bluuebunny/crossref_metadata_2025_split huggingface dataset:
The use of Endo barrier for prevention of COVID‐19 infection enables upper gastrointestinal endoscopy with high patient satisfaction in private clinic
Authors: Imagawa Atsushi , Kobara Hideki , Nishiyama Noriko , Masaki Tsutomu 
Published: January 2023

AbstractObjectivesIn the midst of the coronavirus disease 2019 (COVID‐19) infection pandemic, practitioners who perform endoscopic examinations need to prevent infections through procedures, along with routine medical care. By using continuous suction, Endo barrier is thought to be effective in preventing the spread of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) droplets and aerosols. The study aimed to evaluate patient discomfort and satisfaction with the use of the Endo barrier during esophagogastroduodenoscopy (EGD). The study evaluated the system's effectiveness as well as the system's preparation time and the amount of burden on the medical staff.MethodsEGD was performed on 788 consecutive cases using the Endo barrier. A questionnaire was used to survey patients after the procedure on four points: discomfort (feeling of pressure, breathlessness) and good points (feeling of relief and satisfaction) using a visual analog scale. In addition, patients were divided into two groups according to sedation status: with sedation (69.7%) and without sedation (30.3%), and their scores were compared. Additionally, the preparation time of the Endo barrier was measured.ResultsPatient discomfort was reported as minimal, resulting in a high level of satisfaction using this system. Although the overall results were better in the sedation group, the overall evaluation of the non‐sedated group was also favorable. Furthermore, preparation time (30 s) was less burdensome for medical staff.ConclusionThe Endo barrier is an easy‐to‐implement tool to prevent COVID‐19 infection in private clinics, and both patients and staff were highly satisfied with the device with or without the use of sedation during EGD.
Understanding the setback effect in everyday self‐regulation
Authors: ten Broeke Pam , Adriaanse Marieke A. 
Published: January 2023

AbstractPeople experience minor instances of self‐regulation failure, i.e., setbacks. While in itself trivial, a single setback may trigger a maladaptive chain of cognitions and emotions leading to more self‐regulation failure. In the present article, we investigated (a) whether the experience of a setback indeed increases the chance of subsequent failure, and (b) what psychological mechanisms underly this effect. We conducted three studies in the context of eating behaviour, exercising, and saving. At T1 we assessed participants intentions, self‐efficacy, and perceived usefulness to self‐regulate in response to a recent setback (versus an instance of self‐regulation success). At T2 we assessed subsequent self‐regulation failure and success using retrospective recall. Experiencing a setback increased the likelihood of subsequent failure and decreased the chances of subsequent success. Our results most consistently highlight a decrease in self‐efficacy as an underlying mechanism, and therefore as a promising target for interventions to prevent the setback effect from occurring.
Quorum Sensing from Two Engineers’ Perspectives
Authors: Stephens Kristina , Bentley William E. 
Published: January 2023

AbstractQuorum sensing, a bacterial process for coordinating community behavior, has inspired scientists to engineer cell‐cell communication for diverse applications. Fundamental knowledge of the molecular underpinnings of quorum sensing systems enabled engineers to rewire quorum sensing circuits in order to alter quorum sensing processes, program control of bacterial populations, and engineer cell‐cell communication. Further, scientific advancements from diverse engineering disciplines have contributed to the design of devices enabling new modes of manipulating or communicating with biological cells. This perspective reviews early and current developments in engineering cell‐cell communication and its applications. Influence of the quorum sensing field on the authors, both engineers, is briefly discussed.
Age‐dependent treatment effect of vocal fold steroid injection for benign vocal fold lesions
Authors: Nozawa Miki , Kanazawa Takeharu , Kurakami Kazuya , Kashima Kazutaka , Okui Ayako , Hasegawa Tomohiro , Hirosaki Mayu , Kamitomai Manami , Igarashi Takeshi , Ito Makoto , Watanabe Yusuke 
Published: January 2023

