bluuebunny/crossref_metadata_2025 huggingface dataset:
Voter models on subcritical scale‐free random graphs
Authors: Fernley John , Ortgiese Marcel
Published: July 2022

The voter model is a classical interacting particle system modelling how consensus is formed across a network. We analyze the time to consensus for the voter model when the underlying graph is a subcritical scale‐free random graph. Moreover, we generalize the model to include a “temperature” parameter controlling how the graph influences the speed of opinion change. The interplay between the temperature and the structure of the random graph leads to a very rich phase diagram, where in the different phases different parts of the underlying geometry dominate the time to consensus. Finally, we also consider a discursive voter model, where voters discuss their opinions with their neighbors. Our proofs rely on the well‐known duality to coalescing random walks and a detailed understanding of the structure of the random graphs.
Birnessite films are sensitive indicators of microbial manganese reduction in soil
Authors: Hino Katelyn C. , Romero Jasper , Loffredo Joseph L. , Stolt Mark , Amador Jose , Moseman‐Valtierra Serena , Wigand Cathleen , Pellock Brett J.
Published: July 2022

Manganese (Mn) and Fe indicator of reduction in soils (IRIS) devices are low‐cost, convenient tools for identifying reducing conditions in soils. Because Mn is reduced at similar redox potentials as nitrate, there is considerable interest in using Mn IRIS tools for understanding microbial reduction of Mn as a surrogate for processes such as denitrification. However, the sensitivity of these devices to differences in Mn‐reducing capacity has not been empirically investigated. Here we have found that the rate of birnessite paint removal from Mn IRIS films exposed to a twofold dilution series of the Mn‐reducing bacterium Shewanella oneidensis is directly proportional to the number of S. oneidensis cells added. Thus, regularly monitored birnessite IRIS sensors are capable of indicating twofold differences in Mn reduction in soil and can be used to measure relative Mn reduction rates over time in a single location or compare and contrast Mn reduction rates across soil types.
One‐Pot Synthesis of Size‐Controlled Poly(cyclotriphosphazene‐co‐hesperetin) Microspheres and Their Properties as Drug Delivery Carriers
Authors: Mehmood Sahid , Uddin Md Alim , Yu Haojie , Wang Li , Amin Bilal Ul , Haq Fazal , Fahad Shah , Haroon Muhammad
Published: July 2022

In this study, cross‐linked poly(cyclotriphosphazene‐co‐hesperetin) (PCTPHP) microspheres were synthesized by the reaction of hexachlorocyclotriphosphazene (HCCP) with hesperetin (HSP). Fourier transform infrared (FT‐IR) spectroscopy was used to confirm the successful preparation of the PCTPHP microspheres. The cross‐linking density of the prepared PCTPHP microspheres was examined by electron paramagnetic resonance (EPR) spectroscopy. The results showed that the increased HSP mole might be more suitable to cross‐link with HCCP in high density. The thermal properties, particle size distribution, morphology and crystalline nature of PCTPHP microspheres were investigated by thermogravimetric analysis (TGA), dynamic light scattering (DLS), scanning electron microscope (SEM) and X‐ray diffraction (XRD). The prepared PCTPHP‐3 microspheres were used as drug carriers. The 5‐fluorouracil (5‐FU) was loaded on the microspheres and their in vitro release behavior was observed at two different pH values. The results showed a controlled release of 5‐FU from the PCTPHP‐3/5‐FU in both basic and acidic mediums up to 216 h. The results showed that the PCTPHP microspheres might play a vital role as drug carriers in cancer therapy.
Size‐Dependence of Pt‐Based Catalysts for Ethane Catalytic Combustion
Authors: Fu Qijun , Wang Sheng , Wang Ting , Yue Xu , Bai Yuting , Li Pengpeng , Wang Mingzhe , Wang Shudong
Published: July 2022

Pt/Ce0.5Zr0.5O2 (Pt/CZ11) was synthesized with different Pt size from 1.80 to 2.89 nm. Meanwhile, Pt/γ‐Al2O3 (Pt/Al2O3) with same Pt loading was prepared, and its dimension varied from 1.45 to 1.76 nm. Ethane complete oxidation was investigated over as‐synthesized catalysts. Different size‐dependence was illustrated over Pt/CZ11 and Pt/Al2O3. There was a volcanic relationship between Pt size and catalytic activity for Pt/CZ11, while the catalytic activity increased linearly as the dimension of Pt decreased for Pt/Al2O3. In combination with H2‐TPR, O2‐TPD, XPS, and Raman results, it was revealed that various size‐dependence was associated strongly with the amount of oxygen species and Pt dispersion. For inert support Al2O3, Pt dispersion was dominant. Whereas the activity on Pt/CZ11 was dependent on the synergistic effect between oxygen vacancy and active sites. Pt/CZ11‐2.70 exhibited the most superior ethane combustion activity due to moderate Pt dispersion and abundant oxygen vacancy.
Development of Potent ERα Inhibitors: Effectively Inhibit the Growth of Breast Cancer Cells
Authors: Yao Weiwei , Wang Peirong , Yang Huihui , Pu Xiaohui , Yang Jinfei
Published: July 2022

