bluuebunny/crossref_metadata_2025 huggingface dataset:
Near‐Unity Triplet Generation Promoted via Spiro‐Conjugation
Authors: Lv Meng , Lu Xicun , Jiang Yanrong , Sandoval‐Salinas María E. , Casanova David , Sun Haitao , Sun Zhenrong , Xu Jianhua , Yang Youjun , Chen Jinquan
Published: November 2021

An intersystem crossing (ISC) rate constant of 1.0×1011 s−1 was previously registered with a spiro‐bis‐benzophenone scaffold. Triplet generation efficiency could be further enhanced by stabilizing the spiro‐charge‐transfer (CT) state and rationally designing spiro‐compounds (SCTs) that consist of electron‐rich diphenyl ether as the spiro‐CT donor and electron‐deficient dinaphthyl ketone as the spiro‐CT acceptor. Through fine‐tuning of the energy level between the CT and high energy triplet states, near‐unity triplet generation quantum yield was achieved and the underlying ISC mechanism is revealed by using ultrafast spectroscopy and quantum chemical calculations. Potential triplet sensitizing application was demonstrated in SCTs. Our findings suggest that a spiro‐bichromophoric molecular system with an enhanced spiro‐charge transfer warrants efficient triplet generation and is a powerful strategy of heavy‐atom‐free triplet sensitizers with predictable ISC properties.
Assembly of Hexagonal Column Interpenetrated Spheres from Plant Polyphenol/Cationic Surfactants and Their Application as Antimicrobial Molecular Banks
Authors: Shen Yutan , Li Shikun , Qi Ruilian , Wu Chunxian , Yang Ming , Wang Jie , Cai Zhuojun , Liu Kaiang , Yue Jiling , Guan Bo , Han Yuchun , Wang Shu , Wang Yilin
Published: November 2021

Microbial infections have become a great threat to human health and one of the main risks arises from direct contact with the surfaces contaminated by pathogenic microbes. Herein, a kind of hexagonal column interpenetrated spheres (HCISs) are fabricated by non‐covalent assembly of plant gallic acid with quaternary ammonium surfactants. Different from one‐time burst release of conventional antimicrobial agents, the HCIS acts like a “antimicrobial molecular bank” and releases the antimicrobial ingredients in a multistage way, leading to long‐lasting antimicrobial performance. Taking advantage of strong hydrophobicity and adhesion, HCISs are applicable to various substrates and endowed with anti‐water washing property, thus showing high in vitro antimicrobial efficiency (>99 %) even after being used for 10 cycles. Meanwhile, HCISs exhibit broad‐spectrum antimicrobial activity against bacteria and fungi, and have good biocompatibility with mammalian cells. Such a low‐cost and portable long‐lasting antimicrobial agent meets the growing anti‐infection demand in public spaces.
A highly resilient and ultra‐sensitive hydrogel for wearable sensors
Authors: Luo Chunhui , Huang Min , Liu Hongmin
Published: November 2021

Conductive hydrogels have drawn increasing attention, but their applications are severely hindered due to insufficient sensitivities at tiny strains and poor recovery ratio upon external loads. Herein, a poly(vinyl alcohol)/aluminum sulfate composite hydrogel (T‐PVA‐Al) was designed to address this issue by introducing aluminum sulfate into poly(vinyl alcohol) aqueous solution, followed with three freezing–thawing cycles. The triply dynamic knots (hydrogen bonds, crystalline regions, and coordination interactions) worked in tandem to achieve high resilience (94% recovery ratio after 100 cycles) and fatigue resistance. Remarkably, the introduction of the immobile Al3+ cation and free sulfate (SO42−) anion endowed the T‐PVA‐Al hydrogel with outstanding sensitivity (a gauge factor=13.9, at 0.2% strain). It could precisely and quickly monitor external stress as low as 0.5 kPa, superior to most conductive hydrogels. Notably, the hydrogel sensor possessed the capacity to precisely and reliably detect subtle variations, for example, gentle finger touching, making it an ideal candidate for human‐motion detections, artificial skins, and wearable devices.
Detection of catecholamine metabolites in urine based on ultra‐high‐performance liquid chromatography–tandem mass spectrometry
Authors: Li Hui , Zhang Guolei , Wang Wei , Jiao Li‐Li , Chen Chang‐Bao , Huo Jing‐Rui , Wu Wei
Published: November 2021

The excretion of neurotransmitter metabolites in normal individuals is of great significance for health monitoring. A rapid quantitative method was developed with ultra‐performance liquid chromatography–tandem mass spectrometry. The method was further applied to determine catecholamine metabolites vanilymandelic acid (VMA), methoxy hydroxyphenyl glycol (MHPG), dihydroxy‐phenyl acetic acid (DOPAC), and homovanillic acid (HVA) in the urine. The urine was collected from six healthy volunteers (20–22 years old) for 10 consecutive days. It was precolumn derivatized with dansyl chloride. Subsequently, the sample was analyzed using triple quadrupole mass spectrometry with an electrospray ion in positive and multireaction monitoring modes. The method was sensitive and repeatable with the recoveries 92.7–104.30%, limits of detection (LODs) 0.01–0.05 μg/mL, and coefficients no less than 0.9938. The excretion content of four target compounds in random urine samples was 0.20 ± 0.086 μg/mL (MHPG), 1.27 ± 1.24 μg/mL (VMA), 3.29 ± 1.36 μg/mL (HVA), and 1.13 ± 1.07 μg/mL (DOPAC). In the urine, the content of VMA, the metabolite of norepinephrine and adrenaline, was more than MHPG, and the content of HVA, the metabolite of dopamine, was more than DOPAC. This paper detected the levels of catecholamine metabolites and summarized the characteristics of excretion using random urine samples, which could provide valuable information for clinical practice.
Janus kinases restrain chronic lymphocytic leukemia cells in patients on ibrutinib: Results of a phase II trial
Authors: Spaner David E. , Luo Yuxuan , Wang Guizhei , Gallagher Jennifer , Tsui Hubert , Shi Yonghong
Published: November 2021

