efficient separation of electrons and holes by constructing SW In2S3@In2Se3 heterojunction. The in situ synthesis of ultrathin nanosheet arrays by using surface substitution of Se atom to epitaxially grow cell In2Se3 maximizes the contact area of heterogeneous interface and accelerates the transmission of charge carrier. Benefitting from the unique structure and composition characteristic, SW In2S3@In2Se3 displays excellent performance in PEC water splitting. The photocurrent density of SW In2S3@In2Se3 reaches 8.43 mA cm−2 at 1.23 VRHE. Compared with In2S3, the SW In2S3@In2Se3 photoanode has nearly 12 times higher PEC performance, which represents the best performance among the In2S3‐based photoanode heterojunction reported so far. The evolution rate of O2 reaches 78.8 μmol cm−2 h−1, and the photocurrent has no apparent variety within 24 h.
Stereochemical Behavior of Pairs of P‐stereogenic Phosphanyl Groups at the Dimethylxanthene Backbone
Authors: Škoch Karel , Daniliuc Constantin G. , Müller Marcel , Grimme Stefan , Kehr Gerald , Erker Gerhard 
Published: February 2022

AbstractThe P‐stereogenic bis(phosphanes) 7 and 9, featuring pairs of P(Mes)‐ethynyl or vinyl substituents at the dimethyl xanthene backbone show rather low barriers of stereochemical inversion at phosphorus. π‐Conjugative effects are probably causing these low inversion barriers. Compound 7 reacted with B(C6F5)3 to form the nine‐membered heterocyclic product 10, featuring a [P]−C≡C−B(C6F5)3 substituent. Compound 7 was converted to the bis[P(Mes)vinyl] xanthene derivative 9, which gave the zwitterionic P(H)(Mes)−CH=CH−B(C6F5)3 containing product 16 upon treatment with B(C6F5)3. Thermally induced epimerization barriers at phosphorus of ca. 20 to 27 kcal mol−1 were calculated by DFT for the alkenyl‐ and alkynyl‐P derived systems 6 to 9, 15 and 16 and experimentally determined for the examples 7 and 16.
Retrospective survey for clinical course and aggravating factors of adolescent atopic dermatitis in two years' cohort study on first‐year university students
Authors: Nakano‐Tahara Mayuko , Matsumoto Mai , Yamauchi‐Takihara Keiko , Iso Hiroyasu , Katayama Ichiro , Murota Hiroyuki 
Published: February 2022

AbstractBackgroundRecent epidemiological studies have revealed increased numbers of adolescent subjects with atopic dermatitis, most of who experienced chronic symptoms since childhood. However, the complete clinical nature of atopic dermatitis in Japanese adolescents is poorly understood. We conducted this study to accumulate knowledge of factors contributing to protracted atopic dermatitis symptoms in adolescent subjects to avoid an unfavorable clinical outcome in these patients.MethodsOn 2013 and 2014, first‐year students at our university answered a retrospective self‐questionnaire about their demographic characteristics and past history of allergies. Answers from 6105 respondents were analyzed. Subjects with atopic dermatitis were divided into four groups according to their clinical courses, and factors potentially influencing their clinical courses were identified.ResultsNearly 16% of the students had a history of diagnosed atopic dermatitis, many of who had experienced symptoms since childhood (protracted course). Other respondents had experienced remission (32%), adolescent onset (14%), or recurrence (6%). Logistic regression analysis found that psychological stress and air dryness were apparent exacerbating factors that increased the risk of the protracted, recurrent, and adolescence courses. Furthermore, sleep loss, house dust, pollen, high temperature, and sweat were the aggravating factors associated with the protracted course alone.ConclusionsWe found that a high proportion of Japanese adolescent subjects with atopic dermatitis had experienced protracted symptoms and further identified factors that may have led to this unfavorable course. We expect that limiting these factors in this population might alleviate the subjects' chronic symptoms.
Water‐Soluble Well‐Defined Bifunctional Ferrocenyl Dendrimer with Anti‐Cancer Activity
Authors: Bertuzzi Diego L. , Braga Carolyne B. , Perli Gabriel , Ornelas Catia 
Published: February 2022