Breast cancer is the highest incidence among female cancers in the world, but the approved clinical drugs have strong side effects, and some even have carcinogenic effects. Lonidamine has attracted much attention due to its stronger inhibitory effect and smaller side effects for breast cancer, but its low bioavailability limits its clinical application. To overcome this challenge, we hope to further enhance its effect of inhibiting cancer cell proliferation and increase its bioavailability by modifying the structure of lonidamine. After continuous efforts, we designed and synthesized two drug molecules 18a (YRL‐01) and 18b (YRL‐02) with higher inhibitory activity than lonidamine based on the structure‐based drug design strategy, with IC50 values of 45 μM and 53 μM, respectively. Subsequent molecular docking experiments showed that these two molecules should act by targeting the estrogen receptoralpha (ERα). We believe that the research results will provide meaningful guidance for the design and development of innovative drugs against breast cancer in the future.
Synthesis and Properties of High‐Refractive‐Index Iodine‐Containing Polyacrylates
Authors: Maekawa Hiroyuki , Amano Hikaru , Nishina Ikuko , Kudo Hiroto
Published: July 2022

We examined the radical polymerization of 2,4,6‐triiodophenyl acrylate (TIPA), the chain‐transfer radical polymerization of TIPA in the presence of 4,4‐thiobisbenzenethiol (TBBT) or 4‐mercaptopyridine (MP), and the radical copolymerization of TIPA with 2‐hydroxyethyl acrylate (HEA) or 2‐(2‐ethoxyethoxy) ethyl acrylate (EEA), using AIBN as an initiator at 60 °C for 20 h. These reactions afforded poly(TIPA), TBBT‐poly(TIPA)m, MP‐poly(TIPA)m poly(TIPAm‐co‐HEAn) and poly(TIPAm‐co‐EEAn), respectively, with Mn values in the range of 3,180 to 46,550, in satisfactory yields. MP‐poly(TIPA)41 (Mn=6,880), poly(TIPA88‐co‐HEA12) (Mn=11,300), and poly(TIPA85‐co‐EEA15) (Mn=19,200) showed film‐forming ability, although poly(TIPA) and TBBT‐poly(TIPA)m did not. Among them, poly(TIPA85‐co‐EEA15) showed high values of refractive index (n) and Abbe number (ν), i. e., n=1.850 and ν=20.7.
Detection of the Fungicide Dodine by means of Host‐Guest Complexation between Cucubit[10]uril and Acridine Orange
Authors: Wang Cheng‐hui , Zou Hong‐qian , Cong Hang , Huang Ying , Tao Zhu , Redshaw Carl , Xiao Xin
Published: July 2022

The interaction between acridine orange (AO) and cucurbit[10]uril, Q[10] affords the ternary complex 2AO@Q[10]. Subsequent addition of dodine (DD) displaces AO from the Q[10] cavity, and results in a fluorescent output. The effect of 20 different pesticides, as well as a number of common interferents, on the fluorescent output is presented. Results revealed that the system is capable of the selective recognition of DD, with a limit of detection (LOD) for DD of 1.12×10−7 M.
Synthesis of (p‐tolyl)‐3(2H)pyridazinone Derivatives as Novel Acetylcholinesterase Inhibitors
Authors: Merde İrem Bozbey , Önel Gülce Taşkor , Türkmenoğlu Burçin , Gürsoy Şule , Dilek Esra , Özçelik Azime Berna , Uysal Mehtap
Published: July 2022

In this study, a series of N‐substituted‐(p‐tolyl)pyridazin‐3(2H)‐one derivatives were synthesized and evaluated for their AChE inhibitory activity. The chemical structures of novel compounds 5(a–m) were confirmed by 1H‐NMR, 13C‐NMR, IR and HRMS analysis. In order to eliminate the symptomatic effects of Alzheimer's disease, the proposed compounds were evaluated by acetylcholinesterase inhibition activity study in accordance with the cholinergic hypothesis. The results revealed that the N‐substituted‐(p‐tolyl)pyridazin‐3(2H)‐one derivatives inhibited the enzymes significantly. Ki values for acetylcholinesterase in the range of 0.56±0.15–4.12±1.42 μM. Compound 5 h demonstrated the greatest in AChE activity compared with tacrine (0.56±0.15 μM). Molecular docking studies were performed for all compounds that compared tacrine in AChE activity in‐vitro. As a result of molecular docking studies (ΔGBind, docking score, XP Gscore, Glide energy, Glide emodel), 5 f, 5 g and 5 h compounds showed good inhibitory properties in the AChE active site as in silico.
X‐Ray Shielding Performance and Characterization of Electrospun PVC/Bismuth(III) Oxide Nanocomposites
Authors: Hale Aygün Hayriye , Hakkı Alma Mehmet
Published: July 2022

To develop an alternative surface to lead‐based shieldings, we synthesized bismuth(III) oxide‐free and bismuth(III) oxide‐loaded poly(vinyl) chloride solutions via electrospinning process. Nanocomposite surfaces were characterized by scanning electron microscopy, differential scanning calorimetry, thermogravimetric analysis and fourier transform infrared spectroscopy. Thickness and electrical conductivity of different samples were measured and linear attenuation coefficients, half‐value length, tenth‐value length, mean‐free path and shielding performance were calculated with corresponding formula. The attenuation behaviors of samples were plotted by X‐COM software. According to results of instrumental analysis, micro‐particulated bismuth(III) oxide powder was adapted into nanofibrous structures and bismuth(III) oxide loading lead to development on thermal behaviors. Besides, bismuth(III) oxide‐loaded poly(vinyl) chloride samples showed limited electrical conductivity and improved X‐ray radiation attenuation. Increasing weight percentage of bismuth(III) oxide caused a decrease on half‐value length, tenth‐value length and mean‐free path values. It was concluded that studied samples should be used as multi‐layer form for achieving desired radiation dose reduction. By increasing w% of bismuth(III) oxide powder, more effective surfaces for radiation shielding can be manufactured.
Sustainable Synthesis of Aryl and Heteroaryl Aldehydes
Authors: Paganelli Stefano , Tassini Riccardo , Piccolo Oreste
Published: July 2022

