bluuebunny/crossref_metadata_2025_split huggingface dataset:
Boric Acid‐Fueled ATP Synthesis by FoF1ATP Synthase Reconstituted in a Supramolecular Architecture
Authors: Xu Xia , Fei Jinbo , Xu Youqian , Li Guangle , Dong Weiguang , Xue Huimin , Li Junbai 
Published: December 2020

AbstractSignificant strides toward producing biochemical fuels have been achieved by mimicking natural oxidative and photosynthetic phosphorylation. Here, different from these strategies, we explore boric acid as a fuel for tuneable synthesis of energy‐storing molecules in a cell‐like supramolecular architecture. Specifically, a proton locked in boric acid is released in a modulated fashion by the choice of polyols. As a consequence, controlled proton gradients across the lipid membrane are established to drive ATP synthase embedded in the biomimetic architecture, which facilitates tuneable ATP production. This strategy paves a unique route to achieve highly efficient bioenergy conversion, holding broad applications in synthesis and devices that require biochemical fuels.
Handedness Inversion of Chiral 3‐Aminophenol Formaldehyde Resin Nanotubes Mediated by Metal Coordination
Authors: Zha Xinlin , Chen Yuanli , Fan Hui , Yang Yonggang , Xiong Yi , Xu Guilin , Yan Kun , Wang Yuedan , Xie Yi , Wang Dong 
Published: December 2020

AbstractPrecise adjustment of microstructure and handedness of chiral nanomaterials is important to regulate their properties and performance. Herein, helical 3‐aminophenol formaldehyde resin (APF) nanotubes and corresponding carbonaceous nanotubes with controllable handedness and optical activity were obtained via an external metal ion‐mediated supramolecular co‐templating method in an enantiomerically pure template system, in which an appropriate amount of Mn2+ (Co2+ or Ni2+) with moderate coordination abilities can reverse the spatial arrangement of the phenylglycine‐based amphiphilic template molecules through metal coordination. Different stacking modes of coordination complexes in disparate metal ion systems lead to diverse helical senses (diameter and pitch) of the obtained helical APF. In addition, this coordination mode of metal intervention can be applied to other amine‐based helical polymer synthesis systems, which paves the way for the design of high‐quality chiral nanomaterials with satisfactory physical parameters and properties.
Highly Enantioselective CuAAC of Functional Tertiary Alcohols Featuring an Ethynyl Group and Their Kinetic Resolution
Authors: Liao Kui , Gong Yi , Zhu Ren‐Yi , Wang Cai , Zhou Feng , Zhou Jian 
Published: December 2020

AbstractThe first highly enantioselective CuI‐catalyzed azide‐alkyne cycloaddition (CuAAC) of tertiary alcohols and their kinetic resolution is reported. This approach allows facile access to multifunctional tertiary alcohols featuring an α‐ethynyl or α‐triazole moiety, and represents the first successful kinetic resolution of racemates with a tetrasubstituted carbon stereocenter via CuAAC. Newly developed pyridinebisoxazoline (PYBOX) ligands with a C4 phosphonate group play a key role.
Synthesis and Properties of Higher Nuclearity Polyazanes
Authors: Criton Thomas , Vilona Debora , Jacob Guy , Médebielle Maurice , Dumont Elise , Joucla Lionel , Lacôte Emmanuel 
Published: December 2020

AbstractPolyazanes (i.e., higher nuclearity homologues of hydrazines) with increasing numbers of bound nitrogen atoms (from 3 to 5), including the first pentazane ever described, were prepared by the addition of lower‐order polyazanes to diazo reagents. A structure was obtained. It was shown that the polynitrogen chains adopt a helical conformation. DFT modeling shows that the arrangement persists in solution. Although the polyazanes are all reducing agents, they become less so as the number of nitrogens increases.
Carbon Dioxide Capture and Utilization with Isomeric Forms of Bis(amino)‐Tagged Zinc Bipyrazolate Metal–Organic Frameworks
Authors: Mercuri Giorgio , Moroni Marco , Domasevitch Kostiantyn V. , Di Nicola Corrado , Campitelli Patrizio , Pettinari Claudio , Giambastiani Giuliano , Galli Simona , Rossin Andrea 
Published: December 2020