Preclinical observations that killing of chronic lymphocytic leukemia (CLL) cells was dexamethasone (DEX) were enhanced by concomitant inhibition of Bruton’s tyrosine kinase and janus kinases (JAKs) motivated a phase II trial to determine if clinical responses to ibrutinib could be deepened by DEX and the JAK inhibitor ruxolitinib. Patients on ibrutinib at 420 mg daily for 2 months or with abnormal serum β2M levels after 6 months or with persistent lymphadenopathy or splenomegaly after 12 months were randomized to receive DEX 40 mg on days 1–4 of a 4‐week cycle for six cycles alone (three patients) or with ruxolitinib 15 mg BID on days 1–21 of each cycle (five patients). Ruxolitinib dosing was based on a previous phase I trial. Steroid withdrawal symptoms and significantly decreased serum IgG levels occurred in all patients regardless of their exposure to ruxolitinib. A fatal invasive fungal infection was seen in a patient taking DEX without ruxolitinib. Complete responses anticipated with addition of ruxolitinib were not seen. Gene expression studies suggested ruxolitinib had turned off interferon signaling in CLL cells and turned on genes associated with the activation of NFκB by TNF‐α. Ruxolitinib increased blood levels of TNF‐α by cycle 3 and decreased the inhibitory cytokine IL‐10. These results suggest ruxolitinib releases activating signals for CLL cells that persist in patients on ibrutinib. This inhibitory JAK signaling may contribute to the therapeutic activity of ibrutinib. Thus JAK inhibitors provide no added value with ibrutinib for disease control and should be used with caution in CLL patients. Combining glucocorticoids with ibrutinib may increase the risk of serious infects.
Machine Learning Enabled Screening of Single Atom Alloys: Predicting Reactivity Trend for Ethanol Dehydrogenation
Authors: Kumar Amrish , Iyer Jayendran , Jalid Fatima , Ramteke Manojkumar , Khan Tuhin S. , Haider M. Ali
Published: November 2021

A machine learning (ML) approach implementing the gradient boosting regressor (GBR) algorithm is applied to predict the binding energies of oxygen (EO) and carbon (EC) atoms on single atom alloys (SAAs) of Cu, Ag and Au. Readily available periodic properties of the transition metals are utilized as input features in the model. Their relative contribution in adsorbate‐metal interaction is assessed to develop a comprehensive descriptor. In test runs, the ML model is observed to predict EO and EC with significantly reduced errors (∼0.2 eV). Further, ML approach is augmented with an ab initio microkinetic model (MKM) for non‐oxidative dehydrogenation (NODH) of ethanol. The ML‐MKM is calculated to yield higher turnover frequency for ethanol conversion on NiAu, NiAg, and PtAg SAAs as compared to their monometallic counterparts Au and Ag catalysts. Overall, the ML model provides a rationale for feature selection to synthesize catalytically active SAAs of group 11 elements using fast‐track in silico screening.
Efficient Site‐Selective Immobilization of Aldehyde‐Tagged Peptides and Proteins by Knoevenagel Ligation
Authors: Janson Nils , Heinks Tobias , Beuel Tobias , Alam Sarfaraz , Höhne Matthias , Bornscheuer Uwe T. , Fischer von Mollard Gabriele , Sewald Norbert
Published: November 2021

The aldehyde tag is appropriate to selectively label proteins, prepare antibody‐drug conjugates or to immobilize enzymes or antibodies for biotechnological and medical applications. The cysteine within the consensus sequence CxPxR of the aldehyde tag is specifically oxidized by the formylglycine‐generating enzyme (FGE) to the non‐canonical and electrophilic amino acid Cα‐formylglycine (FGly). Subsequent reductive amination is a common method for site‐directed immobilization, which usually results in poor immobilization efficiency due to the reaction conditions. Here, we introduce a new solid support like agarose modified with an aryl substituted pyrazolone (Knoevenagel reagent) that was obtained in a facile and efficient 2‐step synthesis. The modified agarose allowed the site‐selective and efficient immobilization of aldehyde‐containing small molecules, peptides and proteins – in particular enzymes – at physiological pH (6.2–8.2) without any additive or catalyst needed. In comparison to reductive amination, higher loadings and activities were achieved in various buffers at different concentrations and temperatures.
Steric Repulsion Induced Conformational Switch in Supramolecular Structures
Authors: Norvaiša Karolis , Maguire Sophie , Donohoe Claire , O'Brien John E. , Twamley Brendan , Gomes‐da‐Silva Ligia C. , Senge Mathias O.
Published: November 2021