Aromatic aldehydes are important intermediates for the synthesis of valuable fine and specialty chemicals and many procedures for their preparation have been developed but, nowadays, most of these synthetic methods require large amounts of reagents and multiple steps, with production of wastes. In this paper, we focused on the synthesis of some (hetero)aromatic aldehydes, used either as industrial flavor/fragrances of commercial interest, such as Heliotropine®, or as key intermediates for the preparation of some APIs and of other fragrances such as Lioral® and Helional®, by reductive carbonylation of halo derivative precursors. In order to carry out an easier and more applicable process, hydrogen donors, instead of gaseous flammable and explosive hydrogen, and recyclable phosphine free low metal content catalysts, were employed.
Nanozyme‐Based Artificial Organelles: An Emerging Direction for Artificial Organelles
Authors: Zhang Shuai , Zhang Ruofei , Yan Xiyun , Fan Kelong
Published: July 2022

Artificial organelles are compartmentalized nanoreactors, in which enzymes or enzyme‐mimic catalysts exhibit cascade catalytic activities to mimic the functions of natural organelles. Importantly, research on artificial organelles paves the way for the bottom‐up design of synthetic cells. Due to the separation effect of microcompartments, the catalytic reactions of enzymes are performed without the influence of the surrounding medium. The current techniques for synthesizing artificial organelles rely on the strategies of encapsulating enzymes into vesicle‐structured materials or reconstituting enzymes onto the microcompartment materials. However, there are still some problems including limited functions, unregulated activities, and difficulty in targeting delivery that hamper the applications of artificial organelles. The emergence of nanozymes (nanomaterials with enzyme‐like activities) provides novel ideas for the fabrication of artificial organelles. Compared with natural enzymes, nanozymes are featured with multiple enzymatic activities, higher stability, easier to synthesize, lower cost, and excellent recyclability. Herein, the most recent advances in nanozyme‐based artificial organelles are summarized. Moreover, the benefits of compartmental structures for the applications of nanozymes, as well as the functional requirements of microcompartment materials are also introduced. Finally, the potential applications of nanozyme‐based artificial organelles in biomedicine and the related challenges are discussed.
A DNA‐Micropatterned Surface for Propagating Biomolecular Signals by Positional on‐off Assembly of Catalytic Nanocompartments
Authors: Maffeis Viviana , Hürlimann Dimitri , Krywko‐Cendrowska Agata , Schoenenberger Cora‐Ann , Housecroft Catherine E. , Palivan Cornelia G.
Published: July 2022

Signal transduction is pivotal for the transfer of information between and within living cells. The composition and spatial organization of specified compartments are key to propagating soluble signals. Here, a high‐throughput platform mimicking multistep signal transduction which is based on a geometrically defined array of immobilized catalytic nanocompartments (CNCs) that consist of distinct polymeric nanoassemblies encapsulating enzymes and DNA or enzymes alone is presented. The dual role of single entities or tandem CNCs in providing confined but communicating spaces for complex metabolic reactions and in protecting encapsulated compounds from denaturation is explored. To support a controlled spatial organization of CNCs, CNCs are patterned by means of DNA hybridization to a microprinted glass surface. Specifically, CNC‐functionalized DNA microarrays are produced where individual reaction compartments are kept in close proximity by a distinct geometrical arrangement to promote effective communication. Besides a remarkable versatility and robustness, the most prominent feature of this platform is the reversibility of DNA‐mediated CNC‐anchoring which renders it reusable. Micropatterns of polymer‐based nanocompartment assemblies offer an ideal scaffold for the development of the next generation responsive and communicative soft‐matter analytical devices for applications in catalysis and medicine.
Synergistic Incorporating RuO2 and NiFeOOH Layers onto Ni3S2 Nanoflakes with Modulated Electron Structure for Efficient Water Splitting
Authors: Zhang Hongmei , Chen Chu , Wu Xueyan , Lv Changwu , Lv Yan , Guo Jixi , Jia Dianzeng
Published: July 2022

Synergistic electronic modulations is an effective strategy to develop efficient and stable electrocatalysts for the electrochemical hydrogen production via water splitting. Herein, tremella‐like Ni3S2@RuO2 and Ni3S2@NiFeOOH heterostructures catalysts are constructed on Ni foams (NF) by coupling RuO2 and NiFeOOH on Ni3S2 nanoflake arrays. The resulting Ni3S2@RuO2/NF electrode exhibits top‐level hydrogen evolution reaction electrocatalysis with an extremely low overpotential of 12 mV at 10 mA cm−2 and a Tafel slope of 30.7 mV dec−1, as well as the as‐obtained Ni3S2@NiFeOOH/NF electrode with tunable binding energy for OH* intermediates shows remarkable oxygen evolution reaction electrocatalysis with an overpotential of 227 mV at 10 mA cm−2. The electrolyzer employing Ni3S2@RuO2/NF electrode for cathodic H2 production and Ni3S2@NiFeOOH/NF for anodic O2 production merely needs a low voltage of 1.47 V to drive 10 mA cm−2 with excellent durability. The combined theoretical calculation and X‐ray photoelectron spectroscopy investigation reveal that heterogeneous configuration can induce electron transfer from Ni3S2 to RuO2 through NiRu/SRu bonds, and thus tailor the d‐band center and optimize the activated H2O/H* Gibbs free energies for enhanced hydrogen evolution reaction on Ni3S2@RuO2. This study may shed new light on the construction of heterostructures as highest‐performing electrocatalysts and offer unique insight into the theory mechanism.
Synthesis of Patchy Nanoparticles with Symmetry Resembling Polar Small Molecules
Authors: Zhang Yan , Dong Wenhao , Wang Yazi , Wu Qi , Yi Chenglin , Yang Yiqun , Xu Yifei , Nie Zhihong
Published: July 2022