AbstractObjectiveBenign vocal fold lesions (BVFLs) cause voice disorders and impair social life. Recently, office‐based vocal fold steroid injection (VFSI) has gained attention as a minimally invasive treatment for BVFLs. This study aimed to analyze the age‐dependent treatment effect of VFSI and to clarify the indications for treatment.MethodsIn this retrospective cohort study, a total of 83 patients with BVFLs were treated with a similar regimen of VFSI. Three or four months after the injection, age‐dependent phonological functions were evaluated. The differences between pre‐ and post‐treatment findings were analyzed using the Wilcoxon matched‐pair signed‐rank test, and the correlation between patient age and improvement rates were determined by Pearson's correlation coefficient.ResultsImprovement in voice handicap index (VHI), which was the primary endpoint, was observed. Subjective and objective voice quality measurements also showed significant improvements. Subgroup analyses revealed that there was no age‐related difference in the improvement of voice quality and that there was no improvement in aerodynamic effect in patients over 45 years of age.ConclusionThis study clarified the age‐dependent treatment effect of VFSI and provided the important suggestion of establishing indication criteria for BVFLs. The study results provided clarity on the indication criteria of VFSI and served as an important indicator for tailoring treatment to patients' needs.Level of Evidence4
Monolithically Integrating III‐Nitride Quantum Structure for Full‐Spectrum White LED via Bandgap Engineering Heteroepitaxial Growth
Authors: Fan Benjie , Zhao Xiaoyu , Zhang Jingqiong , Sun Yuechang , Yang Hongzhi , Guo L. Jay , Zhou Shengjun 
Published: January 2023

AbstractGreat progress made by heteroepitaxial growth technology encourages rapid development of III‐nitride heteroepitaxial structures and their applications in extensive fields. Particularly, innate bandgap tunability of III‐nitride materials renders them attractive for white light‐emitting diodes (WLEDs) that are considered as next‐generation solid‐state lighting sources. However, commercial phosphor‐converted WLEDs suffer from poor color rendering index (CRI) and intense blue component, hard to fulfill demanding requirements simultaneously for energy efficiency and healthy lighting. Here, an efficient full‐spectrum WLED excited by monolithically integrated III‐nitride quantum structure is reported, in which trichromatic InGaN/GaN multiple quantum wells are constructed by bandgap engineering heteroepitaxy growth allowing flexible regulation of indium composition and quantum barrier thickness to manipulate carrier transport behavior. Furthermore, relationship between structural parameters and emission characteristics as well as their impact on white light performance is systematically demonstrated. Combined with commonly used green‐red phosphor mixture, the fabricated full‐spectrum warm/cold WLEDs can emit broadband and continuous spectra with low‐ratio blue component, first exhibiting superior CRI (> 97/98), color fidelity (97/97), saturation (100/99), and luminous efficacy (>120/140 lm W−1). This work demonstrates the advantages of bandgap‐engineered quantum structure applied in excitation source, and opens up new avenues for the exploration of high‐quality solid‐state lighting.
Investigation of the Second Harmonic Generation at the Water–Vacuum Interface by Using Multi‐Scale Modeling Methods
Authors: Ramos Tárcius N. , Champagne Benoît 
Published: January 2023

AbstractInvited for this month′s cover picture are Dr. Tárcius N. Ramos and Prof. Benoît Champagne at the University of Namur (Belgium). The cover picture shows the interfacial selectivity of second harmonic generation at the water‐vacuum interface, which is targeted in this work. In more details, the molecular first hyperpolarizability responses have been calculated by combining classical molecular dynamics and quantum chemistry simulations, and our model was able to distinguish between the bulk and the interfacial contributions. Read the full text of their Research Article at 10.1002/open.202200045.
Asserting integrity in Mexico's civic sector
Authors: Lean Sharon F. , Bitzarakis Evan 
Published: January 2023