Inspired by the rigidified architecture of ‘picket‐fence’ systems, we propose a strategy utilizing strain to impose intramolecular tension in already peripherally overcrowded structures leading to selective atropisomeric conversion. Employing this approach, tuneable shape‐persistent porphyrin conformations were acquired exhibiting distinctive supramolecular nanostructures based on the orientation of the peripheral groups. The intrinsic assemblies driven by non‐covalent bonding interactions form supramolecular polymers while encapsulating small molecules in parallel channels or solvent‐accessible voids. The developed molecular strain engineering methodologies combined with synthetic approaches have allowed the introduction of the pivalate units creating a highly strained molecular skeleton. Changes in the absorption spectrum indicated the presence of severe steric repulsions between the peripheral groups which were confirmed by single crystal X‐ray analysis. To release the steric strain introduced by the peripheral units, thermal equilibration strategies were used to selectively convert the most abundant atropisomer to the desirable minor one.
Tris(tetramethylguanidinyl)phosphine: The Simplest Non‐ionic Phosphorus Superbase and Strongly Donating Phosphine Ligand
Authors: Buß Florenz , Röthel Maike B. , Werra Janina A. , Rotering Philipp , Wilm Lukas F. B. , Daniliuc Constantin G. , Löwe Pawel , Dielmann Fabian
Published: November 2021

We report the synthesis and properties of the much sought‐after tris(1,1,3,3‐tetramethylguanidinyl) phosphine P(tmg)3, a crystalline, superbasic phosphine accessible through a short and scalable procedure from the cheap and commercially available bulk chemicals 1,1,3,3‐tetramethylguanidine, tris(dimethylamino)‐phosphine and phosphorus trichloride. The new phosphine exhibits exceptional electron donor properties and readily forms transition metal complexes with gold(I), palladium(II) and rhodium(I) precursors. The formation of zwitterionic Lewis base adducts with carbon dioxide and sulfur dioxide was explored. In addition, the complete series of phosphine chalcogenides was prepared from the reaction of P(tmg)3 with N2O and the elemental chalcogens.
Total Synthesis of Pulvomycin D
Authors: Fritz Lukas , Wienhold Sebastian , Hackl Sabrina , Bach Thorsten
Published: November 2021

A synthetic route to the pulvomycin class of natural products is presented, which culminated in the first synthesis of a pulvomycin, pulvomycin D. Key elements of the strategy include a pivotal aldol reaction which led to bond formation between the C24‐C40 and the C8‐C23 fragment. The remaining C1‐C7 fragment was attached by a Yamaguchi esterification completing the assembly of the 40 carbon atoms within the main skeleton. Ring closure to the 22‐membered lactone ring was achieved in the final stages of the synthesis by a Heck reaction. The completion of the synthesis required the removal of six silyl protecting groups in combination with olefin formation at C26‐C27 by a Peterson elimination.
Papillary thyroid carcinoma tall cell variant shares accumulation of mitochondria, mitochondrial DNA mutations, and loss of oxidative phosphorylation complex I integrity with oncocytic tumors
Authors: Tsybrovskyy Oleksiy , De Luise Monica , de Biase Dario , Caporali Leonardo , Fiorini Claudio , Gasparre Giuseppe , Carelli Valerio , Hackl Dominik , Imamovic Larisa , Haim Silke , Sobrinho‐Simões Manuel , Tallini Giovanni
Published: November 2021

Papillary thyroid carcinoma tall cell variant (PTC‐TCV), a form of PTC regarded as an aggressive subtype, shares several morphologic features with oncocytic tumors. Pathogenic homoplasmic/highly heteroplasmic somatic mitochondrial DNA (mtDNA) mutations, usually affecting oxidative phosphorylation (OXPHOS) complex I subunits, are hallmarks of oncocytic cells. To clarify the relationship between PTC‐TCV and oncocytic thyroid tumors, 17 PTC‐TCV and 16 PTC non‐TCV controls (cPTC) were subjected to: (1) transmission electron microscopy (TEM) to assess mitochondria accumulation, (2) next‐generation sequencing to analyze mtDNA and nuclear genes frequently mutated in thyroid carcinoma, and (3) immunohistochemistry (IHC) for prohibitin and complex I subunit NDUFS4 to evaluate OXPHOS integrity. TEM showed replacement of cytoplasm by mitochondria in PTC‐TCV but not in cPTC cells. All 17 PTC‐TCV had at least one mtDNA mutation, totaling 21 mutations; 3/16 cPTC (19%) had mtDNA mutations (p < 0.001). PTC‐TCV mtDNA mutations were homoplasmic/highly heteroplasmic, 16/21 (76%) mapping within mtDNA‐encoded complex I subunits. MtDNA mutations in cPTC were homoplasmic in 2 cases and at low heteroplasmy in the third case, 2/3 mapping to mtDNA‐encoded complex I subunits; 2/3 cPTC with mtDNA mutations had small tall cell subpopulations. PTC‐TCV showed strong prohibitin expression and cPTC low‐level expression, consistent with massive and limited mitochondrial content, respectively. All 17 PTC‐TCV showed NDUFS4 loss (partial or complete) and 3 of 16 cPTC (19%) had (partial) NDUFS4 loss, consistent with lack of complex I integrity in PTC‐TCV (p < 0.001). IHC loss of NDUFS4 was associated with mtDNA mutations (p < 0.001). Four BRAF V600E mutated PTCs had loss of NDUSF4 expression limited to neoplastic cell subpopulations with tall cell features, indicating that PTCs first acquire BRAF V600E and then mtDNA mutations. Similar to oncocytic thyroid tumors, PTC‐TCV is characterized by mtDNA mutations, massive accumulation of mitochondria, and loss of OXPHOS integrity. IHC loss of NDUFS‐4 can be used as a surrogate marker for OXPHOS disruption and to reliably diagnose PTC‐TCV.
Insulating Polymers as Additives to Bulk‐Heterojunction Organic Solar Cells: The Effect of Miscibility
Authors: Liu Chunhui , Xiao Chengyi , Xie Chengcheng , Zhu Qinglian , Chen Qiaomei , Ma Wei , Li Weiwei
Published: November 2021