Patchy nanoparticles (NPs) show many important applications, especially for constructing structurally complex colloidal materials, but existing synthetic strategies generate patchy NPs with limited types of symmetry. This article describes a versatile copolymer ligand‐based strategy for the scalable synthesis of uniform Au‐(SiO2)x patchy NPs (x is the patch number and 1 ≤ x ≤ 5) with unusual symmetry at high yield. The hydrolysis and condensation of tetraethyl orthosilicate on block‐random copolymer ligands induces the segregation of copolymers on gold NPs (AuNPs) and hence governs the structure and distribution of silica patches formed on the AuNPs. The resulting patchy NPs possess unique configurations where the silica patches are symmetrically arranged at one side of the core NP, resembling the geometry of polar small molecules. The number, size, and morphology of silica patches, as well as the spacing between the patches and the AuNP can be precisely tuned by tailoring copolymer architectures, grafting density of copolymers, and the size of AuNPs. Furthermore, it is demonstrated that the Au‐(SiO2)x patchy NPs can assemble into more complex superstructures through directional interaction between the exposed Au surfaces. This work offers new opportunities of designing next‐generation complex patchy NPs for applications in such as biomedicines, self‐assembly, and catalysis.
Role of Bin‐Amphiphysin‐Rvs (BAR) domain proteins in mediating neuronal signaling and disease
Authors: Mallik Bhagaban , Bhat Sajad , Kumar Vimlesh
Published: July 2022

Several proteins contain signaling domains that can regulate the cell membrane dynamics as well as the underlying cytoskeleton. Among these, Bin‐Amphiphysin‐Rvs (BAR) domain‐containing proteins, with their membrane deforming properties, have emerged as the key players in regulating neuronal morphology and inducing neuronal signaling that can modulate synaptic architecture. While the biochemical and structural basis of membrane deformation by the BAR‐domain proteins has been extensively studied, the in vivo contexts in which these proteins function remain to be elucidated. Despite the discovery of BAR‐domain proteins over 25 years ago, most of the studies have primarily focused on understanding the structural and biochemical properties and cell biological processes regulated by these proteins. Understanding the functional requirements of these proteins at the level of multicellular organisms and the way these proteins regulate biological processes remains a topic of intensive study. In this review, we discuss the functional roles of BAR‐domain proteins in the context of membrane dynamics and cellular signaling. We highlight recent developments describing the functional role of these proteins in neuronal morphogenesis, synaptic function, and disease.
Evaluating ASCE 41‐17 performance‐based provisions on optimally designed steel moment frames
Authors: Ebadijalal Mehrdad , Shahrouzi Mohsen
Published: July 2022

In this study, the ASCE 41‐17 nonlinear static procedure for steel moment‐resisting frames is evaluated using a three‐phase constraint handling procedure. For the first time, advanced performance measures of ASCE 41‐17 are quantified during the optimization process by constructing concentrated plasticity models of the standard. Covariance matrix adaptation in evolution strategies (CMA‐ES) is used to obtain optimal designs for three‐ and nine‐story illustrative examples. Active and inactive constraints are discussed in the current performance‐based design methodology as a guide for future research. The seismic evaluation procedure outlined in FEMA P695 is applied to 147 optimal designs. Plastic hinge models explicitly simulate cyclic deterioration in nonlinear dynamic analyses. The numerical results conclusively demonstrate that the design procedure provides an acceptable margin of safety from collapse of the treated frames. Moreover, there is no significant relationship between the structural weights and the collapse margin ratios for such optimally designed structures.
The Many Chemists Who Could Have Proposed the Woodward‐Hoffmann Rules But Didn't: The Organic Chemists Who Knew of the Smoking Guns**
Authors: Seeman Jeffrey I.
Published: July 2022

It is a reasonable question to ask, why, as of 1965 when the five Woodward‐Hoffmann communications appeared, did no other organic chemist discover the orbital symmetry rules for pericyclic reactions? The previous two papers in this 27‐paper series on the history of the Woodward‐Hoffmann rules discussed the physical chemists, chemical physicists, and theoretical chemists who could have solved the pericyclic no‐mechanism problem; and the organic chemists in whose laboratory many of the key hints to this problem were found but still did not solve the problem. The stories of 16 other chemists who knew of (at least portions of) the pericyclic no‐mechanism problem are presented in this paper. Social, political, and scientific explanations are presented as partial rationalizations as to why none of these individuals – except Woodward with Hoffmann – solved the pericyclic no‐mechanism problem.
Advanced placement course credit and undergraduate student success in gateway science courses
Authors: Fischer Christian , Witherspoon Eben , Nguyen Ha , Feng Yanan , Fiorini Stefano , Vincent‐Ruz Paulette , Mead Chris , Bork Rodriguez William Nicholas , Matz Rebecca L. , Schunn Christian
Published: July 2022