AbstractAiming at extending the tagged zinc bipyrazolate metal–organic frameworks (MOFs) family, the ligand 3,3’‐diamino‐4,4’‐bipyrazole (3,3’‐H2L) has been synthesized in good yield. The reaction with zinc(II) acetate hydrate led to the related MOF Zn(3,3’‐L). The compound is isostructural with its mono(amino) analogue Zn(BPZNH2) and with Zn(3,5‐L), its isomeric parent built with 3,5‐diamino‐4,4’‐bipyrazole. The textural analysis has unveiled its micro‐/mesoporous nature, with a BET area of 463 m2 g−1. Its CO2 adsorption capacity (17.4 wt. % CO2 at pCO2 = 1 bar and T = 298 K) and isosteric heat of adsorption (Qst = 24.8 kJ mol−1) are comparable to that of Zn(3,5‐L). Both Zn(3,3’‐L) and Zn(3,5‐L) have been tested as heterogeneous catalysts in the reaction of CO2 with the epoxides epichlorohydrin and epibromohydrin to give the corresponding cyclic carbonates at T = 393 K and pCO2 = 5 bar under solvent‐ and co‐catalyst‐free conditions. In general, the conversions recorded are higher than those found for Zn(BPZNH2), proving that the insertion of an extra amino tag in the pores is beneficial for the epoxidation catalysis. The best catalytic match has been observed for the Zn(3,5‐L)/epichlorohydrin couple, with 64 % conversion and a TOF of 5.3 mmol(carbonate) (mmolZn)−1 h−1. To gain better insights on the MOF‐epoxide interaction, the crystal structure of the [epibromohydrin@Zn(3,3’‐L)] adduct has been solved, confirming the existence of Br⋅⋅⋅(H)−N non‐bonding interactions. To our knowledge, this study represents the first structural determination of a [epibromohydrin@MOF] adduct.
Konzepte und Nachhaltigkeitsbewertung der Kohlenstoffkreislaufwirtschaft am Beispiel des chemischen Recyclings zur Olefinproduktion
Authors: Seidl Ludwig Georg , Poganietz Witold‐Roger , Keller Florian , Lee Roh Pin , Grunwald Armin , Meyer Bernd 
Published: December 2020

AbstractAm Beispiel erdölbasierter Olefinproduktion wird die Transformation der linearen Kohlenstoffwirtschaft zur Kohlenstoffkreislaufwirtschaft mit chemischem Recycling von Kunststoffabfällen und Kreislaufführung heimischer Kohlenstoffquellen untersucht. Die Szenarienbetrachtung mit Nachhaltigkeitsbewertung zeigt das Potential des chemischen Recyclings zur Deckung der Olefinproduktion in Deutschland. Im Zeithorizont bis 2050 könnte die gesamte Olefinproduktion unter Einkopplung von grünem e‐Wasserstoff mit bisher verbrannten, nichtfossilen Abfällen realisiert werden.
Monoterpenoid Indole Alkaloids with Promoting Neurite Growth from Tabernaemontana divaricata
Authors: Deng Yan , Yu Yang , Shi Bao‐Bao , Bao Mei‐Fen , Zhao Si‐Meng , Cai Xiang‐Hai 
Published: December 2020

Main observation and conclusionPhytochemical investigations on Tabernaemontana divaricata led to the isolation of seven undescribed monoterpenoid indole alkaloids, taberdicatines A—G (1—7). Taberdicatines A—C might be derived from Aspidosperma‐type alkaloid, less skeletal carbons in 1—2 and an additional carbon in 3. Taberdicatines D—E (4—5) were attributed to Iboga alkaloids with enantiomeric skeleton, respectively. Alkaloid 3 could promote the neurite growth of mouse primary cortical neurons at the concentration of 5 μmol/L.
Quantitative assessment of p16 expression in FNA specimens from head and neck squamous cell carcinoma and correlation with HPV status
Authors: Abi‐Raad Rita , Prasad Manju L. , Gilani Syed , Garritano James , Barlow Deborah , Cai Guoping , Adeniran Adebowale J. 
Published: December 2020