Adding insulating polymers to conjugated polymers is an efficient strategy to tailor their mechanical properties for flexible organic electronics. In this work, we selected two insulating polymers as additives for high‐performance photoactive layers and investigated the mechanical and photovoltaic properties in organic solar cells (OSCs). The insulating polymers were found to reduce the electron mobilities in the photoactive layers, and hence the power conversion efficiencies were significantly decreased. More importantly, we found that the insulating polymers exhibited negative effect on the mechanical properties of the photoactive layers, with reduced Young's modulus and low crack onset strains. Further studies revealed that the insulating polymers had poor miscibility with the photoactive layers, providing large domains and more cavities in blend thin films, which act as negative effect for the tensile test. The studies indicate that rational selection of insulating polymers, especially enhancing the non‐covalent interaction with the photoactive layers, will be critically important for the stretchable OSCs.
Oral function is associated with the body and muscle mass indices of middle‐aged dental patients
Authors: Nishi Tomotaka , Ohta Midori , Takano Tomofumi , Ogami Koichiro , Ueda Takayuki , Sakurai Kaoru
Published: November 2021

Objectives

Undernutrition is associated with frailty, one of the common reasons for seeking long‐term care. In older adults, nutritional status is known to be associated with oral function; however, it is not yet known if there is a similar association in middle‐aged adults. The present study determined the association between nutritional status and oral function in middle‐aged adults.

Material and methods

This cross‐sectional study was conducted in 117 outpatients aged 40–64 years who underwent dental check‐up at a private dental clinic. Factors associated with oral function, including oral moisture, number of teeth present, oral diadochokinesis, tongue pressure, lip‐seal strength, and masticatory performance, were evaluated. Body mass index (BMI), fat‐free mass index (FFMI), and skeletal muscle mass index (SMI) were analyzed as nutritional statuses. Pearson's correlation analysis was conducted to determine the correlation between nutritional statuses and other variables. Multiple linear regression analysis was performed, with adjustment for age and sex, using BMI, FFMI, or SMI as response variables and oral moisture, maximum tongue pressure, lip‐seal strength, oral diadochokinetic rate, and masticatory performance as explanatory variables.

Results

All nutritional statuses showed significant correlation with maximum tongue pressure and lip‐seal strength. Multiple linear regression analysis revealed that BMI was associated with maximum tongue pressure and lip‐seal strength, whereas FFMI and SMI showed significant association with sex, maximum tongue pressure, and lip‐seal strength.

Conclusions

In middle‐aged outpatients at a regional dental clinic, lip‐seal strength and tongue pressure were positively associated with BMI, FFMI, and SMI.
Bring your mission to life through intentional, evaluated online course development
Authors: Sutton Halley
Published: November 2021

When Royce Robertson took a position as Director of Academic Technology at Le Moyne University, a Jesuit institution, it was the first time in his more than two decades in higher education that he'd worked for a faith‐based institution. “They're so welcoming and open about articulating their mission beyond an institution's typical mission statement,” Robertson said. He found himself intrigued and wanting to understand more clearly the nuances of the Jesuit mission.
Discovery of c.577del in EPO: Investigations into endogenous EPO double‐band detected in blood with SAR‐PAGE
Authors: Zhou Xinmiao , He Sen , Zezhou Li , Jiayu Wang , Zhou Wen , Liu Xinchao , Zhao Meiping , Zhang Lisi
Published: November 2021

Recently, some athletes were repetitively found to have rEPO positive results, including a characterized double‐band pattern in blood samples, in routine doping analysis. In contrast to previous findings from excretion studies, this double‐band pattern showed the same relative intensity even when the samples were collected weeks (/months) apart. We therefore suspected that these “positive” doping control samples were related with a novel pathway of endogenous EPO production. Thus, follow‐up investigations were warranted to characterize the origin of such analytical test results and to avoid the issuing of adverse analytical findings in the absence of rEPO by identifying the root cause of these “constantly positives.” In this study, we designed and conducted a series of causal studies, including population screening of EPO profiles, exploration of EPO de‐N‐glycosylation, single nucleotide polymorphism (SNP) browsing in EPO, sequencing of EPO exons, genealogical analysis of the c.577del EPO variant, and finally expression and investigation of mutant EPO. In summary, we found that these “constantly positives” were related to endogenous EPO production associated with the c.577del EPO variant. The frequency of this variant was 0.39% in our Chinese population pool. The mutant EPO encoded by this variant is 27 amino acids longer than the wild‐type. The molecular weight of this mutant EPO is approximately the same as that of rEPO, exhibiting a similar electrophoretic behavior. To prevent charges against carriers of the c.577del variant, a revised rEPO testing strategy has been implemented in the new version of TD EPO.
Double (W1/O/W2) and Simple (O/W2) Emulsions Prepared with Soybean Flour Dispersion and Vegetable Fat: Partial Coalescence Promotion by Polyglycerol Polyricinoleate and Calcium
Authors: Rando María S. , Palazolo Gonzalo G. , Márquez Andrés L.
Published: November 2021