Approximately 2 million students take Advanced Placement (AP) examinations annually. However, departmental policies that allow students to replace introductory courses with AP credit greatly vary within and across universities, even across relatively similar universities. This study examines the impact of AP credit policies on second‐course success in introductory Biology, Chemistry, and Physics course sequences at six large public research universities (N = 48,230 students). Applying logistic regression analyses, we found that general performance indicators and measures of systemic inequities during high school were predictive of students earning skip‐eligible scores. Interestingly, we descriptively discovered wide variation across institutions and disciplines in the percentage of students who chose to skip when meeting their local policies. However, logistic regression analysis did not find general trends of inequalities for skipping courses for students with skip‐eligible scores. We then applied inverse‐probability weights with regression adjustment to examine the effects of course skipping. We found that students who skipped their first course with AP credit actually performed similarly well or better in subsequent courses than did students who did not skip, even in contexts where lower AP scores were accepted. Therefore, our study suggests administrators to increase coherence in AP credit policies across departments and disciplines. In particular, we encourage modifying AP credit policies and academic advising to encourage students to skip when they have eligible AP scores. Benefits may include reductions in unnecessary coursework that is burdensome for both students and universities, potentially freeing up resources to better support students who were not privileged to enroll in AP courses during their high school education.
Introducing bioflocculation boundaries in process control to enhance effluent quality of high‐rate contact‐stabilization systems
Authors: Ngo Khoa Nam , Tampon Patrexia , Van Winckel Tim , Massoudieh Arash , Sturm Belinda , Bott Charles , Wett Bernhard , Murthy Sudhir , Vlaeminck Siegfried E. , DeBarbadillo Christine , De Clippeleir Haydée
Published: July 2022

High‐rate activated sludge (HRAS) systems suffer from high variability of effluent quality, clarifier performance, and carbon capture. This study proposed a novel control approach using bioflocculation boundaries for wasting control strategy to enhance effluent quality and stability while still meeting carbon capture goals. The bioflocculation boundaries were developed based on the oxygen uptake rate (OUR) ratio between contactor and stabilizer (feast/famine) in a high‐rate contact stabilization (CS) system and this OUR ratio was used to manipulate the wasting setpoint. Increased oxidation of carbon or decreased wasting was applied when OUR ratio was <0.52 or >0.95 to overcome bioflocculation limitation and maintain effluent quality. When no bioflocculation limitations (OUR ratio within 0.52–0.95) were detected, carbon capture was maximized. The proposed control concept was shown for a fully automated OUR‐based control system as well as for a simplified version based on direct waste flow control. For both cases, significant improvements in effluent suspended solids level and stability (<50‐mg TSS/L), solids capture over the clarifier (>90%), and COD capture (median of 32%) were achieved. This study shows how one can overcome the process instability of current HRAS systems and provide a path to achieve more reliable outcomes.

Practitioner points

Online bioflocculation boundaries (upper and lower limit) were defined by the OUR ratio between contactor and stabilizer (feast/famine).

To maintain effluent quality, carbon oxidation was minimized when bioflocculation was not limited (0.52–0.95 OUR ratio) and increased otherwise.

A fully automated control concept was piloted, also a more simplified semiautomated option was proposed.

Wasting control strategies with bioflocculation boundaries improved effluent quality while meeting carbon capture goals.

Bioflocculation boundaries are easily applied to current wasting control schemes applied to HRAS systems (i.e., MLSS, SRT, and OUR controls).
OLive-L: A SecANet Use Case for Log-Based Obstruction Solving
Authors: Holderer Julius
Published: July 2022

In this chapter, the OLive-L approach will illustrate how the SecANet approach presented in Chapter 3 can be applied to handle and resolve obstructions based on process logs. In order to complete the workflow in that context, based on indicators captured as costs, a certain yet still compliant degree of violation of safety properties is tolerated. The solutions allow for additional, eventually live, process execution sequences because they widen the behavioral framework restricted by classic IT security in a security-sensitive way. This chapter focuses on log-based completability (as identified in Chapter 2) and considers the obstruction as an execution trace in the context of process event logs. The realization of the OLive-L approach will incorporate methods of process mining and machine learning techniques to propose security-sensitive solutions that represent the nearest match of successful executions to escape an obstructed state. To show the applicability of the OLive-L approach, the evaluation offers experimental results based on event data synthesized from SecANet execution sequences. A set of example process logs will be generated using sample models with different degrees of complexity. Experiments based on these inputs will empirically show characteristics and functionality of the proposed approach. In the course of the discussion it will be sketched how logs may be used for the model-based approach and vice versa.
On holography in general background and the boundary effective action from AdS to dS
Authors: Fichet Sylvain
Published: July 2022

Abstract

We study quantum fields on an arbitrary, rigid background with boundary. We derive the action for a scalar in the holographic basis that separates the boundary and bulk degrees of freedom. A relation between Dirichlet and Neumann propagators valid for any background is obtained from this holographic action. As a simple application, we derive an exact formula for the flux of bulk modes emitted from the boundary in a warped background. We also derive a formula for the Casimir pressure on a (d − 1)-brane depending only on the boundary-to-bulk propagators, and apply it in AdS. Turning on couplings and using the holographic basis, we evaluate the one-loop boundary effective action in AdS by means of the heat kernel expansion. We extract anomalous dimensions of single and double trace CFT operators generated by loops of heavy scalars and nonabelian vectors, up to third order in the large squared mass expansion. From the boundary heat kernel coefficients we identify CFT operator mixing and corrections to OPE data, in addition to the radiative generation of local operators. We integrate out nonabelian vector fluctuations in AdS4,5,6 and obtain the associated holographic Yang-Mills β functions. Turning to the expanding patch of dS, following recent proposals, we provide a boundary effective action generating the perturbative cosmological correlators using analytical continuation from dS to EAdS. We obtain the “cosmological” heat kernel coefficients in the scalar case and work out the divergent part of the dS4 effective action which renormalizes the cosmological correlators. We find that bulk masses and wavefunction can logarithmically run as a result of the dS4 curvature, and that operators on the late time boundary are radiatively generated. More developments are needed to extract all one-loop information from the cosmological effective action.
Backreacted D0/D4 background
Authors: Filev Veselin G. , O’Connor Denjoe
Published: July 2022