BackgroundThis study investigated p16 by immunohistochemistry (IHC) on cellblocks (CBs) and human papillomavirus (HPV) by polymerase chain reaction (PCR) in fine‐needle aspiration (FNA) of head and neck squamous cell carcinoma (HNSCC).MethodsReceiver operating characteristic (ROC) curve analysis was used to assess test performance in CBs compared with p16 IHC in 42 surgical specimens from patients with HNSCC and in correlation with HPV by PCR in cytology specimens. The study assessed HPV by PCR in FNA specimens as a substitute for p16 IHC in surgical specimens.ResultsOf 42 cases, 38 CBs showed malignant cells as cohesive clusters of viable cells with or without single tumor cells, whereas 4 specimens were composed exclusively of single tumor cells and degenerated cells. All p16‐negative surgical specimens showed an absence of p16 staining in the corresponding CBs (n = 16). In the p16‐positive surgical cases (n = 26), corresponding CBs with tumor clusters (n = 23) showed heterogeneous p16 expression ranging from 40% to 100%; however, scoring single cells was challenging and unreliable because of cellular degradation. ROC curve inspection showed the optimal threshold to be at least 40% p16 staining in tumor clusters with 100% sensitivity and specificity. In cases with inadequate CBs, HPV by PCR on needle rinse showed 88% sensitivity and 100% specificity for p16 expression in surgical specimens.ConclusionsA cutoff of at least 40% p16 expression in tumor clusters may be appropriate for p16 positivity in cytology CB specimens. A positive HPV finding by PCR on needle rinse can be used as a substitute for p16 expression in surgical specimens.
A comprehensive review of modern trends in optimization techniques applied to hybrid microgrid systems
Authors: Arfeen Zeeshan Ahmad , Sheikh Usman Ullah , Azam Mehreen Kausar , Hassan Rabia , Faisal Shehzad Hafiz Muhammad , Ashraf Shahzad , Abdullah Md Pauzi , Aziz Lubna 
Published: December 2020

AbstractMicrogrids have drawn substantial consideration due to high quality and reliable mix sources of electricity. This paper articulates the implication of innovative algorithms for cognitive microgrid. It perceived the algorithms that are backed by artificial intelligence (AI) are quite efficient due to the precision, convergence speed, and less computation time as compared to the conventional heuristic methods. Solar PV/Battery grid‐connected MG is modeled to achieve optimum size, supreme power quality, reduced fluctuations in voltage and frequency, reduced settling time, eliminate short transient currents, seamless power, least annual cost and high reliability as an objective function under wavering weather condition and dynamic load changes. Four broad categorizations of metaheuristic algorithms, that is, evolutionary, swarm intelligence, physics, and human intelligence‐based algorithms are well elaborated in this study. The optimal solution to the fitness function by using a hybrid optimization method also directed in the study. This paper gives deep insight to readers working in the area.
The SAGE study: Global observational analysis of glycaemic control, hypoglycaemia and diabetes management in T1DM
Authors: Renard Eric , Ikegami Hiroshi , Daher Vianna André Gustavo , Pozzilli Paolo , Brette Sandrine , Bosnyak Zsolt , Lauand Felipe , Peters Anne , Pilorget Valerie , Jurišić‐Eržen Dubravka , Kesavadev Jothydev , Seufert Jochen , Wilmot Emma G. 
Published: December 2020