AbstractIn societies where civic space is closing, integrity in the civic sector is critical for its sustainability. Where state regulatory frameworks are inadequate, or worse, manipulative, self‐regulation can help defend the sector's integrity and strengthen the ability of civic associations to serve the public and contribute to democracy. This paper describes the strategic role in self‐regulation of a particular type of third sector actor in Mexico, the coordinating body or civic network. A case study of the Mexican Center for Philanthropy (CEMEFI) and its Accreditation in Institutionalization and Transparency project illustrates the contribution of NGO networks in service to the sector, and their key role in diffusion of norms of transparency and accountability within the civic sector and beyond.
Metal‐Free Catalytic Functionalization of Second −Csp2−H Bond of 1‐Methyl Pyrrole Using Bishomocubane‐Derived Aminoborane Frustrated Lewis Pairs: A Computational Study
Authors: Patel Tulsi R. , Ganguly Bishwajit 
Published: January 2023

AbstractBishomocubane, as a molecular scaffold, has been designed to functionalize the −Csp2−H bond of 1‐methyl pyrrole. The newly designed molecular scaffold showed noteworthy improvements in the reaction energetics than the phenylene scaffold. The DFT (ωB97XD/6‐31+G(d,p)) calculations revealed that the dimethyl amine (A) and piperidine (B) analogues of bishomocubane frustrated Lewis pairs (FLP) can catalyze the first −Csp2−H functionalization much more easily than that of the phenylene FLP. The previous results showed that the second −Csp2−H functionalization was found to be energetically difficult. The DFT calculations suggest that the piperidine analogue of bishomocubane, 1‐Pip‐2‐BH2‐C10H10 (B), can lead the second −Csp2−H functionalization facile than the reported FLPs. The rate‐determining step of the second −Csp2−H functionalization is significantly lower with the catalyst (B) by ∼9.0 kcal/mol compared to the phenylene catalyst (II). The improved reactivity of bishomocubane FLPs has been examined with molecular electrostatic potential (MESP) analysis and the conceptual density functional theory (CDFT) calculations. The hyperconjugative stabilization interaction (n→σ*) and the strain relief between the Lewis pairs play a crucial role in the stability of rate‐determining transition states. This study reveals that saturated hydrocarbon scaffolds are promising candidates as FLP catalysts in such reactions.
Pyrolysis of Trifluoroacetic Acid and Trifluoroacetic Anhydride Studied with Mass Spectrometry and Synchrotron Radiation: Decomposition and Free Radical Formation
Authors: Cardona Alejandro L. , Salas Juana , Lesniak Lukas , Mommers A. A. , Mayer Paul M. , Burgos Paci Maxi A. 
Published: January 2023

AbstractThe remediation strategies for accumulated polyfluoroalkyl substances (PFAS) are a subject of great concern in environmental science. In this study, the thermal decomposition of trifluoroacetic acid (TFA) and trifluoroacetic anhydride (TFAN), taken as models of PFAS, were explored. Imaging photoelectron photoion coincidence (iPEPICO) spectroscopy was used to detect pyrolysis products from room temperature to 1000 °C under dilute conditions. The observed pyrolysis products of each molecule were CO, CO2, CF2, and CF2O (and CF3 for TFAN), with some species reflecting unimolecular rearrangement prior to dissociation. Electronic structure calculations using density functional theory and the SVECV‐F12 composite method were employed to evaluate the energy of the different decomposition channels. The results show the advantage of exploring the pyrolysis under dilute conditions to catch the first stages of unimolecular dissociation of these molecules for the first time.
Electrochemical Crystallization for Phosphate Recovery in the Form of Vivianite by a Two‐Chamber Electrolysis Cell Using Sacrificial Iron Anodes
Authors: Song Xingfu , Chen Tengshu , Xing Mengyao 
Published: January 2023

