bluuebunny/crossref_metadata_2025_split huggingface dataset:
Key advances in biocatalytic phosphorylations in the last two decades: Biocatalytic syntheses in vitro and biotransformations in vivo (in humans)
Authors: Wohlgemuth Roland 
Published: November 2020

AbstractBiocatalytic phosphorylation reactions provide several benefits, such as more direct, milder, more selective, and shorter access routes to phosphorylated products. Favorable characteristics of biocatalytic methodologies represent advantages for in vitro as well as for in vivo phosphorylation reactions, leading to important advances in the science of synthesis towards bioactive phosphorylated compounds in various areas.The scope of this review covers key advances of biocatalytic phosphorylation reactions over the last two decades, for biocatalytic syntheses in vitro and for biotransformations in vivo (in humans). From the origins of probiotic life to in vitro synthetic applications and in vivo formation of bioactive pharmaceuticals, the common purpose is to outline the importance, relevance, and underlying connections of biocatalytic phosphorylations of small molecules. Asymmetric phosphorylations attracting increased attention are highlighted.Phosphohydrolases, phosphotransferases, phosphorylases, phosphomutases, and other enzymes involved in phosphorus chemistry provide powerful toolboxes for resource‐efficient and selective in vitro biocatalytic syntheses of phosphorylated metabolites, chiral building blocks, pharmaceuticals as well as in vivo enzymatic formation of biologically active forms of pharmaceuticals.Nature's large diversity of phosphoryl‐group‐transferring enzymes, advanced enzyme and reaction engineering toolboxes make biocatalytic asymmetric phosphorylations using enzymes a powerful and privileged phosphorylation methodology.
Why do child sexual abuse victims not tell anyone about their abuse? An exploration of factors that prevent and promote disclosure
Authors: Winters Georgia M. , Colombino Niki , Schaaf Sarah , Laake Anniken L. W. , Jeglic Elizabeth L. , Calkins Cynthia 
Published: November 2020

AbstractDisclosure rates of child sexual abuse (CSA) to both social supports and law enforcement are concerningly low, although more research is needed to understand factors that impact disclosure. Thus, the present study examined rates of informal (i.e., to a social support) and formal (i.e., to law enforcement) disclosure of CSA, as well as victims' self‐reported experiences with telling others about their own abuse and their perceptions of the overall advantages and disadvantages of disclosure. In all, 76 undergraduate women (who collectively experienced 105 instances of abuse) participated in a semi‐structured interview regarding their history of CSA. Results revealed that approximately 50% of cases involved the victim informally disclosing, and only 10% of cases being formally disclosed to authorities. The quantitative and qualitative data shed light on a number of factors that lead victims to not disclose, as well as the identification of factors that may promote a victim to share their abuse with others. The implications for improved prevention and responses to CSA disclosure are discussed.
Determining binding constants for 1:1 and 1:2 inclusion complexes of ester betulin derivatives with (2‐hydroxypropyl)‐β‐cyclodextrin by affinity capillary electrophoresis
Authors: Sursyakova Viktoria V. , Levdansky Vladimir A. , Rubaylo Anatoly I. 
Published: November 2020

AbstractThe complexation of ester betulin derivatives with (2‐hydroxypropyl)‐β‐cyclodextrin (HP‐β‐CD) was studied by mobility shift affinity CE. Electrophoretic mobility for triangular peaks was calculated using the parameter a1 of the Haarhoff–Van der Linde function instead of the peak top time. Dependences of the viscosity corrected electrophoretic mobility on HP‐β‐CD concentration were not described on the basis of only complexes with 1:1 stoichiometry due to the fact that these binding curves did not reach a plateau. However, the dependences were well described taking into account both 1:1 and 1:2 complexes. The presence of higher order equilibria was also revealed by x‐reciprocal plots. The values of apparent binding constant logarithm, obtained for the first time, for 1:1 and 1:2 HP‐β‐CD complexes of betulin 3,28‐diphthalate and betulin 3,28‐disuccinate with 95% confidence interval limits in brackets are the same within error and are equal to 4.85 (4.73–4.95), 8.56 (7.75–8.82), 4.92 (4.86–4.97), and 8.54 (8.23–8.72) at 25°C, respectively. These values for 1:1 and 1:2 HP‐β‐CD complexes of betulin 3,28‐disulfate at 25°C are 4.61 (4.57–4.64) and 7.11 (6.57–7.34), respectively. The binding constants for betulin 3,28‐disulfate agree with the previously obtained results from the separation in the thermostatted capillary segment.
Ranking populations in terms of inequality of health opportunity: A flexible latent type approach
Authors: Brunori Paolo , Trannoy Alain , Guidi Caterina Francesca 
Published: November 2020