AbstractAimsTo describe glycaemic control and diabetes management in adults with type 1 diabetes (T1DM), in a real‐life global setting.Materials and MethodsStudy of Adults' GlycEmia (SAGE) was a multinational, multicentre, single visit, noninterventional, cross‐sectional study in adult patients with T1DM. Data were collected at a single visit, analysed according to predefined age groups (26–44, 45–64 and ≥65 years) and reported across different regions. The primary endpoint was the proportion of participants achieving HbA1c less than 7.0 % in each age group. Secondary endpoints included incidence of hypoglycaemia, severe hypoglycaemia and severe hyperglycaemia leading to diabetic ketoacidosis (DKA) and therapeutic management of T1DM.ResultsOf 3903 included participants, 3858 (98.8%) were eligible for the study. Overall, 24.3% (95% confidence interval [CI]: 22.9–25.6) of participants achieved the glycaemic target of HbA1c less than 7.0 %, with more participants achieving this target in the 26–44 years group (27.6% [95% CI: 25.5–29.8]). Target achievement was highest in Eastern and Western Europe, and lowest in the Middle East. The incidence of hypoglycaemia and of severe hyperglycaemia leading to DKA tended to decrease with age, and varied across regions. Age and regional differences were observed in therapeutic management, including types of device/insulin usage, frequency of insulin dose adjustment and technology usage.ConclusionsGlycaemic control remains poor in adults with T1DM globally. Several areas of treatment may be optimised to improve outcomes, including supporting patient self‐management of insulin therapy, increasing use of technologies such as CGM, and greater provision of healthcare support.
“It's hard for me to tell my story” the experiences of Aboriginal and Torres Strait Islander male clients at a residential drug and alcohol rehabilitation centre using primary health care
Authors: Farnbach Sara , Fernando Jamie , Coyte Joe , Simms Matthew , Hackett Maree L. 
Published: December 2020

AbstractIssue addressedAboriginal males who use drug and alcohol may experience unique barriers accessing primary health care. This study explores the perceptions of Aboriginal males in treatment for drug and alcohol use around their experiences accessing primary health care, and barriers to access.MethodsTwenty male Aboriginal clients at a fee‐paying residential drug and alcohol rehabilitation centre completed semi‐structured interviews about their primary health care experiences before their stay. Interpretative phenomenological analysis was used to inductively develop themes.ResultsAbout half the males had regular General Practitioners at a mainstream primary health care service or Aboriginal Medical Service. Positive experiences included having medical needs met or understanding the health information provided; and negative experiences included inefficient health service or system processes or experiencing cultural bias or racism. Barriers included limited access to appointments or to the same GP regularly, long wait times, lack of access to transport, worry or fear about their health or the visit or their complex lives taking priority.ConclusionThis research showed that the participants sought out health care and identified barriers to accessing care and potential improvements.So what?Access to a regular General Practitioner, continuity of care and culturally appropriate and comprehensive communication techniques are important to facilitate access to primary health care by Aboriginal males. Efforts to enhance access may focus on inherent strengths within Aboriginal communities including focusing on relationships between clinicians and families, providing a welcoming environment and encouraging clients to bring a trusted family member to appointments.
Experimental study of heat transfer and flow of delta winglets inline arrays in a tube heat exchanger for enhanced heat transfer
Authors: Islam Md. , Nurizki A. , Barsoum I. , Ayish Nader , Simmons R. 
Published: December 2020

AbstractThis experiment was carried out using delta winglet arrays of vortex generators (VG) with inline arrangement in a tube heat exchanger to study enhanced heat transfer and flow behaviour. The experiment was conducted for the turbulent flow (Re = 6000 to 27000). In this experiment, different parameters, pitch ratios (PR = 1.6, 2.4, and 4.8), lengths (L = 10, 15, and 20 mm), and attack angles (B = 0°, 10°, 20°, 30°, and 45°) were studied and then their effect on thermal performance was observed. Results indicate that the PR affected f and Nu significantly. For PR = 1.6, VGs showed the highest f and Nu for all of the cases. Vortex generators with L10 B45 PR4.8 achieved the best TPE with 1.23 at Re = 6000. Attack angle B indicated a significant impact on thermal performance and 45 degree showed the TPE of 1.23 at lower Re. Oil film flow and smoke flow visualization were employed to identify the flow vortices and understand flow mechanism. The oil film flow and smoke flow visualization clearly traced longitudinal vortex, and induced vortex, which induced impingement flow and recirculation zone that lead to significant heat transfer enhancement.
Colorectal cancer prompted adipose tissue browning and cancer cachexia through transferring exosomal miR‐146b‐5p
Authors: Di Wenjuan , Zhang Wenling , Zhu Bei , Li Xiaolin , Tang Qiyun , Zhou Yichan 
Published: December 2020

