bluuebunny/crossref_metadata_2025 huggingface dataset:
Low back pain and telecommuting in Japan: Influence of work environment quality
Authors:   CORoNaWork Project, Matsugaki Ryutaro , Ishimaru Tomohiro , Hino Ayako , Muramatsu Keiji , Nagata Tomohisa , Ikegami Kazunori , Tateishi Seiichiro , Tsuji Mayumi , Matsuda Shinya , Fujino Yoshihisa
Published: April 2022

Objectives

This study examined the relationship between frequency of working from home and low back pain (LBP), considering the quality of work environment.

Methods

The study was based on a cross-sectional internet-based survey. Of 33 302 respondents, data from 12 774 desk workers were retained for analysis. We used a 0–10 numerical rating scale to assess LBP. Work environment was assessed using five subjective questions. Mixed-effects logistic regression nested by city level was used to analyze the relationship between frequency of working from home and LBP, stratified by work environment condition.

Results

The prevalence of LBP was 21.0%. Among those reporting a poor work environment, as opposed to almost never working from home, the multivariate odds ratio (OR) of LBP were as follows: working from home less than 1 day per week: OR = 1.25, 95% CI: 0.89–1.76, p = .190; 2–3 days per week: OR = 1.58, 95% CI: 1.16–2.16, p = .004; and 4 or more days per week: OR = 1.82, 95% CI: 1.38–2.40, p < .001. By contrast, among those reporting a good work environment, the OR of LBP did not increase as the frequency of working from home increased.

Conclusions

The relationship between LBP and frequency of working from home was found to vary with the quality of the work environment; more specifically, LBP was associated with frequency of teleworking in a poor work environment. This study suggests that employers should give more support to their employees in promoting a good work environment to prevent LBP. (Words: 240/250).
A meta‐analysis of the effects of habitat aridity, evolutionary history of grazing and grazing intensity on bee and butterfly communities worldwide
Authors: Thapa‐Magar Khum Bahadur , Davis Thomas Seth , Fernández‐Giménez María E.
Published: April 2022

A variety of habitat‐associated factors moderate effects of grazing on insect biodiversity. Here, we examine how aridity, evolutionary history of grazing and grazing intensity individually and interactively mediate the effect of livestock grazing on pollinator biodiversity (native bees and butterflies).

Using a meta‐analysis of 59 studies published in the primary literature, we characterized the response of pollinator communities to grazing across several continents.

In very humid habitats, high grazing intensities generally had negative impacts on pollinator abundance and richness, but these effects were not found in semi‐arid habitats, where livestock grazing intensity did not interact with aridity to impact pollinator abundance or richness. However, within semi‐arid habitats livestock grazing was associated with reduced pollinator richness in areas with short evolutionary histories grazing.

Pollinator life history mediated effects of livestock grazing on pollinator communities: livestock grazing had negative impacts on richness of social bees and butterflies but not solitary bees, though abundances of all three pollinator categories were consistently reduced under livestock grazing.

Our synthesis suggests that effects of cattle on pollinators may be driven by impacts on nesting habitats (e.g. soil compaction), rather than consumption or alteration of forb cover. Our collective findings have importance for coordinating grazing management and pollinator conservation efforts and help to distinguish how grazing practices could impact pollinator biodiversity across ecoclimatic regions.
Creative AI: Augmenting Design Potency
Authors: Bolojan Daniel
Published: April 2022

Assistant Professor at Florida Atlantic University School of Architecture, founder of Nonstandardstudio and a PhD student in Vienna, Daniel Bolojan researches AI‐augmented systems that have the potential to liberate architects’ and designers’ creativity. This is not to say that human imagination and machine learning should be equated; they are very different in the way they function and respond to the world, but when combined they offer new creative opportunities.
Strange, But Familiar Enough: The Design Ecology of Neural Architecture
Authors: del Campo Matias , Manninger Sandra
Published: April 2022

Co‐founders and principals of architecture firm SPAN and architectural academics based at the University of Michigan, Matias del Campo and Sandra Manninger describe how they became aware of AI technology, setting out some key collaborations, familiarising us with the concept of ‘defamiliarisation’ and introducing us to some of SPAN's explorations in AI and architecture.
Synthesising Artificial Intelligence and Physical Performance
Authors: Menges Achim , Wortmann Thomas
Published: April 2022

At the Institute for Computational Design and Construction (ICD) at the University of Stuttgart, its founding director Achim Menges, who also directs the Cluster for Excellence for Integrative Computational Design and Construction for Architecture (IntCDC), and tenure‐track professor Thomas Wortmann illustrate some of their group's research into the exploration of material performance and structures utilising AI and robotics.
Lasing from Laminated Quasi‐2D/3D Perovskite Planar Heterostructures
Authors: Li Yang , Roger Julie , Allegro Isabel , Fischer Jan C. , Jin Qihao , Lemmer Uli , Howard Ian A. , Paetzold Ulrich W.
Published: April 2022

Planar heterostructures are widely used in commercial III–V semiconductor lasers, but not yet explored for perovskite gain media. This study investigates the gain performance of a CsPbBr3(BABr)x/CsPbBr3 (quasi‐2D/3D) perovskite planar heterostructure fabricated by lamination. The resulting heterostructure is designed to enhance the photon and excited‐state density in a non‐quantum‐confined thin 3D layer (30 nm) by simultaneously 1) confining the optical mode and 2) supporting excited‐state transfer from the wider‐bandgap quasi‐2D perovskite to the lower‐bandgap 3D perovskite. This allows the low amplified spontaneous emission (ASE) threshold of 150 (±20) µJ cm−2 and lasing threshold of 46 (±15) µJ cm−2 to be realized in such a heterostructure under nanosecond pumping. Further modeling reveals that the ASE performance can be significantly improved via maximizing the excited‐state transfer efficiency (only 14% for current prototypes) and highlights the potential of perovskite planar heterostructures as high‐performance gain media.
Crowning Lithium Ions in Hole‐Transport Layer toward Stable Perovskite Solar Cells
Authors: Shen Ying , Deng Kaimo , Chen Qinghua , Gao Gui , Li Liang
Published: April 2022