AbstractWe offer a flexible latent type approach to rank populations according to unequal health opportunities. Building upon the latent‐class method, an approch increasingly adopted to estimate health inequalities, our contribution is to let the number of socioeconomic groups considered vary to obtain an opportunity‐inequality curve for a population that gives how the between‐type inequality varies with the number of types. A population A is said to have less inequality of opportunity than population B if its curve is statistically below that of population B. This version of the latent class approach allows for a robust ranking of 31 European countries regarding inequality of opportunity in health.
Mobile phone use and social interactions among caregivers can reduce their ability to provide constant supervision to children at Australian public swimming pools
Authors: Wickens Nicole , Wallace Ruth , Dare Julie , Costello Leesa , Lo Johnny , Nimmo Lauren 
Published: November 2020

AbstractIssue addressedCaregivers have a crucial role to play in keeping children safe at public swimming pool facilities, with the most common factor contributing to childhood drowning being a lapse in adult supervision.MethodsA mixed methods approach was used to collect observations (n = 301) and interviews (n = 10) with caregivers of children aged 0‐10 years at two public swimming pool facilities located in the Perth metropolitan area, Western Australia (WA).ResultsOf the 449 children observed, children aged 6‐10 years were significantly less likely to be provided with ideal supervision (26%) compared to younger children aged 0‐5 years (62%). Of the caregivers who were using their mobile phone while supervising children (n = 100, 22% of children observed), none provided ideal supervision. Overall supervision levels among caregivers differed with gender, with only 44% (n = 74) of female caregivers providing ideal supervision, compared to 72% (n = 96) of male caregivers. The 10 interviews revealed several themes, including the following: caregivers’ perceptions of their supervision responsibilities; barriers to supervision; and awareness and perceptions of a communications campaign designed by the Royal Life Saving WA Branch, known as Watch Around Water (WAW).ConclusionCaregiver supervision at public swimming pools remains an important issue, particularly the use of mobile phones and its deleterious impact on supervision. The WAW program plays an integral role in educating caregivers of supervision responsibilities. Furthermore, this study adds to the limited evaluation of the WAW program, and thus will help guide future improvements to ensure caregiver supervision is consistent.So what?Further research is needed to create strategies to reduce mobile phone use among caregivers, in order to provide safer swimming environments.
Venous thromboembolism risk and prophylaxis in hospitalized obstetric patients at a tertiary hospital in Accra, Ghana: A comparative cross‐sectional study
Authors: Sefogah Promise E. , Nuamah Mercy A. , Swarray‐Deen Alim , Mumuni Kareem , Onuzo Chibuikem N. , Seffah Joseph D. 
Published: November 2020