AbstractA sequencing batch two chamber electrolysis cell was set up to recover phosphate(P) from synthetic wastewater containing KH2PO4 with different gradients.In the cell, ferrous iron goes into the liquor from iron‐anode to precipitate soluble P and form vivianite.The two‐chamber electrolytic cell provides a suitable pH range for the formation of vivianite without adding acid and alkali, which saves costs and avoids waste of resources. After repeated experiments with different gradients, the minimum phosphorus(P) removal efficiency was stably achieved at 97.17 %. After long‐term operation, the P removal effect was not affected despite the fouling of the proton exchange membrane(PEM). Further analysis by XRD, FITR and SEM illustrated that the P recovery precipitated was vivianite.
Bacteria‐Assisted Synthesis of Fe‐Co‐Ni‐S/Hollow Carbon Spheres as High‐Performance Supercapacitor Electrode Materials
Authors: Sun Yue , Li Shiqi , Yang Xinran , Zhang Yutang , Liao Bangzheng , Zhu Chengxing , Yang Jiajun , Xu Bingrong , Cao Fu , Guo Xingmei , Zhang Junhao 
Published: January 2023

AbstractTransition metal sulfides (TMSs) as an important type of pseudocapacitive material face the problems of low conductivity and limited morphology, when applying as supercapacitor electrodes. To address the above issues, bacterium streptococcus thermophilus is chosen as template to synthesize Fe‐Co‐Ni‐S/hollow carbon submicron sphere (Fe‐Co‐Ni‐S/HCSS) composites. Benefiting from the active Fe‐Co‐Ni‐S providing multiple redox sites and hollow spherical carbon substrate ensuring fast electron/mass transport, the optimum composite delivers a high specific capacitance of 1029.5 F g−1 at 1 A g−1. When the current density increases to 10 A g−1, the capacitance is still up to 927.2 F g−1 and retains 88 % of the initial value after 3000 cycles, showing excellent rate capability and stability. This work provides a facile method to synthesize sulfide/carbon composites with elaborate microorganism morphologies for promoting supercapacitor performance. Considering the big structural diversity of bacteria, this method is extendable to other microstructures and compositions, which is of high value for developing advanced electrode materials in new energy fields.
Chemical Modification of Acidic Residues of Cytochrome c with Safranin: pH Effect on Structure and Function of the Modified Protein
Authors: Hashemnia Sedigheh , Karmand Zahra , Mokhtari Zaynab 
Published: January 2023

AbstractUtilizing cytochrome c (Cyt c), we studied the covalent attachment of safranin O to a protein could affect the protein properties. The effect of covalent attachment of safranin to Cyt c was explored using spectroscopic techniques, which revealed changes in the secondary and tertiary structure of the protein. Using Trp 59 fluorescence emission (λem=355 nm) and safranin fluorescence profile (λem=587 nm), we investigated the changes in the structure of the heme moiety and the binding of safranin molecules to the Cyt c protein. Far‐UV CD spectroscopy results showed that modification significantly reduced the α‐helix content. Studies showed that the modification causes the prevention of thermal aggregation of the protein at 65 °C and decreases in the peroxidase activity of the protein. Investigating of the pH effect revealed that although the Cyt c modification reduced peroxidase activity, the pH shift to pH 6.0 could increase the peroxidase activity.
Synthesis of N‐(2‐(tert‐Butylamino)‐2‐oxoethyl)‐2,2‐dichloro‐N‐aryl(alkyl)acetamides as Anticancer Agents: Molecular Modeling and Biological Evaluations
Authors: Zare Somayeh , Ramezani Zahra , Ghadiri Ata A. , Fereidoonnezhad Masood 
Published: January 2023