AbstractCancer cachexia is a complex syndrome that is associated with thermogenic gene regulation. Currently, although some studies have reported the link between exosomes and cancer cachexia in a few types of cancer, the underlying mechanisms remain poorly understood. In this study, we tried to identify whether exosomes derived from colorectal cancer could affect lipolysis in vitro and in vivo. Here, we collected the tissue samples from 48 patients with colorectal cancer (47.91% females and mean age 55 ± 8.20) and 48 healthy people at the First Affiliated Hospital of Nanjing Medical University to detect the miR‐146‐5p expression. Here, we found that cancer cells released exosomes induced white adipose tissues (WATs) browning and accelerated lipolysis. We also demonstrated that miR‐146b‐5p was enriched in cancer‐related exosomes. Overexpression miR‐146b‐5p resulted in increased WAT browning, decreased oxygen consumption, and fat mass loss (14.57%). The further study identified that miR‐146b‐5p could directly repress the downstream gene homeodomain‐containing gene C10 (HOXC10), thereby regulating lipolysis. Therefore, our results indicated that cancer cells derived from exosomal miR‐146b‐5p played an essential role in WAT browning. Inhibition of cancer‐related exosomes might be necessary for improving the cachexia condition.
Effect of Renal and Hepatic Impairment on the Pharmacokinetics of Temsavir, the Active Moiety of Fostemsavir
Authors: Magee Mindy , Slater Jill , Mannino Frank , Ackerman Peter , Llamoso Cyril , Moore Katy 
Published: December 2020

AbstractThe oral prodrug fostemsavir (GSK3684394, formerly BMS‐663068) is an antiretroviral treatment for HIV‐1. Fostemsavir is metabolized to its active moiety, temsavir, a first‐in‐class HIV‐1 attachment inhibitor that binds to the viral envelope glycoprotein 120. Long‐term antiretroviral therapy, the resulting longer life expectancy, and/or certain coinfections can increase the risk of chronic liver and kidney disease in HIV‐1–infected individuals. Two studies were conducted to collectively evaluate the impact of renal and hepatic impairment on temsavir pharmacokinetics (PK) and safety following a single dose of a 600‐mg extended‐release fostemsavir tablet. There was no clinically meaningful effect of renal or hepatic impairment on temsavir PK, although renal clearance decreased with increasing renal impairment from moderate to severe, and exposure (maximum concentration and area under the plasma concentration–time curve from time 0 to infinity) tended to increase with increasing severity of hepatic impairment. No clinically meaningful effect of hemodialysis on temsavir PK parameters was observed. Fostemsavir was generally safe and well tolerated by treated subjects. Most adverse events (AEs) were mild, with the exception of 1 patient in the renal impairment study who discontinued due to 2 serious AEs unrelated to the study drug. No other treatment‐emergent serious AEs occurred, and no other AEs leading to discontinuation were reported. Overall, these results suggest that fostemsavir can be used without dose modification in subjects with mild to severe renal impairment, including those with end‐stage renal disease on hemodialysis, and in subjects with mild to severe hepatic impairment.
Computational evaluation of a new digital tandem quadrupole mass filter
Authors: Huntley Adam P. , Reilly Peter T.A. 
Published: December 2020