AbstractObjectiveTo determine the prevalence of venous thromboembolism risk and thromboprophylaxis among obstetric inpatients, comparing prenatal and postnatal women.MethodsWe assessed 546 obstetric inpatients at the Korle‐Bu Teaching Hospital for the prevalence study. Out of this number, 223 were recruited, comprising 111 prenatal and 112 postnatal mothers. A structured interviewer‐administered questionnaire was used to obtain data on participants’ venous thromboembolism risk, which was categorized into high, intermediate, and low using the Royal College of Obstetricians and Gynaecologists guidelines. Data on thromboprophylaxis were also obtained and analyzed. Values were considered statistically significant at p < 0.05.ResultsOverall venous thromboembolism risk among the study population was 82/223 (36.8%). All patients at high risk were prenatal, 59/112 (52.7%) of postnatal mothers were at intermediate risk, compared with 20/111 (18.0%) of prenatal women (p < 0.001). Prevalence of thromboprophylaxis was 5/82 (6.1%). All prenatal high‐risk patients received thromboprophylaxis, whereas only 2/20 (10.0%) of women with intermediate risk received thromboprophylaxis. The incidence of venous thromboembolism was 3/546 (0.6%) in the obstetric inpatients.ConclusionOur study found a high prevalence of venous thromboembolism risk among obstetric inpatients at the Korle‐Bu Teaching Hospital. However, thromboprophylaxis was low. Further research is needed to audit recent practice of thromboprophylaxis and perinatal outcome.
Human decellularized adipose matrix derived hydrogel assists mesenchymal stem cells delivery and accelerates chronic wound healing
Authors: Chen Zhaoyang , Zhang Bowen , Shu Jun , Wang Haiyang , Han Yudi , Zeng Quan , Chen Youbai , Xi Jiafei , Tao Ran , Pei Xuetao , Yue Wen , Han Yan 
Published: November 2020

AbstractBiological scaffolds based stem cell delivery methods have emerged as a promising approach for tissue repair and regeneration. Here we developed a hydrogel biological scaffold from human decellularized adipose matrix (hDAM) for human adipose‐derived stem cells (hASCs) delivery to accelerate chronic wound healing. The hDAM hydrogel was prepared by pepsin mediated digestion and pH controlled neutralization. The morphology, survival, proliferation, and angiogenic paracrine activity of hASCs cultured in the hydrogel were assessed. Moreover, the therapeutic efficacy of the hASCs‐hydrogel composite for impaired wound healing was evaluated by using a full‐thickness wound model on diabetic mouse. The developed hDAM hydrogel was a thermosensitive hydrogel, presented the biochemical complexity of native extracellular matrix and formed a porous nanofiber structure after gelation. The hydrogel can support hASCs adhesion, survival, and proliferation. Compared to standard culture condition, hASCs cultured in the hydrogel exhibited enhanced paracrine activity with increased secretion of hepatocyte growth factor. In the diabetic mice model with excisional full‐thickness skin wounds, mice treated with the hASCs‐hydrogel composite displayed accelerated wound closure and increased neovascularization. Our results suggested that the developed hDAM hydrogel can provide a favorable microenvironment for hASCs with augmented regeneration potential to accelerate chronic wound healing.
Recovery and recycling of solvent of counter‐current chromatography: The sample of isolation of zeaxanthin in the Lycium barbarum L. fruits
Authors: Duan Wen‐Da , Quan Kai‐Jun , Huang Xin‐Yi , Gong Yuan , Xiao Sun , Liu Jian‐Fei , Pei Dong , Di Duo‐Long 
Published: November 2020

AbstractAn efficient method of recovering and recycling solvent for counter‐current chromatography was established by which zeaxanthin was separated from Lycium barbarum L. fruits. A column with activated carbon combined with high performance counter‐current chromatography formed the recovering and recycling solvent system. Using the solvent system of n‐hexane–ethyl acetate–ethanol–water (8:2:7:3, v/v) from the references, five injections were performed with an almost unchanged purity of zeaxanthin (80.9, 81.2, 81.5, 81.3, and 80.2% respectively) in counter‐current chromatography separation. Meanwhile, the mobile phase reduced by half than conventional counter‐current chromatography. By this present method, an effective improvement of counter‐current chromatography solvent utilization was achieved.
Ethyl lactate: a sinister molecule exhibiting high chemical diversity with potential as a “green” solvent
Authors: Würmel Judith , Somers Kieran P. , Simmie John M. 
Published: November 2020

AbstractA comprehensive study of the properties and reactivity of ethyl(S)‐lactate has been conducted. The conformational landscape, the enthalpy of formation of the ground state, kJ mol−1, the thermochemistry (entropy, specific heat, enthalpy function), adiabatic ionization energy, and the single bond dissociation energies are also mapped out. Unimolecular elimination reactions leading to water and ethyl acrylate or ethene and lactic acid proceed with barriers in excess of 250 kJ mol−1—with the latter always dominant. The chemical kinetics of the abstraction of H‐atoms from primary, secondary, tertiary, and alcoholic sites by the radicals H• and are calculated as well as the kinetics of addition reactions to the carbonyl bond.
Mn2+‐Doped Metal Halide Perovskites: Structure, Photoluminescence, and Application
Authors: Su Binbin , Zhou Guojun , Huang Jinglong , Song Enhai , Nag Angshuman , Xia Zhiguo 
Published: November 2020