The objective is to study the partial coalescence process in calcium‐fortified double (W1/O/W2) and simple (O/W2) emulsions prepared with soybean flour dispersion as continuous aqueous (W2) phase and vegetable fat plus polyglycerol polyricinoleate (PGPR) as lipophilic emulsifier (at varied concentration) in lipid phase. Calcium chloride is included in the dispersed aqueous (W1) phase and the W2 phase of W1/O/W2 and O/W2 emulsions, respectively. No partial coalescence is observed in the O/W2 emulsion without PGPR and calcium, while the inclusion of the emulsifier and/or divalent cation promotes the phenomenon. The presence of PGPR in lipid phase or calcium in W2 phase can enhance capture efficiency because of the decrease of electrostatic and steric repulsions between fat globules, the modification of fat crystals, and/or the increased size of individual globules. W1/O/W2 emulsions show a lower partial coalescence degree in comparison to O/W2 emulsions prepared with the same components, attributed to the isolation of a fraction of added calcium in the W1 phase of the former systems. PGPR produces microstructural and rheological changes over time in emulsions subjected to prolonged cold storage; but its effect is reduced in the presence of calcium, probably because of the formation of stronger globule aggregates.

Practical applications: This article deals with two parallel phenomena occurring in W1/O/W2 and O/W2 emulsions prepared with soybean flour dispersion as W2 phase and vegetable fat in lipid phase: the promotion of partial coalescence by the lipophilic emulsifier, PGPR; and the aggregation of proteins and fat globules due to the presence of calcium in W2 phase. In this way, the effects of PGPR and/or calcium on partial coalescence are studied in these systems, analyzing their microstructure and rheology. The encapsulation of calcium within the W1 phase of W1/O/W2 emulsions and its impact on partial coalescence is also analyzed. The results obtained in this work can be relevant for the formulation of calcium‐fortified, vegetable food emulsions, showing a texture similar to whipped dairy cream, where PGPR concentration or calcium release can be controlled to adjust the rheological characteristics of the system.
Emerging on‐chip electrokinetic based technologies for purification of circulating cancer biomarkers towards liquid biopsy: A review
Authors: Shi Leilei , Esfandiari Leyla
Published: November 2021

Early detection of cancer can significantly reduce mortality and save lives. However, the current cancer diagnosis is highly dependent on costly, complex, and invasive procedures. Thus, a great deal of effort has been devoted to exploring new technologies based on liquid biopsy. Since liquid biopsy relies on detection of circulating biomarkers from biofluids, it is critical to isolate highly purified cancer‐related biomarkers, including circulating tumor cells (CTCs), cell‐free nucleic acids (cell‐free DNA and cell‐free RNA), small extracellular vesicles (exosomes), and proteins. The current clinical purification techniques are facing a number of drawbacks including low purity, long processing time, high cost, and difficulties in standardization. Here, we review a promising solution, on‐chip electrokinetic‐based methods, that have the advantage of small sample volume requirement, minimal damage to the biomarkers, rapid, and label‐free criteria. We have also discussed the existing challenges of current on‐chip electrokinetic technologies and suggested potential solutions that may be worthy of future studies.
3D printing of anisotropic Sm–Fe–N nylon bonded permanent magnets
Authors: Gandha Kinjal , Paranthaman M. P. , Sales Brian C. , Wang Haobo , Dalagan Adrian , Lamichhane Tej N. , Parker David S. , Nlebedim Ikenna C.
Published: November 2021

Fabricating a bonded magnet with a near‐net shape in suitable thermoplastic polymer binders is of paramount importance in the development of cost‐effective energy technologies. In this work, anisotropic Sm2Fe17N3 (Sm–Fe–N) bonded magnets are additively printed using SmFeN anisotropic magnetic particles in a polymeric binder polyamide‐12 (PA12). The anisotropic SmFeN bonded magnets are fabricated by Big Area Additive Manufacturing followed by post‐printing alignment in a magnetic field. Optimal post‐alignment results in an enhanced remanence of ∼0.68 T in PA12 reflected in a parallel‐oriented (aligned) measured direction. The maximum energy product achieved for the additively printed anisotropic bonded magnet of Sm–Fe–N in PA12 polymer is 78.8 KJ m−3. Our results show advanced processing flexibility with 3D printing of the development of SmFeN nylon bonded magnets designed for applications with no critical rare earth magnets.
Poly- and Perfluorinated Alkyl Substances in Air and Water from Dhaka, Bangladesh
Authors: Morales-McDevitt Maya E. , Dunn Matthew , Habib Ahsan , Vojta Simon , Becanova Jitka , Lohmann Rainer
Published: November 2021