AbstractCombination of advantages of ferrocenyl compounds and multifunctional dendrimer scaffold afforded a water‐soluble well‐defined bifunctional dendrimer with polyamide backbone and thirty two termini: eighteen carboxylic acid groups and eighteen triazolylferrocenyl moieties. The structure of the new dendrimer was thoroughly characterized by nuclear magnetic resonance (NMR) spectroscopy, absorbance spectroscopy in the UV‐vis, and MALDI‐TOF mass spectrometry. The MALDI‐TOF spectrum of the final dendrimer showed the [M]2+ ion peak at 4820.1 m/z unambiguously confirming the successful synthesis of the water‐soluble well‐defined bifunctional dendrimer. The cytotoxicity of the well‐defined bifunctional triazolylferrocenyl dendrimer 4 was evaluated against MCF‐7 (breast adenocarcinoma), HeLa (cervical cancer), PC3 (prostate adenocarcinoma), Caco‐2 (colorectal cancer), and PNT2 (normal prostate cells) cell lines. The cytotoxicity assays showed that the dendrimer exhibits moderate anticancer activity and targets cancer cells selectively over normal cells.
Chemo‐Enzymatic One‐Pot Two‐Step Functionalization of 1,2,3,4‐Tetrahydroisoquinolines by Monoamine Oxidase‐Ugi‐Joullié Reaction Sequence
Authors: Barna Bence , Gáti Tamás , Kotschy András , Tasnádi Gábor 
Published: February 2022

AbstractA one‐pot two‐step chemo‐enzymatic approach for the functionalization of substituted 1,2,3,4‐tetrahydroisoquinolines (THIQs) was developed. The system combines monoamine oxidase (MAO)‐catalyzed imine formation with Ugi‐type three‐component reaction in an aqueous buffer without intermediate isolation. The two steps were separately optimized for buffer and pH to obtain the expected products. MAOs enabled the functionalization of fifteen THIQs by oxidation to imines, while the Ugi‐Joullié‐reaction was successfully carried out with eight carboxylic acids and eight isonitriles. 41 products were isolated giving access to valuable building blocks for medicinal chemistry applications. Gram‐scale transformation demonstrated the utility of the described protocol for organic synthesis.
Selection of natural biomaterials for micro‐tissue and organ‐on‐chip models
Authors: Cecen Berivan , Bal‐Ozturk Ayca , Yasayan Gokcen , Alarcin Emine , Kocak Polen , Tutar Rumeysa , Kozaci Leyla Didem , Shin Su Ryon , Miri Amir K. 
Published: February 2022

AbstractThe desired organ in micro‐tissue models of organ‐on‐a‐chip (OoC) devices dictates the optimum biomaterials, divided into natural and synthetic biomaterials. They can resemble biological tissues' biological functions and architectures by constructing bioactivity of macromolecules, cells, nanoparticles, and other biological agents. The inclusion of such components in OoCs allows them having biological processes, such as basic biorecognition, enzymatic cleavage, and regulated drug release. In this report, we review natural‐based biomaterials that are used in OoCs and their main characteristics. We address the preparation, modification, and characterization methods of natural‐based biomaterials and summarize recent reports on their applications in the design and fabrication of micro‐tissue models. This article will help bioengineers select the proper biomaterials based on developing new technologies to meet clinical expectations and improve patient outcomes fusing disease modeling.
Exploring civic behaviors amongst college students in a year of national unrest
Authors: Kornbluh Mariah , Davis Amanda L. , Hoyt Lindsay T. , Simpson Savannah B. , Cohen Alison K. , Ballard Parissa J. 
Published: February 2022