AbstractDoping impurity ions into semiconductor luminescent materials offers a unique pathway for inducing new emission centers and enabling photoluminescence (PL) tuning. Among various luminescence materials, doping Mn2+ into metal halide perovskites becomes a hot topic since Mn2+ ions demonstrate an energy transfer route from host to dopants, resulting in interesting photophysical properties. This review aims to discuss the PL properties of Mn2+ ions in halide perovskites nanocrystals or bulk crystals with different structural dimensions and local environments (MnX42– tetrahedron, MnX62– octahedron, or shortest Mn─Mn distance). In this regard, the effects of Mn2+ doping on the PL properties and their modifications are summarized. Variable ion exchange dynamics, increased emission intensity, and enhanced stability induced by Mn2+ doping are analyzed. These results also provide beneficial insights into applications of the doped luminescent halide perovskites. Finally, the present challenges in Mn2+‐doped luminescent halide perovskites are elaborated.
Targeting Mycobacterium Tuberculosis Enoyl‐Acyl Carrier Protein Reductase Using Computational Tools for Identification of Potential Inhibitor and their Biological Activity
Authors: Kuldeep Jitendra , Sharma Sandeep K. , Sharma Tanuj , Singh Bhupendra N. , Siddiqi Mohammad Imran 
Published: November 2020

AbstractEnoyl‐acyl carrier protein reductase (InhA) of type II fatty acid synthase system is involved in the synthesis of mycolic acids which is a major component of the bacterial cell wall. Since they are the key enzymes playing a very significant role in the FASII pathway of the bacterium. In this study, we have developed a workflow for identification of InhA inhibitors by utilizing in silico virtual screening approaches based on various machine learning algorithms followed by pharmacophore based virtual screening. The hits screened from the models were further subjected to molecular docking. Further, based on the XP docking score best twenty compounds were subjected to molecular dynamics study. Finally, nine compounds were shortlisted on the basis of best stable ligand RMSD, c‐alpha RMSD, and RMSF plot for biological evaluation studies. Experimental validation of the shortlisted compounds identified one compound JFD01724 having potent inhibitory activity and was able to inhibit the growth of mycobacterium tuberculosis. Further medicinal chemistry efforts may help to improve the inhibitory potency of the identified compound.
Compact microstrip bandpass filters using triple‐mode resonator with lumped elements
Authors: Chang Wei‐Chung , Tu Wen‐Hua 
Published: November 2020

AbstractCompact microstrip bandpass filters using triple‐mode resonator are investigated in this paper. At the center frequency of 2.45 GHz, a half‐wavelength microstrip open‐circuited resonator is loaded with a chip capacitor and a chip inductor to realize the triple‐mode resonator. By adjusting the resonator's parameters, the first three resonant mode frequencies could be tuned for bandpass filters with various fractional bandwidths. Three bandpass filters with different measured bandwidths (13.8%, 55.5%, 98.6%) are designed, fabricated, and tested to validate the design concept.
Combining T2 measurements and crusher gradients into a single ASL sequence for comparison of the measurement of water transport across the blood–brain barrier
Authors: Petitclerc Léonie , Schmid Sophie , Hirschler Lydiane , van Osch Matthias J. P. 
Published: November 2020