Bangladesh hosts extensive textile manufacturing, for some of which per- and polyfluorinated alkyl substances (PFAS) have been used to impart water and dirt repellency, among other things. Textile waste emissions to the atmosphere and discharge into rivers and other bodies of water could present a significant concern for human and ecosystem health, but there is little information on PFAS in Bangladesh. To assess the presence of ionic PFAS and their precursors in air and water from Dhaka, Bangladesh, polyethylene sheets were deployed for 28 days as passive samplers for neutral PFAS in outdoor air and water, while ionic PFAS were measured from discrete water grabs. Fluorotelomer alcohols (FTOHs) were detected at almost all sites in air and water; the most frequently detected compound was 6:2 FTOH, ranging from below instrumental detection limits (<IDL) to 70 ng m−3 in air and from <IDL to −19 ng L−1 in water. Of the ionic PFAS, perfluorobutanoic acid (PFBA), perfluorohexanoic acid, perfluorooctanoic acid, perfluorohexane sulfonic acid, and perfluorooctane sulfonic acid dominated in frequency of detection and magnitude, with concentrations ranging from 1.8 to 19.0 ng L−1 in surface waters. The prevalence of 6:2 FTOH and PFBA across sites probably reflects their use in textile manufacturing and could indicate the industry's switch to shorter-chain PFAS alternatives. Environ Toxicol Chem 2022;41:334–342. © 2021 SETAC

Abstract

Concentration of PFAS in air and water from Dhaka Bangladesh during winter (January–March) of 2020. Water concentrations were obtained from discrete water grabs, while air concentrations were derived from polyethylene (PE) passive sampling. FTS = fluorotelomer sulfonate; PFCA = perfluorocarboxylic acid; PFSA = perfluorosulfonic acid.
Native Fish Need A Natural Flow Regime
Authors: Pennock Casey A , Budy Phaedra , Macfarlane William W , Breen Matthew J , Jimenez Justin , Schmidt John C
Published: November 2021

Water development has threatened the ecological integrity of riverine ecosystems. Increasing water demand, persistent drought, and climate change exacerbate the effects of habitat degradation and loss in altered systems such as the Colorado River basin. Today, biologists are challenged to identify management actions that benefit native fishes while not hindering water development or management. Herein, we discuss the importance of the natural flow regime for functioning riverine ecosystems and provide examples from four tributaries to the Green River, a major headwater branch of the Colorado River. These tributaries represent a gradient of impacts ranging from water abstraction to the point of complete seasonal desiccation to a relatively natural flow regime, and consequently have maintained different levels of instream habitat complexity and native fish persistence. Despite decades of management, endangered species lack self-sustaining populations and other native species have been extirpated from over half their ranges, which begs the question: can water development and fish conservation be balanced under current water laws and climate change-driven declines in runoff? Given the continued decline in freshwater biodiversity and abundance occurring across the globe, we contend that immediate designation of rivers with natural flow regimes as freshwater conservation areas will enhance native species recovery.
A Markov regime‐switching Cholesky GARCH model for directly estimating the dynamic of optimal hedge ratio
Authors: Lee Hsiang‐Tai
Published: November 2021

A Markov regime‐switching Cholesky GARCH (RSCHAR) model is proposed for directly estimating the optimal hedge ratio. The basic structure of RSCHAR is to transform the original series into a vector of orthogonal factors using Cholesky decomposition and fit these factors with regime‐switching dynamics. RSCHAR specifies directly the regime‐switching dynamic of conditional hedge ratio instead of recovering it indirectly from the estimated conditional covariance matrix. An estimation procedure is proposed for estimating RSCHAR. The empirical results reveal that RSCHAR exhibits superior effectiveness for multiple futures hedging based on the criterion of variance reduction, lower partial moment, and model confidence set.
Basal ganglia atrophy–associated causal structural network degeneration in Parkinson's disease
Authors: Li Rong , Zou Ting , Wang Xuyang , Wang Hongyu , Hu Xiaofei , Xie Fangfang , Meng Li , Chen Huafu
Published: November 2021

Parkinson's disease (PD) is a progressive neurodegenerative disease characterized by both motor and non‐motor symptoms. A convergent pathophysiological hallmark of PD is an early selective vulnerability within the basal ganglia circuit. However, the causal interactions between basal ganglia atrophy and progressive structural network alterations in PD remain unaddressed. Here, we adopted voxel‐based morphometry method to measure gray matter (GM) volume for each participant (n = 84 PD patients and n = 70 matched healthy controls). Patients were first divided into three stages according to the Hoehn and Yahr (H&Y) and the Part III of Unified Parkinson's Disease Rating Scale scores respectively to analyze the stage‐specific GM atrophy patterns. Then, the modulation of early caudate atrophy over other brain structures was evaluated using the whole‐brain voxel‐wise and region‐of‐interest‐wise causal structural covariance network approaches. We found that GM atrophy progressively expands from the basal ganglia to the angular gyrus, temporal areas, and eventually spreads through the subcortical–cortical networks as PD progresses. Notably, we identified a shared caudate‐associated degeneration network including the basal ganglia, thalamus, cerebellum, sensorimotor cortex, and cortical association areas with the PD progressive factors. These findings suggest that the early structural vulnerability of basal ganglia in PD may play a pivotal role in the modulation of motor and non‐motor circuits at the structural level. Our work provides evidence for a novel mechanism of network degeneration that underlies the pathology of PD and may have potential clinical applications in the development of early predictors of PD onset and progress.
Efficacy of marine bioactive compound fucoidan for bone regeneration and implant fixation in sheep
Authors: Nielsen Mads Suhr , Mikkelsen Maria Dalgaard , Ptak Signe Helle , Hejbøl Eva Kildall , Ohmes Julia , Thi Thuan Nguyen , Nguyen Ha Vy Tran , Fretté Xavier , Fuchs Sabine , Meyer Anne , Schrøder Henrik Daa , Ding Ming
Published: November 2021