AbstractA tandem mass filter consists of two low‐resolution mass filters arranged in series that operate with a small offset between their mass windows. In principle, the overlap of the two individual mass windows defines the tandem window. Tandem operation provides improved resolution and transmission compared to a single mass filter operated with the same mass window. The improvement in transmission is owed to the larger acceptance of the low‐resolution quadrupoles. The tandem filter resolution and transmission are adjusted by changing the amount of offset separating the mass windows of the individual filters. Sine wave systems create this offset through voltage changes. Digital tandem mass filters depart from convention because they do not change voltage. The tandem mass window is created when the individual filters are operated with two slightly different duty cycles. Both quadrupoles operate at the same frequency, phase, and voltage. When the frequency, phase, and voltage of each quadrupole are identical, there theoretically are no changes to the Mathieu parameters to cause ion excitation and loss during transition between the quadrupole pair. The work presented here shows that a fixed AC voltage digital tandem mass filter can only operate in higher stability zones. However, unlike sine mass filters, the mass range of a digital system is not limited. This makes the digital tandem mass filter feasible as a commercial product. For the tandem digital mode to be successful, the duty cycles of each quadrupole must be precisely controlled because the duty cycle differences required to shift the mass windows are small. The creation of these mass window offsets requires waveform generation that can obtain high duty cycle resolution. Our method of generating waveforms can meet this demand; however, modifications to our current printed circuit board must be made. These modifications are minor and will be discussed.
Silk Protein Paper with In Situ Synthesized Silver Nanoparticles
Authors: Liang Yujia , Tang Bin , Sharma Aarushi , Perera Dinidu , Allardyce Benjamin James , Ghosh Sourabh , Schniepp Hannes C. , Rajkhowa Rangam 
Published: December 2020

AbstractSilver nanoparticles (AgNPs) are in situ synthesized for the first time on microfibrillated silk (MFS) exfoliated from domesticated Philosamia cynthia ricini (eri) and Bombyx mori (mulberry) silkworm silk fibers. The process is rapid (hours time), does not rely on harmful chemicals, and produces robust and flexible AgNPs coated MFS (MFS‐AgNPs) protein papers with excellent handling properties. None of these can be achieved by approaches used in the past to fabricate AgNPs silk systems. MFS bonds the AgNPs strongly, providing good support and stabilization for the NPs, leading to strong wash fastness. The mechanical properties of the MFS‐AgNPs papers largely do not change compared to the MFS papers without nanoparticles, except for some higher concentration of AgNPs in the case of mulberry silk. The improved tensile properties of eri silk papers with or without AgNPs compared to mulberry silk papers can be attributed to the higher degree of fibrillation achieved in eri silk and its inherent higher ductility. MFS‐AgNPs from eri silk also exhibit strong antibacterial activity. This study provides the basis for the development of smart protein papers based on silk fiber and functional nanomaterials.
Zn–Porphyrin‐Functionalized Hollow Microporous Organic Nanospheres and Their Application for the Oxidative Coupling of Thiols
Authors: Gao Shengguang , Zhang Li , Yu Haitao , Wang Huaqing , He Zhiwei , Song Chunmei , Huang Kun 
Published: December 2020

AbstractNovel meso‐tetraphenylporphyrin zinc(II) (ZnTPP)‐functionalized hollow microporous organic nanospheres (ZnTPP@HMONs) are successfully prepared a via hyper‐crosslinking‐induced self‐assembly strategy and following postcomplexation with zinc(II) ions using polylactide‐b‐polystyrene (PLA‐b‐PS) diblock copolymers and meso‐tetraphenylporphyrin (H2TPP) as precursors. The obtained ZnTPP@HMONs possess a micro/mesoporous structure, high special surface area, and robust organic framework. In particular, the inner hollow cavity in ZnTPP@HMONs catalyst can be beneficial to the diffusion of substrates and products. Therefore, the prepared ZnTPP@HMONs exhibit excellent catalytic performance and good reusability in the oxidative coupling of thiols.