PurposeArterial spin labeling can be used to assess the transition time of water molecules across the blood–brain barrier when combined with sequence modules, which allow a separation of intravascular from tissue signal. The bipolar gradient technique measures the intravascular fraction by removing flowing spins. The T2‐relaxation‐under‐spin‐tagging (TRUST) technique modulates the TE to differentiate between intravascular and extravascular spins based on T2. These modules were combined into a single time‐encoded pseudo‐continuous arterial spin labeling sequence to compare their mechanisms of action as well as their assessment of water transition across the blood–brain barrier.MethodsThis protocol was acquired on a scanner with 9 healthy volunteers who provided written, informed consent. The sequence consisted of a Hadamard‐encoded pseudo‐continuous arterial spin labeling module, followed by the TRUST module (effective TEs of 0, 40, and 80 ms) and bipolar flow‐crushing gradients (2, 4, and ∞ cm/s). An additional experiment was performed with TRUST and a 3D gradient and spin‐echo readout.ResultsGradients imperfectly canceled the intravascular signal, as evidenced by the presence of residual signal in the arteries at early postlabeling delays as well as the underestimation of the intravascular fraction as compared with the TRUST method. The TRUST module allowed us to detect the transport of water deeper into the vascular tree through changes in T2 than the used crusher gradients could, with their limited b‐value.ConclusionOf the implemented techniques, TRUST allowed us to follow intravascular signal deeper into the vascular tree than the approach with (relatively weak) crusher gradients when quantifying the transport time of water across the blood–brain barrier.
An inverse procedure for identification of loads applied to a fractured component using a meshfree method
Authors: Liaghat Farshad , Khosravifard Amir , Hematiyan Mohammad Rahim , Rabczuk Timon 
Published: November 2020

AbstractAn efficient iterative inverse procedure is proposed for the identification of the distribution of loads that has led to a specific crack propagation path in a fractured component. This procedure determines the load applied to a part of the boundary based on the captured crack propagation path. The aim of this work, which is the first time to be presented, is important from the perspective of failure analysis, especially in the cases where it is not possible to directly measure the applied loading conditions. The inverse analysis requires the direct fracture mechanics problem to be solved for various boundary loading conditions. For each of the forward problems the meshfree radial point interpolation method, which is augmented with the background decomposition method for evaluation of domain integrals is employed. Using meshfree methods makes it possible to deal with the numerous direct problems, which appear in the formulation of the inverse problem, easily, accurately, and efficiently. The inverse problem of identification of the load distribution is formulated as an optimization problem. For solving the global minimization problem, a stochastic optimization method is used, in which the damped Gauss–Newton method is utilized as the local search algorithm. Through two example problems it is shown that the presented approach can be used effectively for the load identification of a component which has fractured along a specific path.
An Illustrative Case of Combination Cabozantinib/Nivolumab for Progressive Metastatic Renal Cell Carcinoma (mRCC)
Authors: Kao Chester , George Daniel J. , Zhang Tian 
Published: November 2020

Abstract

We report a case using combination cabozantinib plus nivolumab to salvage disease control in a patient with refractory metastatic renal cell carcinoma. The patient had previously experienced disease progression from high-dose interleukin-2, sunitinib, pazopanib, cabozantinib, and nivolumab, all given sequentially. Combination cabozantinib plus nivolumab resulted in 22 months of disease control. Vascular endothelial growth factor inhibitors including cabozantinib have immunomodulatory effects when combined with immune checkpoint inhibitors, with multiple ongoing phase III trials exploring the cabozantinib plus nivolumab combination in the first-line setting. To our knowledge, this is the first reported case of progression on nivolumab and cabozantinib when given as sequential monotherapies but stable disease on combination cabozantinib plus nivolumab.
No increase in psychosocial stress of Dutch children with cancer and their caregivers during the first months of the COVID‐19 pandemic
Authors: van Gorp Marloes , Maurice‐Stam Heleen , Teunissen Layla C. , van de Peppel – van der Meer Wietske , Huussen Maaike , Schouten‐van Meeteren Antoinette Y.N. , Grootenhuis Martha A. 
Published: November 2020

AbstractWe studied the psychosocial impact of the start of the COVID‐19 pandemic on Dutch children with cancer in outpatient care and their caregivers (n = 799) using regular monitoring and screening outcomes. No differences were observed between the pre‐COVID‐19 and early‐COVID‐19 periods in health‐related quality of life and fatigue of children. Fewer caregivers were distressed during the COVID‐19 period than pre‐COVID‐19. In conclusion, the additional stress of COVID‐19 did not deteriorate psychosocial functioning of children with cancer and their caregivers. Results may be explained by alleviating daily life changes, experience in coping with medical traumatic stress, and appropriate care and support.