The need for a substitute for allograft and autograft is rising as bone graft surgeries exceed available supplies. We investigated the efficacy of the low‐molecular weight marine bioactive compound fucoidan (FUC) on bone regeneration and implant fixation in seven female sheep, as FUC has shown great promise as a bone substitute. Titanium implants were inserted bilaterally in the distal femurs to test three hydroxyapatite/fucoidan (HA/FUC) groups and compared to allograft. The HA was coated with either 500 or 1500 μg of FUC, obtained by microwave‐assisted chemical extraction, or 500 μg of FUC obtained by an enzyme‐assisted extraction method. The concentric 2‐mm gap around the implant was filled with either one of the HA/FUCs or allograft from the donor sheep. After 12 weeks, implant–bone blocks were harvested and divided into three parts for mechanical push‐out testing, immunohistochemistry, and micro‐CT and histomorphometry. Pronounced bone formations were observed by micro‐CT and histomorphometry in all groups, but higher bone volume fractions were seen in the allograft group compared to the three HA/FUC groups. The trabecular thickness, trabecular separation, and architectural anisotropy were all significantly higher in the allograft group compared to the three HA/FUC groups. In conclusion, adequate bone formation was observed in all groups, although the bone formation was significantly greater in the allograft group. Also, no significant differences existed in the shear mechanical properties between groups, suggesting that the combination of HA and FUC can achieve a similar fixation strength to allograft in this model.
Caffeic acid phenethyl ester mitigates infertility: A crucial role of metalloproteinase and angiogenic factor in cadmium‐induced testicular damage
Authors: Abdallah Eman A. A. , El‐Refaei Mohamed F.
Published: November 2021

Cadmium (Cd) is expected to cause deleterious effects on most organs, especially on the male reproductive system. The current study was performed to assess the effect of Cd on fertility in Swiss mice and to evaluate the protective role of caffeic acid phenethyl ester (CAPE) in relieving the detrimental effect of Cd. The mice were divided into four groups of 10: normal Group I received distilled water. Group II, III, and IV were injected 3 mg/kg body weight with Cd intraperitoneally for four consecutive days. Group III received saline. Group IV was treated with 3 mg/kg/day CAPE intraperitoneally for 6 days. Results indicated that CAPE brings about a highly significant improvement in fertility parameters, spermatogenesis, and reduced apoptotic percent. Moreover, metalloprotease‐3 (MMP‐3) and vascular endothelial growth factor reduced significantly. Overall, our results strongly suggest that CAPE has a protective effect, counteracts the toxic effects of Cd, and prevents testicular injury.
Use of conditional medical orders to minimize moral, ethical, and legal risk in critical care
Authors: Stuart Richard B , Birchfield George , Little Timothy E , Wetstone Susan , McDermott James
Published: November 2021

Risk managers and ethicists monitor adherence to codes of conduct in the delivery of medical services and proactively participate with providers to create protocols that minimize the moral, ethical, and legal risks inherent in many commonly used medical protocols. “Code/no code” medical orders work well for patients at the extremes who always or never want to undergo a procedure, but they create troubling uncertainties for others by preventing them from expressly requesting procedures under some circumstances but not others. Obeying binary orders such as DNAR (Do Not Attempt Resuscitation) can allow deaths that a patient might want to delay or can expose patients to prolonged suffering they wish to avoid. These risks can be reduced by: (1) fully explaining the nature of proposed interventions and their possible beneficial and adverse effects in varying circumstances; and (2) replacing the traditional dichotomy with a continuum of options from always, through conditionally sometime, to never orders adapted to a range of situations and preferences. The Conditional Medical Orders (CMO) form summarizes patients’ preferences regarding resuscitation, ventilation, and artificial hydration and nutrition (ANH) is an efficient way to increases the chance that patients will undergo only the treatments they want.
Intimate partner aggression and work: An interdisciplinary review and agenda for future research
Authors: Deen Catherine Midel , He Yaqing , Gregg Heath , Restubog Simon Lloyd D. , O'Leary‐Kelly Anne
Published: November 2021

Intimate partner aggression (IPA) is a social issue that affects the workplace. While IPA has been relatively ignored by management scholars due to notions that it is a private domestic matter, recent research offers mounting evidence of its spillover effects at work, including consequences for victims, perpetrators, coworkers, and organizations. To date, scholarly research on IPA and work has been impeded because existing research is scattered across disciplines with differing conceptualizations and emphasis. This integrative review aims to clarify the constructs of IPA and work‐related IPA (WIPA), summarize existing IPA and work research, integrate prior studies to offer a nomological network of antecedents and consequences of IPA victimization and perpetration, and propose specific recommendations that can further stimulate scholarly attention on this important research area.
Toward a more political perspective of leader effectiveness: Leader political support construct validation
Authors: Ellen B. Parker , Ferris Gerald R. , Buckley M. Ronald
Published: November 2021

