bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optimized Biocatalytic Synthesis of 2‐Selenopyrimidine Nucleosides by Transglycosylation**
Authors: Hellendahl Katja F. , Kaspar Felix , Zhou Xinrui , Yang Zhaoyi , Huang Zhen , Neubauer Peter , Kurreck Anke 
Published: February 2021

AbstractSelenium‐modified nucleosides are powerful tools to study the structure and function of nucleic acids and their protein interactions. The widespread application of 2‐selenopyrimidine nucleosides is currently limited by low yields in established synthetic routes. Herein, we describe the optimization of the synthesis of 2‐Se‐uridine and 2‐Se‐thymidine derivatives by thermostable nucleoside phosphorylases in transglycosylation reactions using natural uridine or thymidine as sugar donors. Reactions were performed at 60 or 80 °C and at pH 9 under hypoxic conditions to improve the solubility and stability of the 2‐Se‐nucleobases in aqueous media. To optimize the conversion, the reaction equilibria in analytical transglycosylation reactions were studied. The equilibrium constants of phosphorolysis of the 2‐Se‐pyrimidines were between 5 and 10, and therefore differ by an order of magnitude from the equilibrium constants of any other known case. Hence, the thermodynamic properties of the target nucleosides are inherently unfavorable, and this complicates their synthesis significantly. A tenfold excess of sugar donor was needed to achieve 40−48 % conversion to the target nucleoside. Scale‐up of the optimized conditions provided four Se‐containing nucleosides in 6–40 % isolated yield, which compares favorably to established chemical routes.
Another promising device for peripheral CTO's: But what about long‐term patency
Authors: Rodriguez‐Paz Enrique , Heuser Richard R. 
Published: February 2021

Key Points
The Wingman crossing catheter appears to be not only an effective device for peripheral CTO treatment but also safe.
Most peripheral CTO's can be crossed in the femoral popliteal region, infra‐popliteal CTO's are more challenging.
What about the long‐term results and how do we extrapolate this data to include longer SFA lesions.
Access site vascular complications in TAVR: Is this the right time?
Authors: Musumeci Giuseppe , Annibali Gianmarco 
Published: February 2021

Key Points
Transcatheter aortic valve replacement (TAVR) technique has now been approved across all surgical risk profiles of severe aortic stenosis.
Vascular complications at the large bore puncture site remain a major problem of TAVR.
A higher sheath to femoral artery ratio (SFAR) and multiple vessel entries are independent risk factors of access‐related vascular complications.
How often is urgent surgery required to address transcatheter mitral valve repair complications?
Authors: Postalian Alexander , Krajcer Zvonimir 
Published: February 2021

Key Points
TMVr use is likely to continue to grow as experience with the technology increases.
The authors found that surgical bailout for complications after TMVr is relatively infrequent (1.42%) and decreased during the study period.
Data such as those provided by this report are welcome, as they provide reassurance and assist our effort to make therapy options available to patients who need them.
Direct Proof of Volatile and Adsorbed Hydrocarbons on Solid Catalysts by Complementary NMR Methods
Authors: Lang Swen , Dyballa Michael , Traa Yvonne , Estes Deven , Klemm Elias , Hunger Michael 
Published: February 2021

AbstractIn this paper, both volatile and strongly adsorbed products of heavy hydrocarbon conversion on a zeolite were investigated by gas‐phase and solid‐state NMR. For this purpose, the reactions were carried out in sealed glass tubes under vacuum to collect the volatile reaction products. This procedure is demonstrated for pure 2‐ethylphenol conversion on ultra‐stabilized zeolite Y leading to both the formation of light alkanes and deoxygenation products. The above‐mentioned method is useful to improve the understanding of heavy hydrocarbon conversion under batch conditions.
Dual‐center experiences with interventional closure of patent foramen ovale: A medium‐term follow‐up study comparing two patient groups aged under and over 60 years
Authors: Nachoski Dejan , Schroeder Joerg , Almalla Mohammad , Kubini Ralf , Tchaikovski Vadim , Kosinski Christoph , Becker Michael , Aljalloud Ali 
Published: February 2021