Abstract

We construct a supergravity background corresponding to a backreacted D0/D4-brane system. The background is holographically dual to the Venecianno limit of the Berkoos-Douglas matrix model. It is known that the localized D0/D4 system is unstable when the D0-branes are within the D4-branes. To circumvent this difficulty we separate the D4s from the D0s, which are placed at the origin, and restore the symmetry of the combined system by distributing the D4-branes on a spherical shell around the D0-branes. The backreacted solution is first obtained perturbatively in Nf/Nc and displayed analytically to 1st order. A non-perturbative numerical solution is then presented.
Investigating the ‘techno-eco-efficiency’ performance of pump impellers: metal 3D printing vs. CNC machining
Authors: Jayawardane Heshan , Davies Ian J. , Gamage J. R. , John Michele , Biswas Wahidul K.
Published: July 2022

The economic, environmental, and social impacts caused by the extensive resource consumption and harmful emissions from the metal manufacturing industry should be lowered through innovative sustainable manufacturing strategies. This study aims to investigate the techno-eco-efficiency performance of metal 3D-printed parts in comparison with CNC-machined parts to determine the technical, economic, and environmental performance as a decision support tool for selecting the most techno-eco-efficient manufacturing method. In this study, a novel metal extrusion 3D printing technology has been used to create a centrifugal semi-open pump impeller in 316L stainless steel material. The technical feasibility of the impellers has been determined by evaluating the geometry, build material, mechanics, morphology, and functional performance of the impellers. The eco-efficiency performance of technically feasible impellers was evaluated through environmental life cycle assessment, life cycle costing, and portfolio analysis. This eco-efficiency analysis helped ascertain the cost-competitiveness and environmentally friendliness of the 3D-printed impellers by comparing it with the conventional impellers. The findings reveal that the AM impeller is eco-efficient mainly due to lower normalised environmental impacts (54.6%) compared to the SM impeller. The functional parts made by metal extrusion 3D printing are technically feasible, cost-effective, and environmentally friendly compared to the SM counterparts.
Actinospica acidithermotolerans sp. nov., a novel actinomycete isolated from sediment from an Indonesian hot spring
Authors: Kusuma Ali B. , Putra Kurniawan E. , Vanggy Leggina R. , Loh Joshua , Nouioui Imen , Goodfellow Michael
Published: July 2022

A polyphasic study was designed to resolve the taxonomic position of isolate MGRD01-02T which was recovered from an acidic hot spring in Indonesia and assigned to the genus Actinospica. Phylogenetic analyses based on 16S rRNA gene sequences show that the isolate is most closely related to the type strains of Actinospica acidiphila (98.5%), Actinospica robiniae (97.8%) and Actinospica durhamensis (96.8%). Morphological and chemotaxonomic data underpin the assignment of the isolate to the genus Actinospica as it forms an extensively branched substrate mycelium which carries tufts of white aerial hyphae that differentiate into straight to flexuous chains of cylindrical spores with faint rugose surfaces, contains 2,6-diamino-3-hydroxydiaminopimelic acid in the peptidoglycan, mixtures of hydrogenated menaquinones with nine isoprene units, iso-C 15:O and iso-C 16:O as major fatty acids and phosphatidylethanolamine as the diagnostic phospholipid. Whole-genome sequence analyses show that the isolate, A. durhamensis CSCA 57T and Actinocrinis puniceicyclus DSM 45168T have genome sizes of 7.9, 9.6 and 6.7 Mbp, respectively. A phylogenomic tree shows that they form distinct branches in a well-supported clade, a result supported by associated phenotypic data. Average nucleotide identity and digital DNA:DNA hybridization similarities are below the recommended thresholds for assigning strains to the same species; they also indicate that isolate MGRD01-02T is most closely related to the A. durhamensis and A. robiniae strains. Corresponding amino acid identity and conserved protein data not only support these relationships but also confirm the taxonomic integrity of the genus Actinocrinis. Based on these results, it is proposed that isolate MGRD01-02T (= CCMM B1308T = ICEBB-09T = NCIMB 15218T) be classified in the genus Actinospica as Actinospica acidithermotolerans sp. nov. The draft genome of the isolate and its closest phylogenomic neighbours contain biosynthetic gene clusters with the potential to produce new natural products, notably antibiotics.
Development of a scoring parameter to characterize data quality of centroids in high-resolution mass spectra
Authors: Reuschenbach Max , Hohrenk-Danzouma Lotta L. , Schmidt Torsten C. , Renner Gerrit
Published: July 2022