Organizations long have been referred to as political arenas which leaders must navigate with skill and savvy. However, investigations of the role of leader political behavior on leader effectiveness largely have been avoided, perhaps due to historically negative connotations of organizational politics. Recently, a base of conceptual literature has begun to grow regarding the positive possibilities of organizational politics, including the potential benefits followers may reap from leaders' political support. However, empirical research testing the theoretical tenets of leader political support (LPS) is lacking. Thus, the purpose of this investigation was to advance a more political perspective of leader effectiveness by developing and validating a psychometrically sound measure of LPS. Using a multi‐phase, six‐sample approach, we provide evidence of content validity, internal consistency, convergent validity, discriminatory validity, and criterion‐related validity of our measure of LPS. These findings advance knowledge by demonstrating that leaders' political behavior contributes to their effectiveness across a number of different conceptualizations. Additionally, the validation of the construct facilitates future research on LPS that can further evaluate its importance for leaders and their followers.
Intrinsic and extrinsic attributes related to the influence of growing altitude on consumer acceptability and sensory perception of fresh apple
Authors: Cantin Celia M , Gracia Azucena
Published: November 2021

BACKGROUND

Growing altitude might have an effect on the quality of fresh apple and therefore on the perception of sensory attributes and on acceptance by consumers. On the other hand, extrinsic information provided to the consumer might affect consumer acceptability and sensory perception of the fruit's main quality traits. The main objective of this work was to study the effect of the growing altitude on the physico‐chemical attributes (soluble solid content (SSC), flesh firmness, fruit weight (g), and titratable acidity (TA)), consumer acceptability, and perception of the main sensory attributes (sweetness, acidity and texture) of two reference apple cultivars (‘Golden D.’ and ‘Reineta’) by using a panel of 195 consumers. A secondary objective was to study whether extrinsic information about cultivar and growing place have an effect on the consumer perception and acceptance of fresh apple.

RESULTS

Significant effects on physico‐chemical and sensory attributes were found for ‘Golden D.’ and ‘Reineta’ apple cultivars due to the growing altitude, and they were perceived by consumers. Moreover, extrinsic information about the cultivar and the growing site influenced consumers' sensory perceptions significantly.

CONCLUSIONS

This work demonstrated that differences between apple fruit grown at different altitudes can be perceived by consumers. We demonstrated the importance of providing consumers with information about the cultivar and the growing place to increase their acceptance and support local produce. © 2021 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Pelagic tunicate grazing on marine microbes revealed by integrative approaches
Authors: Sutherland Kelly R. , Thompson Anne W.
Published: November 2021

Marine microorganisms comprise a large fraction of ocean carbon and are central players in global biogeochemical cycling. Significant gaps remain, however, in our understanding of processes that determine the fate, distribution, and community structure of microbial communities. Protists and viruses are accepted as being part of the microbial loop and a source of microbial mortality. However, pelagic tunicates (salps, doliolods, pyrosomes, and appendicularians), which are abundant in oceanic and coastal environments and consume microorganisms with higher individual grazing rates than other common grazers, remain underappreciated in their role controlling microbial communities, distributions, and flux through ecosystems. In spite of sampling challenges owing to their fragile nature and patchy distributions, recent developments in methodology have deepened understanding of grazing rates and selectivity of these ubiquitous grazers. Next‐generation sequencing, quantitative polymerase chain reaction, high‐resolution videography, improved microscopy, biomarkers, and in situ approaches are transforming our knowledge on the role of pelagic tunicates in determining the fate and function of microbial communities. Here, we review recent research on pelagic tunicate grazing with a focus on newer methodologies and their application across pelagic tunicate taxa. Synthesis of these studies points to a major role for pelagic tunicates in the control of marine microbial communities. Comparisons between pelagic tunicate taxa indicate important differences in prey selectivity, which will impact how these grazers are incorporated into global models. Application and integration of these methods will produce continued insights with the ultimate goal of illuminating the unique role of pelagic tunicates in the microbial loop and biological pump.
Complications in oncologic mandible reconstruction: A comparative study between the osteocutaneous radial forearm and fibula free flap
Authors: Le John M. , Morlandt Anthony B. , Gigliotti Jordan , Park Earl P. , Greene Benjamin J. , Ying Yedeh P.
Published: November 2021

Background

The osteocutaneous radial forearm free flap (OC‐RFFF) has been proposed as a safe and reliable free flap for head and neck reconstruction with low donor site morbidity. The purpose of this study is to compare the late complications (>30 days) associated with using the OC‐RFFF versus the free fibula flap (FFF) for mandibular reconstruction following oncologic segmental resection.

Methods

We conducted a single‐institution, retrospective study composed of patients who underwent oncologic microvascular composite mandibular reconstruction with either the OC‐RFFF or FFF. The primary predictor variable was the type of free flap used. The outcome variable was late complication postoperatively (>30 days).

Results

A total of 93 patients (28, OC‐RFFF and 65, FFF) were analyzed. The majority of patients were male (62%) and with AJCC stage T4a disease (72%). Mean hospital length of stay was comparable between the two flap groups (p = .50). OC‐RFFF was associated with more late complications (p = .03) compared to FFF. Nonunion occurred in 10.7% of OC‐RFFF and 0% of FFF. Partial or complete flap failure was seen in 7.1% and 0% in the OC‐RFFF and FFF, respectively. Two‐year disease‐free survival was comparable in both groups (p > .05).

Conclusions

The results of this study suggest that the rate of nonunion and odds of having a late complication were significantly greater in the OC‐RFFF compared to the FFF following oncologic mandibular reconstruction. However, flap success, early complications (<30 days), and length of hospital stay were comparable between the two flaps.