AbstractBackgroundCurrent guidelines recommend interventional closure of patent foramen ovale (PFO) in patients with cryptogenic ischemic stroke who are under 60 years of age.HypothesisThe hypothesis of this study was to compare follow‐up results of PFO closure in patients over 60 years of age to those of patients under 60 years of age in order to determine whether the procedure is safe and effective for both age groups.MethodsWe included 293 patients who had a cryptogenic ischemic stroke and a PFO confirmed by transesophageal echocardiography (TEE) and who were scheduled for percutaneous closure of the PFO between 2014 and 2019. The device implantation was completed in all patients using an Amplatzer™, Occlutec™, or Cardia Ultrasept PFO occluder.ResultsFollow‐up TEE examinations were performed at intervals of 1, 3, and 6 months after implantation. Patients were followed for a median of 3.6 ± 1.2 years. Recurrent ischemic stroke or transient ischemic attack, cardiac death, arrhythmias, and residual shunt were reported equally in both groups.ConclusionsInterventional closure of PFO can be as safe and effective in patients over 60 years of age as it is in patients under 60 years of age regardless of the device used. In this older patient group, rigorous discussion and a case‐by‐case decision‐making process including cardiologists and neurologists is warranted to ensure optimal procedure selection.
A pilot study of the effect of a home‐based multimodal symptom‐management program in children and adolescents undergoing chemotherapy
Authors: Cheng Karis Kin‐Fong , Tan Laura Mei Lian 
Published: February 2021

AbstractBackgroundPrevalent symptoms that affect children and adolescents throughout the process of cancer diagnosis and treatment include nausea and vomiting, fatigue, pain, mucositis, and anxiety.AimTo examine the effect of a home‐based multimodal symptom‐management program for alleviation of nausea and vomiting, fatigue, pain, mucositis, and anxiety in children and adolescents undergoing chemotherapy for hematological malignancies or solid tumors.MethodsIn an exploratory pilot randomized study with qualitative interview, patients between 10 and 18 years of age were randomly assigned to either the symptom‐management program plus usual care (intervention group) or usual care (control group). The program consisted of multiple nonpharmacological interventional components. The targeted symptoms were measured at baseline (after diagnosis), at the first 2 weeks of each cycle of chemotherapy, and at 6 months after baseline, using the Memorial Symptom Assessment Scale 10‐18 and the State Anxiety Scale for Children.ResultsFifty children (31 boys; mean age, 13.7 years) were randomized either to the intervention group or the control group (25 each) and underwent baseline assessment. A comparison between the groups showed that the intervention group had a significant less fatigue over time (P < .05). However, no differences were found with respect to nausea and vomiting, pain, mucositis, and anxiety between groups. Both children and parents reported a positive experience with the symptom‐management program.ConclusionThe home‐based symptom‐management program may have helped to reduce fatigue in children and adolescents undergoing chemotherapy. In addition, qualitative data support the importance of improving children and parents' knowledge, coping skills, and psychological preparation for symptoms associated with chemotherapy.
Comparative Study of NO and CO Oxidation Reactions on Single‐Atom Catalysts Anchored Graphene‐like Monolayer
Authors: Tang Yanan , Chen Weiguang , Zhao Gao , Teng Da , Cui Yingqi , Li Zhaohan , Feng Zhen , Dai Xianqi 
Published: February 2021

AbstractNoble metal single‐atom catalysts (NM‐SACs) anchored at novel graphene‐like supports has attracted enormous interests. Gas sensitivity, catalytic activity, and d‐band centers of single NM (Pt and Pd) atoms at graphenylene (graphenylene‐NM) are investigated using first‐principle calculations. The adsorption geometries of gas reactants on graphenylene‐NM sheets are analyzed. It is found that the adsorption energies of reactant species on graphenylene‐Pt are larger than those on graphenylene‐Pd, because the d‐band center of the Pt atom is closeser to the Fermi level. The NO and CO oxidation reactions on graphenylene‐NM are investigated via four catalytic mechanisms, including Langmuir‐Hinshelwood (LH), Eley‐Rideal (ER), New ER (NER), and termolecular ER (TER). The results show that the NO and CO oxidations via LH and TER mechanisms can occur owing to the relatively small energy barriers. Moreover, the interaction of 2NO+2CO via ER mechanism is the energetically more favorable reaction. Although the NO oxidation via the NER mechanism has rather low energy barriers, the reaction is unlikely to occur due to the low adsorption energy of O2 compared with CO and NO. This research may provide guidance for exploring the catalytic performance of SACs on graphene‐like materials to remove toxic gas molecules.
Infrared and NMR Spectroscopic Fingerprints of the Asymmetric H7+O3 Complex in Solution
Authors: Kozari Eve , Sigalov Mark , Pines Dina , Fingerhut Benjamin P. , Pines Ehud 
Published: February 2021