High-resolution mass spectrometry is widely used in many research fields allowing for accurate mass determinations. In this context, it is pretty standard that high-resolution profile mode mass spectra are reduced to centroided data, which many data processing routines rely on for further evaluation. Yet information on the peak profile quality is not conserved in those approaches; i.e., describing results reliability is almost impossible. Therefore, we overcome this limitation by developing a new statistical parameter called data quality score (DQS). For the DQS calculations, we performed a very fast and robust regression analysis of the individual high-resolution peak profiles and considered error propagation to estimate the uncertainties of the regression coefficients. We successfully validated the new algorithm with the vendor-specific algorithm implemented in Proteowizard’s msConvert. Moreover, we show that the DQS is a sum parameter associated with centroid accuracy and precision. We also demonstrate the benefit of the new algorithm in nontarget screenings as the DQS prioritizes signals that are not influenced by non-resolved isobaric ions or isotopic fine structures. The algorithm is implemented in Python, R, and Julia programming languages and supports multi- and cross-platform downstream data handling.
Abundance of Live and Dead Bacteriopsammon Inhabiting Sandy Ecosystems of Recreational Marine Beaches of the Southern Baltic Sea
Authors: Perliński Piotr , Mudryk Zbigniew Jan , Zdanowicz Marta , Kubera Łukasz
Published: July 2022

The study was carried out on four non-tidal sandy marine beaches located on the Polish part of the southern Baltic Sea coast. We applied a LIVE/DEAD™ BacLight™ Bacterial Viability Kit (Invitrogen™) method to determine the abundance of live and dead bacteriopsammon. Live psammon bacteria cells constituted 31–53% of the total number of bacteria inhabiting sand of the studied beaches. Abundance of live and dead psammon bacteria generally differed along the horizontal profile in all beaches. The maximum density of bacteria was noted in the dune and the middle part of the beach (dry zones) and the minimum in wet zones, i.e., under seawater surface and at the swash zone. Generally along the vertical profile, the highest numbers of two studied bacterial groups were noted in the surface sand layer, while with increasing sediment depth their numbers significantly decreased. The abundance of live and dead bacteria showed a distinct seasonal variation.
The Impact of Postmastectomy Radiation Therapy on the Outcomes of Prepectoral Implant-Based Breast Reconstruction: A Systematic Review and Meta-Analysis
Authors: Awadeen Abdelrahman , Fareed Mohamed , Elameen Ali Mohamed
Published: July 2022

Background

Breast reconstruction is the mainstay treatment choice for patients subjected to a mastectomy. Prepectoral implant-based breast reconstruction (IBBR) is deemed to be a promising alternative to subpectoral reconstruction. Postmastectomy radiation therapy (PMRT) is necessary for locoregional recurrence control and to improve the disease-free survival rate in locally advanced breast cancer. This systematic review and meta-analysis study was designed to reveal the surgical, aesthetic, and oncological outcomes of prepectoral IBBR after PMRT.

Methods

An extensive literature search was performed from inception to March 28, 2022. All clinical studies that included patients who were subjected to prepectoral IBBR and PMRT were included. Studies that included patients who received radiation therapy before prepectoral IBBR were excluded.

Results

This systematic review included six articles encompassing 1234 reconstructed breasts. Of them, 391 breasts were subjected to PMRT, while 843 breasts were not subjected. Irradiated breasts were more susceptible to develop wound infection (RR 2.49; 95% 1.43, 4.35;P = 0.001) and capsular contracture (RR 5.17; 95% 1.93, 13.80;P = 0.001) than the non-irradiated breasts. Furthermore, irradiated breasts were more vulnerable to losing implants (RR 2.89; 95% 1.30, 6.39;P = 0.009) than the non-irradiated breast. There was no significant difference between both groups regarding the risk of implant extrusion (RR 1.88; 95% 0.20, 17.63;P = 0.58).

Conclusions

Patients with prepectorally IBBR and PMRT were more vulnerable to developing poor outcomes. This included a higher risk of breast-related and implant-related adverse events.

Level of Evidence III

This journal requires that authors assign a level of evidence to each article. For a full description of these Evidence-Based Medicine ratings, please refer to the Table of Contents or the online Instructions to Authorswww.springer.com/00266.
Elucidating the Paradox of Regulating Environmental Sustainability (Mis)management and Motivations: The Case of Thai Fisheries
Authors: Chau Vinh Sum , Bunsiri Montita
Published: July 2022

This article introduces and elucidates a new sustainability management paradox by examining the difficulties of applying the European Union’s illegal, unreported and unregulated (IUU) fishing regulations in Thai waters. Interviews were conducted with key stakeholders of Thailand’s fishery sector to explore the particularities of the area. Configuration theory—from a strategic management perspective—was used to guide empirical research and extend it to the context of environmental regulation. The research finds that when it makes more business sense for stakeholders to engage in sustainability matters, more explicit engagement might take place of the wrong type, but the true sustainability objectives become performed more poorly and mismanaged, perhaps resulting in a worse-off position than started with. This is because regulation is astute at setting targets, but ineffective at engaging with key stakeholders. A composite model of how configuration theory fits within discussions of sustainability motivations is posited as the theoretical contribution to knowledge.
Changes in hemoglobin and clinical outcomes drive improvements in fatigue, quality of life, and physical function in patients with paroxysmal nocturnal hemoglobinuria: post hoc analyses from the phase III PEGASUS study
Authors: Cella David , Sarda Sujata P. , Hsieh Ray , Fishman Jesse , Hakimi Zalmai , Hoffman Kate , Al-Adhami Mohammed , Nazir Jameel , Cutts Katelyn , Lenderking William R.
Published: July 2022