AbstractDichloroacetate (DCA) is considered as a highly bioavailable and small anticancer agent which reduces tumor growth through inhibition of pyruvate dehydrogenase kinases. Various DCA derivatives were designed, synthesized and eluated by FT‐IR, 1HNMR, 13CNMR and Mass spectrum. Biological evaluations of the synthesized compounds were evaluated against three human cancer cell lines, A549 (lung), MCF‐7 (breast), and MDA‐MB‐231 (breast), as well as a non‐tumorigenic breast cell line (MCF‐10A). Among synthesized compounds, N‐(2‐(tert‐butylamino)‐1‐(4‐nitrophenyl)‐2‐oxoethyl)‐2,2‐dichloro‐N‐(2‐fluorophenyl)acetamide (A5) had a promising cytotoxic effect with IC50 values of 11.94, 15.57, and 16.54 μM against MCF‐7, MDA‐MB‐231, and A549 cells, respectively. It can also induce apoptosis in MCF‐7 cell line. Molecular docking and molecular dynamic simulation studies were also carried out show binding sites and energies to the PDKs isoenzymes. All of the compounds demonstrated appropriate selectivity between cancerous and non‐cancerous cell lines. These results provide valuable insight for the additional development of novel dichloroacetate‐containing compounds.
A Planar‐Chiral Palladium Complex Derived from a Weak Oxygen Donor N,N‐Diisopropyl Ferrocenecarboxamide Ligand
Authors: Thorat Raviraj Ananda , Mandhar Yogesh , Parganiha Devendra , Patil Khushbu Bindesh , Singh Vikram , Shakir Batul , Raju Saravanan , Kumar Sangit 
Published: January 2023

AbstractThe reaction of chiral 2‐iodoferrocenecarboxamide, palladium(II) acetate, and triphenylphosphine ligand in acetonitrile has been resulted in the formation of an air‐stable chiral (Sp)‐2‐(N,N‐diisopropyl ferrocenecarboxamide) triphenylphosphine palladium(II) iodide complex. The isolated chiral palladium complex was thoroughly characterized by multi‐nuclear (1H, 13C, 31P) NMR, IR spectroscopy, mass spectrometry, polarimetry, CHN analysis, cyclic voltammetry and single crystal X‐ray crystallography (XRD). The single‐crystal XRD analysis reveals a square planar geometry around the palladium atom with a strong amide oxygen‐Pd bond [2.095(6) Å]. The palladium complex crystallized in the C2‐chiral space group having a Flack parameter value of 0.011(14), which is close to 0 and indicative of the enantiomeric purity of the palladium complex. The electrochemical study reveals a two‐electron redox couple due to the ferrocenyl Fe(II) atom and the palladacyclic Pd(II) center. In differential pulse voltammetry (DPV), two peaks were observed at 450 mV and 590 mV vs. Ag/AgCl. Further, the synthesized chiral palladacyle has also been explored in Suzuki‐Miyaura coupling reaction as a substrate and as a catalyst for Tsuji‐Trost coupling and phosphonation reactions.
Synthesis and Characterization of New o‐Carboranes‐Based Aggregation‐Induced Emission Molecules with Ultra‐Large Stokes Shift
Authors: Wang Li , Zhou Cheng‐Sheng , Dai Yu‐Han , Hou Yu‐Liang , Yan Jian‐Feng , Li Yuan‐Ming , Yuan Yao‐Feng 
Published: January 2023

AbstractFour o‐carborane‐based aggregation‐induced emission molecules with ultra‐large Stokes shifts were designed and synthesized. To explore the origin of the ultra‐large Stokes shifts (Δλ ≈ 268–294 nm) of the four target molecules, a new molecule named CZ‐Ph‐PO was synthesized by replacing the o‐carborane unit in CZ‐CB‐PO with a benzene ring. It was found that the ultra‐large Stokes shift was the result of the combined action of diphenylphosphinyl and o‐carborane, in which o‐carborane was the key group. In addition, combined with the single crystal structure analysis, the effect of halogens on molecular photophysical properties was investigated. Our work provides a reference for the design and synthesis of o‐carborane‐based fluorescent molecules with ultra‐large Stokes shifts.
Synthesis and Biological Evaluation of 3′,5′‐d2‐Cannabidiol
Authors: Jiang Fan , Wu Ping , Zhang Wei 
Published: January 2023