AbstractInfrared (IR) absorption in the 1000–3700 cm−1 range and 1H NMR spectroscopy reveal the existence of an asymmetric protonated water trimer, H7+O3, in acetonitrile. The core H7+O3 motif persists in larger protonated water clusters in acetonitrile up to at least 8 water molecules. Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations reveal irreversible proton transport promoted by propagating the asymmetric H7+O3 structure in solution. The QM/MM calculations allow for the successful simulation of the measured IR absorption spectra of H7+O3 in the OH stretch region, which reaffirms the assignment of the H7+O3 spectra to a hybrid‐complex structure: a protonated water dimer strongly hydrogen‐bonded to a third water molecule with the proton exchanging between the two possible shared‐proton Zundel‐like centers. The H7+O3 structure lends itself to promoting irreversible proton transport in presence of even one additional water molecule. We demonstrate how continuously evolving H7+O3 structures may support proton transport within larger water solvates.
MXene‐Based Humidity‐Responsive Actuators: Preparation and Properties
Authors: Wang Jingfeng , Ma Haoxiang , Liu Yuyan , Xie Zhimin , Fan Zhimin 
Published: February 2021

AbstractWater is a significant and abundant resource as well as a pure natural energy source. Many researchers have been reported on humidity‐responsive actuators that mimick the humidity responsive behavior that widely exists in nature. Benefiting from advantages such as hydrophilicity, high electrical conductivity, and good dispersibility, MXenes (Ti3C2Tx) show promising performance when applied to humidity‐responsive actuators. This Minireview describes the preparation methods and structural characteristics of MXenes, and the mechanism of humidity‐responsive actuators. Recent important advances of MXene materials in actuators are objectively reviewed and evaluated, and existing issues are discussed. In addition, the development of these systems is outlined from the aspects of MXene preparation, structure control, design and assembly, and applications, and provides new ideas and guidance for the development of the next generation of high‐performance MXene‐based humidity‐responsive actuators.
Board gender diversity and corporate social responsibility assurance: The moderating effect of ownership concentration
Authors: Buertey Samuel 
Published: February 2021

AbstractThis paper investigates (a) the relationship between board gender diversity (FDoB) and the assurance of corporate social responsibility (CSR) reports, (b) and examines the moderation effect of ownership concentration on the FDoB and CSR assurance relationship. Logistic regression analysis is used to estimate the coefficients of the variables. The result shows a positive relationship between FDoB and the assurance of CSR reports, and that, consistent with critical mass theory, the relationship is greater for firms with two or more women on boards. Further analysis, however, shows that ownership concentration has an adverse effect on the FDoB and CSR assurance nexus. Practically, the study provides stakeholders the impetus to pursue reforms that advance board gender diversity among firms to promote corporate governance and accountability. Theoretically, it contributes to the literature on board gender diversity. It has also advanced the relevance of critical mass theory in the context of gender diversity in the boardroom.
Fe‐cation Doping in NiSe2 as an Effective Method of Electronic Structure Modulation towards High‐Performance Lithium‐Sulfur Batteries
Authors: Shi Liwei , Fang Hailiang , Yang Xiaoxia , Xue Jie , Li Caifeng , Hou Shifeng , Hu Cheng 
Published: February 2021

AbstractThe commercialization of Li−S batteries is hindered by the shuttling of lithium polysulfides (LiPSs), the sluggish sulfur redox kinetics as well as the low sulfur utilization during charge/discharge processes. Herein, a free‐standing cathode material was developed, based on Fe‐doped NiSe2 nanosheets grown on activated carbon cloth substrates (Fe‐NiSe2/ACC) for high‐performance Li−S batteries. Fe‐doping in NiSe2 plays a key role in the electronic structure modulation of NiSe2, enabling improved charge transfer with the adsorbed LiPSs molecules, stronger interactions with the active sulfur species and higher electrical conductivity. Effective promotion of the sulfur redox kinetics and enhanced sulfur utilization were achieved under high areal sulfur loadings. The stronger interactions with LiPSs together with the unique 3D structure of Fe‐NiSe2/ACC also induced the transformation of Li2S2/Li2S growth from conventional 2D films to 3D particles, significantly eliminating the barriers of solid nucleation and growth during the phase transition of liquid LiPSs to solid Li2S2/Li2S. With a high sulfur loading of 9.9 mg cm−2, the Fe‐NiSe2/ACC cathode enabled a high area capacity of 9.14 mAh cm−2 with a low average decay of 0.11 % per cycle over 200 cycles at 0.1 C.
Single bit line accessed high‐performance ultra‐low voltage operating 7T static random access memory cell with improved read stability
Authors: Rawat Bhawna , Mittal Poornima 
Published: February 2021