AbstractThis study examined the role of demographics, civic beliefs, and the impact of the COVID‐19 pandemic in association with distinct forms of civic participation. College students were recruited across 10 institutions of higher education to complete an online survey. Bivariate, multivariable linear, and logistic regressions were performed. Findings indicated that participants from traditionally marginalized backgrounds were more likely to engage in systemchallenging forms of civic participation and community engagement than those from more privileged backgrounds. Participants who rated high in critical reflection, viewed racism as a key issue, and were heavily impacted by the COVID‐19 pandemic were also more likely to engage in system‐challenging forms of civic participation. Participants who endorsed beliefs supporting current systems of power were more likely to report they intended to vote. Results highlight implications for antiracist activism, community engagement, and traditional political civic behaviors.
Broadband all‐metal Vivaldi antenna with Rexolite inserted slot edge
Authors: Ari Onur , Kizilay Ahmet 
Published: February 2022

AbstractIn this study, broadband, with a reconfigurable pattern, a slot edge all‐metal Vivaldi antenna (SEMVA) is proposed. The designed antenna is fabricated from an aluminum plate. Then the antenna is measured in an anechoic chamber using a spherical near field measurement system. In the first step, the metal Vivaldi antenna without slots is designed as a reference model. The scattering parameters and the radiation pattern results show that the antenna exhibits poor vswr and deteriorated radiation patterns at the lower operating band. In order to overcome these performance problems, the slot edge technique is successfully adapted to the metal Vivaldi antenna. This technique provides wider bandwidth with vswr <2 and a directive radiation pattern at lower operating frequencies. The dielectric material (Rexolite) can also be inserted into the slots of the designed antenna to improve bandwidth and beamwidth. The proposed antennas with and without dielectric insertion are measured and compared. The measurement results show that using slots increase the bandwidth of the designed antenna from 6:1 to 10:1. The proposed antenna operates between 1.38 and 13.8 GHz with a proper end‐fire radiation pattern. In addition, the power handling capacity of the SEMVA is calculated and compared with PCB antennas.
Impact of COVID‐19 on glycaemic control in a Spanish cohort of patients with type 2 diabetes
Authors: Enguix David Martín , Cambronero María Sánchez , Rodríguez Juan Carlos Aguirre , Rodríguez Abraham Hidalgo 
Published: February 2022

AbstractThe purpose of this study was to investigate the impact of COVID‐19 lockdown on monitoring and glycaemic control of people with type 2 diabetes (T2DM) in a Spanish population.This prospective cohort study focused on patients with T2DM from a Spanish cohort followed since 2017, with at least one HbA1c determination since the start of the pandemic.A total of 246 patients was included; 45.9% (113) had at least one HbA1c measurement during the pandemic and, in this case, we used the most recent one. The HbA1c mean value increased from 7.37% before the pandemic to 7.43% (p = 0.63). Those patients with previous HbA1c ≥ 8.5% were the ones whose glycaemic controlled worsened: uncontrolled patients increased from 10.5% to 28.6% (p < 0.05), relative risk 1.65.In conclusion, nine months after the pandemic start, less than a half of the T2DM patients in our Spanish cohort had at least one HbA1c measurement. Glycaemic control was similar when comparing before versus after the pandemic start, although those patients who were previously poorly controlled had a 1.65 higher risk of worsening their glycaemic control compared to the rest. Copyright © 2022 John Wiley & Sons.
A survey of reported changes in diet and activity with the FreeStyle Libre flash glucose monitor: a pilot study
Authors: Arnason Terra , Cameron Amanda , Nour Munier , Inman Mark , Mansell Kerry 
Published: February 2022