AbstractCannabidiol (CBD) is the primary active pharmacologic component in Cannabis sativa l., which is non‐psychoactive. CBD shows anti‐tumor, anti‐inflammatory, sedative and many other activities, thus demonstrating potential therapeutic utilities in neurodegenerative diseases, epilepsy, cancer and other diseases. There have been numerous pharmacokinetic studies of CBD, which indicate the main metabolic sites are 6‐ and 7‐position of monoterpene and alkyl chain of the olivetol. While only few studies are available for the metabolic sites of the benzene ring. In this paper, the aromatic hydrogen on the benzene ring was deuterated, and the antitumor activity, hERG potassium channel activity and liver microsome stability of 3′,5′‐d2‐cannabidiol (D2CBD) and CBD were compared. The results show that the antitumor activity and hERG potassium channel activity are slightly improved, whereas liver microsomes stability of D2CBD is not significantly improved.
Exploring the In‐Vitro Antibacterial Activity and Protein (Human Serum Albumin, Human Hemoglobin and Lysozyme) Interaction of Hexagonal Silver Nanoparticle Obtained from Wood Extract of Wild Cherry Shrub
Authors: Shahabadi Nahid , Zendehcheshm Saba , Mahdavi Mohammad 
Published: January 2023

AbstractHere, the silver nanoparticles were synthesized using aqueous wood extract of cerasus macrocarpa (wild Cherry) shrub. This green synthesis method was both eco‐friendly and straightforward. The nanoparticles were characterized using FT‐IR, zeta potential, ultraviolet‐visible, TEM, and SEM‐EDX analysis. Green synthesized AgNPs demonstrated effective antibacterial activity against gram‐positive and gram‐negative bacteria (S. aureus and E. coli). Furthermore, fluorometric, circular dichroism and UV‐vis were used to study the interaction of green synthesized AgNPs with Human serum albumin (HSA (, Human hemoglobin (HHb), and Lysozyme (Lys) in simulated physiological conditions. The studies of interaction with HSA, HHb and Lys show good binding affinity for green synthesized silver nanoparticles; the binding affinity was found in the order Lys>HSA>HHb at 298.15 K. The results show that the native conformation of HSA, HHb, and Lys was preserved at the secondary structure level, which is crucial in providing insights into the side effects of newly synthesized drugs on their carriers. The fluorescence data represented that green synthesized AgNPs quench the intrinsic fluorescence of proteins through a static quenching procedure.
A Strong Acid‐Induced DNA Hydrogel Based on pH‐Reconfigurable A‐Motif Duplex
Authors: Hu Yuwei , Ying Jackie Y. 
Published: January 2023

AbstractUnder a pH value lower than the pKa of adenine (3.5), adenine‐rich sequences (A‐strand) form a unique parallel A‐motif duplex due to the protonation of A‐strand. At a pH above 3.5, deprotonation of adenines leads to the dissolution of A‐motif duplex to A‐strand single coil. This pH‐reconfigurable A‐motif duplex has been developed as a novel pH‐responsive DNA hydrogel, termed A‐hydrogel. The hydrogel state is achieved at pH 1.2 by the A‐motif duplex bridging units, which are cross‐linked by both reverse Hoogsteen interaction and electrostatic attraction. Hydrogel‐to‐solution transition is triggered by pH 4.3 due to the deprotonation‐induced separation of A‐motif duplex. The A‐hydrogel system undergoes reversible hydrogel–solution transitions by subjecting the system to cyclic pH shifts between 1.2 and 4.3. An anti‐inflammatory medicine, sulfasalazine (SSZ), which intercalates into A‐motif duplex, is loaded into A‐hydrogel. Its pH‐controlled release from A‐hydrogel is successfully demonstrated. The strong acid‐induced A‐hydrogel may fill the gap that other mild acid‐responsive DNA hydrogels cannot do, such as protection of orally delivered drug in hostile stomach environment against strong acid (pH ~ 1.2) and digestive enzymes.