AbstractStatic random access memory (SRAM) bit cell is a prominent element for portable devices. The popularity of sleek designs and demand for longer battery life has driven memory cell into nanometer domain. This has also bolstered the need for low‐voltage devices. But reduction in operational voltage for cell is limited by process variation. In this work, a single bit line seven‐transistor (7T) SRAM bit cell is reported. The cell is designed for 32‐nm technology node and is functional at 300 mV. The reported cell maintains a 90‐mV hold and read static noise margins (SNMs), while the write margin is 190 mV. The pulse width needed to successfully write into the cell is 30 ns. The performance of proposed 7T cell is compared against different 6T, 7T, 8T, and 10T SRAM bit cells. The hold and read SNMs for proposed 7T are found to be 58.8%, better than single‐ended 6T cell, while the write ability is improved by 71.4%. The leakage current is observed to have decreased by a factor of 14 for Q = 0 (Q being the data storage node) and by factor of 28 for Q = 1, compared to 6T cell. Also, the area footprint of the proposed 7T SRAM cell is 0.442 μm2.
Moving academic conferences online: Understanding patterns of delegate engagement
Authors: Raby Cassandra L. , Madden Joah R. 
Published: February 2021

AbstractScientific conferences are a key component of academic communication and development. During the COVID‐19 pandemic, in‐person conferences are rapidly moving online, yet these virtual events may not provide the same opportunities as in‐person conferences. If virtual meetings are to continue to provide effective communication and networking between researchers and stakeholders, they must be adapted to increase delegate engagement and enthusiasm. Here, we present a case study of a recent medium‐sized online conference. We assessed the behavior and engagement of delegates with different components of the meeting using data from website analytics and postconference surveys. Behavior was variable across the available events; talks were particularly popular but engagement with social and networking opportunities was variable. Our conclusions have been summarized in six recommendations to support future online conference organizers in enhancing engagement with their events.
Use of sodium–glucose co‐transporter 2 inhibitors in patients with heart failure and type 2 diabetes mellitus: data from the Swedish Heart Failure Registry
Authors: Becher Peter M. , Schrage Benedikt , Ferrannini Giulia , Benson Lina , Butler Javed , Carrero Juan Jesus , Cosentino Francesco , Dahlström Ulf , Mellbin Linda , Rosano Giuseppe M.C. , Sinagra Gianfranco , Stolfo Davide , Lund Lars H. , Savarese Gianluigi 
Published: February 2021

AbstractAimsUse of sodium–glucose co‐transporter 2 inhibitors (SGLT2i) in real‐world heart failure (HF) is poorly characterised. In contemporary patients with HF and type 2 diabetes mellitus (T2DM) we assessed over time SGLT2i use, clinical characteristics and outcomes associated with SGLT2i use.Methods and resultsType 2 diabetes patients enrolled in the Swedish HF Registry between 2016–2018 were considered. We performed multivariable logistic regression models to assess the independent predictors of SGLT2i use and Cox regression models in a 1:3 propensity score‐matched cohort and relevant subgroups to investigate the association between SGLT2i use and outcomes. Of 6805 eligible HF patients with T2DM, 376 (5.5%) received SGLT2i, whose use increased over time with 12% of patients on treatment at the end of 2018. Independent predictors of SGLT2i use were younger age, HF specialty care, ischaemic heart disease, preserved kidney function, and absence of anaemia. Over a median follow‐up of 256 days, SGLT2i use was associated with a 30% lower risk of cardiovascular (CV) death/first HF hospitalisation (hazard ratio 0.70, 95% confidence interval 0.52–0.95), which was consistent regardless of ejection fraction, background metformin treatment and kidney function. SGLT2i use was also associated with a lower risk of all‐cause and CV death, HF and CV hospitalisation, and CV death/myocardial infarction/stroke.ConclusionIn a contemporary HF cohort with T2DM, SGLT2i use increased over time, was more common with specialist care, younger age, ischaemic heart disease, and preserved renal function, and was associated with lower mortality and morbidity.
Understanding the “Molten Salt” Synthesis of MAPbI3 – Characterization of New Lead(II)‐Ammine Complexes as Intermediates
Authors: Daub Michael , Hillebrecht Harald 
Published: February 2021