AbstractIntroduction: Flash glucose monitors (FGMs) are increasingly popular with people with diabetes. We aimed to see if the use of the FreeStyle Libre affected users’ behaviours regarding dietary choices and exercise.Methods: An online questionnaire was developed using Voxco Survey Platform 2018 and was completed between 18 May and 14 August 2018. The questionnaire consisted of yes/no and 6‐point Likert scale questions to assess the effects of FGM on diet and exercise patterns. Anyone with diabetes who had been using the FGM for at least four weeks prior to study commencement was eligible to participate.Results: Forty‐one participants completed the questionnaire; the majority were < 18 years old (29/41; 70.7%), and had type 1 diabetes (37/41; 90.2%). As a result of using the FGM, 58.6% (17/29) of paediatric participants indicated they noticed specific foods affected their blood glucose levels that they were not previously aware of, and 31.0% (9/29) indicated that they changed their carbohydrate choices to lower glycaemic index foods. In all, 72.4% (21/29) of paediatric participants indicated that they felt more confident in participating in exercise, 20.7% (6/29) indicated that they initiated new exercise, and 13.8% (4/29) indicated that they increased their amount of exercise as a result of using the FGM.Conclusions: In this study of primarily paediatric patients, some participants reported improved confidence to participate in exercise, as well as making positive dietary changes as a result of using the FGM. Further study is required to confirm if the FGM may have positive and sustained effects on these parameters. Copyright © 2022 John Wiley & Sons.
Patient risk factors for opioid‐related adverse drug events in hospitalized patients: A systematic review
Authors: Yiu Chin Hang , Vitharana Nilru , Gnjidic Danijela , Patanwala Asad E. , Fong Ian , Rimington Joanne , Begley David , Bugeja Bernadette , Penm Jonathan 
Published: February 2022

AbstractIntroductionOpioid utilization has increased fourfold over the past two decades among developed countries. Previous studies have found that opioid‐related adverse drug events (ORADEs) are strongly associated with adverse clinical outcomes in hospitalized patients. The Society of Hospital Medicine in the United States recently published a Consensus Statement regarding opioid safety and suggested that extra caution is needed when using opioids in patients with risk factors for ORADEs. This systematic review aimed to summarize common patient risk factors for ORADEs in hospitalized patients.MethodsFive databases were searched including Medline, Embase, Cochrane Central Register of Controlled Trials, International Pharmaceutical Abstracts, and Scopus. Search themes include opioids, adverse drug events, and acute care settings. Original full‐text studies that were published and identified patient risk factors for ORADEs in hospitalized patients were included.ResultsA total of 16 observational studies were included, with only two studies considered as poor quality. Seven studies focused on severe ORADEs including over‐sedation and respiratory depression. Common patient risk factors for severe ORADEs included comorbidities (eg, sleep apnea and renal diseases), concurrent use of sedatives, and prior opioid exposure. Nine studies focused on a combination of general ORADEs and common patient risk factors included advanced age, male gender, comorbidities (eg, chronic obstructive pulmonary disease and neurologic disorders), concurrent use of sedating medications, and prior opioid exposure.ConclusionsSuccessful identification of patient risk factors for ORADEs summarized by this systematic review could benefit clinicians when deciding on the appropriateness of opioid therapy in hospital patients. Future studies could focus on developing a validated risk assessment tool based on these risk factors.
Using professional development workshops to support school professionals' capacities to promote students' social, emotional, and behavioral health
Authors: Kaye Amy J. , Pejic Vanja , Moffa Kathryn , Jordan Molly , Dennery Kristine M. , DeMaso David R. 
Published: February 2022

AbstractThe objective of this study was to evaluate an innovative model for providing high quality professional development workshops (PDWs) in the context of a Learning Collaborative (LC) based intervention to build the capacities of school professionals to promote the social, emotional, and behavioral health of students. Eleven PDWs totaling 27.5 h were facilitated with 10 school‐based teams. Matched pre‐ and post‐surveys were completed by a total of 177 participants across the 10 teams. Results demonstrate significant increases in participants' self‐reported knowledge, skills, and self‐efficacy from pre‐ to post‐participation in each workshop, as well as high ratings of overall satisfaction. LC‐based PDWs, facilitated by school‐based behavioral health (BH) providers, hold promise for enhancing school professionals' capacities to address the critical social, emotional, and behavioral health needs of their students. Implications for administrators, school‐based BH providers, partnering community‐based agencies, and policymakers in sustainably replicating this promising, data‐driven model in schools are discussed.