Paroxysmal nocturnal hemoglobinuria (PNH) is a rare, chronic, acquired, hematologic, life-threatening disease characterized by thrombosis, impaired bone marrow function, and complement-mediated hemolysis. The PEGASUS phase III clinical trial demonstrated superiority of pegcetacoplan over eculizumab regarding improvements in hemoglobin levels in patients with suboptimal response to prior eculizumab treatment. The objective of this post hoc analysis was to compare the patient-reported outcome (PRO) response rates observed among PEGASUS participants and the relationships between their PRO scores with clinical and hematological parameters. Data from the 16-week randomized, controlled (1:1 to pegcetacoplan or eculizumab) period of the PEGASUS trial included comparisons of weekly PRO measurements taken using the Functional Assessment of Chronic Illness Therapy-Fatigue (FACIT-F) scale and the European Organization for Research and Treatment of Cancer Quality of Life Questionnaire Core-30 (EORTC QLQ-C30) scales. A clinically meaningful FACIT-F response was defined as an increase from baseline of ≥5 points. Convergent validity was assessed using conventional threshold correlations between FACIT-F, EORTC QLQ-C30, and laboratory parameters. A clinically meaningful improvement in FACIT-F score was seen in 72.2% of pegcetacoplan-treated patients compared to 22.9% of eculizumab-treated patients. At week 16, the FACIT-F total score correlated with hemoglobin levels (r=0.47,p< 0.0001), absolute reticulocyte count (r=−0.37,p<0.01), and indirect bilirubin levels (r=−0.25,p<0.05). Clinically meaningful improvements in pegcetacoplan-treated patients were also observed for multiple EORTC scales. Fatigue and other self-reported outcomes were correlated with clinically meaningful improvements in clinical and hematological parameters. Clinical trial registration: NCT03500549
Effect of matrix solidification on the structure formation in electromagnetic suspensions
Authors: Manikas Konstantinos , Hütter Markus , Anderson Patrick D.
Published: July 2022

For suspensions with electromagnetic particles exposed to an external field, we examine the effect of the solidification of the suspending medium on the formation of particle structures, representative of the curing of a photo-reactive resin during stereolithography. To that end, Brownian Dynamics (BD) simulations are examined in which the solidification of the suspending medium can be incorporated by increasing its viscosity in the course of time. For illustrative purposes, it is assumed that the viscosity function is known apriori in explicit and parametrized form, however, experimental data can be used as well. It is demonstrated that one can study the effects of the viscosity increase by a transformation of time, akin to the time–temperature superposition principle, but here also in the presence of thermal noise on the suspended particles. Therefore, instead of performing BD simulations with a continuously increasing viscosity (computationally inefficient), we advocate performing simulations at a constant (low) viscosity and subsequently transform time (nonlinearly) for re-interpretation of the simulation results. So doing, one can predict the formation of particle structures during on-going solidification of the suspending medium. In practice, the viscosity increase is so drastic that further evolution of the particle structure can be considered as arrested after the characteristic transition-time of the viscosity is reached. Semi-quantitative rules of thumb are formulated for the 3D-printing practitioner.

Graphical Abstract
A Dynamic Soft Sensor Based on Hybrid Neural Networks to Improve Early Off-spec Detection
Authors: Hong Seokyoung , An Nahyeon , Cho Hyungtae , Lim Jongkoo , Han In-Su , Moon Il , Kim Junghwan
Published: July 2022

Soft sensors are widely used to predict hard-to-measure quality variables in industrial processes. For efficient quality control, prediction of quality dynamics is essential to prevent off-specification production in a process. Recently, dynamic soft sensors have been developed using machine learning techniques. Time-sequential information of quality variables is important to develop a robust dynamic model, but it is rarely considered in soft sensor modeling because there are insufficient data available to construct a time series of quality variables. Hence, we propose a hybrid sequence-to-sequence recurrent neural network-deep neural network (Seq2Seq RNN–DNN) to predict the quality dynamics for an early off-spec detection system. In the RNN unit, the encoder extracts the dynamic states of the process variables, and the decoder generates a time-relevant sequence to improve the long-term time-series prediction of sensor variables. Quality dynamics are then predicted using sensor variables in the DNN unit, trained using combined dataset consisting of offline analysis and simulation data to solve the problem of insufficient data. Finally, the effectiveness of the proposed networks is demonstrated using a 2,3-butanediol distillation process.
Clinical utility of the BIWACO score for patients with atrial fibrillation after percutaneous coronary intervention
Authors: Takeda Teruki , Dohke Tomohiro , Ueno Yoshiki , Mastui Toshiki , Fujii Masanori , Takayama Tomoyuki , Dochi Kenichi , Miyamoto Akashi , Mabuchi Hiroshi , Wada Atsuyuki
Published: July 2022

No predictive clinical risk scores for net adverse clinical events (NACE) have been developed for patients with atrial fibrillation (AF) after percutaneous coronary intervention (PCI). We evaluated NACE to develop clinically applicable risk-stratification scores in the Bleeding and thrombotic risk evaluation In patients With Atrial fibrillation under COronary intervention (BIWACO) study, a multicenter survey which has enrolled a total of 7837 patients. We also investigated the current status and time trends for the use of antithrombotic drugs. A total of 188 AF patients who had received PCI were examined. At discharge, 65% of patients were prescribed a triple therapy (TT), 6% were prescribed a dual therapy, the remaining 29% of patients received dual-antiplatelet therapy. After 4 years, the fraction of patients continuing TT decreased by 15%, whereas oral anticoagulant alone was only 2% of patients. NACE developed in 20% of patients, resulting in death in 5% of the patients, and the remaining 13% experienced bleeding events. We developed risk scores for NACE comprising the five strongest predictive items, which we designated BIWACO scores. The area under the curve was 0.774 for NACE. Our study explored the differences in treatment practices and guideline recommendations for antithrombotic therapy. We concluded that our BIWACO score is useful for predicting clinical outcomes in AF-patients after PCI.