AbstractThe so‐called “molten salt process” is used to enhance the properties of perovskite‐based solar cells using CH3NH3PbI3 (MAPbI3) as an absorber. We have characterized intermediates of the reaction of CH3NH2 with both PbI2 and MAPbI3. The reaction of PbI2 or MAPbI3 in liquid CH3NH2 yields white [Pb(CH3NH2)6]I2 (cubic K2PtCl6 type), representing a typical coordination compound and the first homoleptic ammine Pb(II)‐complex. Reducing the CH3NH2 vapor pressure and/or increasing the temperature gives pale‐yellow platelets of the neutral complex Pb(CH3NH2)4I. The coordination of Pb2+ consists of four neutral CH3NH2 ligands and two iodide anions with quite different distances, so the complex could also be written as [Pb(CH3NH2)4I]+I−. Traces of humidity in the molten salt process result in the formation of Pb(OH)I and a new compound, namely (CH3NH3)5(CH3NH2)2Pb2I9 with isolated [Pb2I9]5− di‐octahedra. Charge compensation takes place by CH3NH3+ cations and novel dimers [CH3NH3⋅⋅⋅NH2CH3]+, where a cation and neutral molecule are connected via a N−H⋅⋅⋅N hydrogen bond.
Generalized Weisskopf‐Wigner model of triboelectroluminescence
Authors: Lew Yan Voon Lok C. , Hasbun Javier E. , Willatzen Morten , Wang Zhong L. 
Published: February 2021

AbstractThe phenomenon of triboelectroluminescence is studied using a generalization of the Weisskopf‐Wigner model of spontaneous emission in an electronic two‐level system. An irreversible and exponential transfer of charge results from the model. The charge transfer between two linear atomic chains is computed as a function of the separation of the two chains and as a function of the temperature. Triboelectroluminescence due to spontaneous emission is found to be more efficient when the electron states in the two materials have a larger energy separation and decays rapidly with separation. It is insensitive to temperature variation when the electrons emanate from insulators or surface states, but not when they emanate from partially‐filled bands due to the thermal excitation of the electrons.image
Formic acid synthesis and utilization for solar energy storage through solar‐driven chloralkali process and fuel cells
Authors: Mardini Nour , Bicer Yusuf 
Published: February 2021

AbstractThe objective of this work is to propose an integrated system for formic acid synthesis via photovoltaic (PV) assisted‐chloralkali process and clean power generation by the fuel cell. The initial step is to develop process flow diagrams and to apply heat integration techniques to conserve energy in the synthesis of formic acid and direct formic acid fuel cell (DFAFC). The proposed system forms formic acid from gaseous H2 produced from chloralkali unit and captured CO2. The electricity requirements of both PV‐assisted chloralkali and compression stages are supplied from the PV units. The results imply that the chloralkali process necessitates about 7.22 MW power to produce hydrogen at 25°C and 1 bar with an energy efficiency of 84%. H2 and CO2 gases are compressed to 60 bars with a total energy requirement of 951 kW. In the heat integration part, different scenarios are developed to determine the minimum heating and cooling requirements for maximum heat recovery. The results of such heat integration were achieved to conserve the energy in the formic acid process with total hot and cold utilities of 599 kW and 1884 kW, respectively.
Evaluation of olive oil effects on human stress response by measuring cerebral blood flow
Authors: Mitsukura Yasue , Sumali Brian , Nara Risa , Watanabe Kenichi , Inoue Masami , Ishida Ken , Nishiwaki Mika , Mimura Masaru 
Published: February 2021

AbstractIn this paper, we evaluated the effects of olive oil on human's stress level. In recent years, mental stress from harsh working environment have been causing serious problems to human health, both mentally and physically. Symptoms of stress may include feelings of worthlessness, agitation, anxiety, lethargy, insomnia, and behavioral changes. Additionally, the harsh working environments may cause the workers to adopt unhealthy dietary habits, contributing to the health issue. On the other hand, olive oil has been known to provide stress‐relieving effects both by ingestion and by inhaling the scent. Here, we examined the effects of extravirgin olive oil ingestion for mitigating stress from deskwork. Three best‐selling extravirgin olive oil in Japan were tested, and typing task was selected to emulate deskwork situation. Near‐infrared spectroscopy (NIRS) is utilized in this study to visualize the response in brain via cerebral blood flow analysis and to measure participants’ stress level. Statistical analysis showed that the stress levels were lower during the olive oil ingestion experiment compared to no‐oil experiment, even when measured one hour after the ingestion.