State‐of‐the‐art perovskite solar cells (PSCs) exhibit comparable power conversion efficiency (PCE) to that of silicon photovoltaic devices. However, the device stability remains a major obstacle that restricts widespread application. Doping‐induced hygroscopicity, ion diffusion, and use of polar solvents in the hole‐transport layer are detrimental factors for performance degradation of PSCs. Here, phase‐transfer‐catalyzed LiTFSI doping in Spiro‐OMeTAD is developed to address these negative impacts. 12‐Crown‐4 as an efficient phase‐transfer catalyst promotes the dissolution of LiTFSI without requiring acetonitrile. A combined experimental and theoretical study demonstrates the host–guest interaction between Li+ ions and 12‐crown‐4. Crowning Li+ ions by forming more stable and less diffusive crown‐ether–Li+ complexes retards the generation of hygroscopic lithium oxides and mitigates Li+‐ion migration. Optimized PSCs deliver enhanced PCE and significantly improved stability under humid and thermal conditions compared with a control device. This method can also be applied to dope π‐conjugated polymer. The findings provide a facile avenue to improve the long‐term stability of PSCs.
Highly Efficient and Stable Near‐Infrared Broadband Garnet Phosphor for Multifunctional Phosphor‐Converted Light‐Emitting Diodes
Authors: Wang Ye , Wang Zhijun , Wei Guohui , Yang Yuanbo , He Shaoxuan , Li Jiehong , Shi Yawei , Li Rui , Zhang Jiawei , Li Panlai
Published: April 2022

Broadband near‐infrared (NIR) phosphor‐converted light‐emitting diodes (pc‐LED) are ideal light sources to meet the next generation of NIR spectroscopy. However, NIR phosphors have numerous problems such as low quantum yields (QY) and low thermal stability. In this work, a series of Gd3YxInxGa5‐2xO12:Cr3+ NIR broadband phosphors with high internal quantum yields (IQYs) and high thermal stability are discovered by uniquely replacing GaO6 in Gd3Ga5O12 with Y3+ and In3+ in a co‐doped manner through cation modulation. Under 449 nm excitation, Gd3Y0.5In0.5Ga4O12 (GYIG):yCr3+ depicts emission from 650 to 1050 nm with a full‐width at half maximum (FWHM) of 134 nm. The emission intensity reaches its optimum value at y = 6%, while the IQY reaches an impressive 81.8% and, at 375 K, the emission intensity remains at room temperature of 94.1%. Excitingly, the obtained phosphors are made into pc‐LEDs. At 0.28 W output power and 0.1 A output current, NIR pc‐LED has a NIR photoelectricity conversion efficiency of 15%; more promising is that when the output power is increased to 2.247 W, the pc‐LED photoelectric conversion efficiency can still maintain at 8.5%, which can be applied in different fields such as plant lighting, night vision, biological tissue penetration, and object detection.
Diastereospecific Enantiodivergent Allylation of Pyrazolones as an Entry to β‐Aminoamides
Authors: Wannenmacher Nick , Heberle Martin , Yu Xin , Demircan Aysegül , Wanner Daniel M. , Pfeffer Camilla , Peters René
Published: April 2022

A diastereospecific enantiodivergent allylation of pyrazolones is reported which is catalyzed by a planar chiral pentaphenylferrocene based palladacycle. With the same catalyst batch both product enantiomers were selectively available. The method is applicable to structurally diverse substrates and gave products with enantiomeric excesses between 85 and 94%. In addition, we could show that pyrazolones are transformable into β‐aminoamides.

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In Tandem Contact‐Transfer Printing for High‐Performance Transient Electronics
Authors: Dahiya Abhishek Singh , Christou Adamos , Neto João , Zumeit Ayoub , Shakthivel Dhayalan , Dahiya Ravinder
Published: April 2022

High‐performance flexible electronics developed with resource efficient printing route will transform the way future electronics is manufactured and used to advance applications such as healthcare, Internet of Things, wearables, consumer electronics, etc. Herein, an innovative approach is presented that involves, for the first time, the in‐tandem use of contact and transfer printing methods to realize high‐quality electronic layers at selected locations on rigid (Si/SiO2), flexible (polyimide), and biodegradable (magnesium (Mg) foils). Superior grade quality of printed electronic layers is demonstrated by realizing transistors and printed UV photodetectors (PDs) employing high‐resolution electrohydrodynamic printing. The all‐printed PDs show extremely high performance for UV detection, with extraordinary high responsivity (>107 A W−1) and specific detectivity (≈1017 Jones) values at low UV intensity of 0.1 µW cm−2. Finally, the fabricated PDs on Mg foil are dissolved in deionized water at room temperature. Thus, in‐tandem contact and transfer printing has potential for ecofriendly development of transient electronics. Further, the approach allows printing of wide range of nanomaterials and heterostructures or complex superlattice structures, which can open exciting new possibilities for high‐performance electronics.
Four‐Electron Transfer Reaction Endows High Capacity for Aqueous Cu–Se Battery
Authors: Zhang Junwei , Zhang Xikun , Xu Chiwei , Yan Huihui , Liu Yiwen , Xu Jiaxi , Yu Haoxiang , Zhang Liyuan , Shu Jie
Published: April 2022

Selenium as a potential alternative cathode material for storing metal ions exhibits a series of advantages such as favorable electronic conductivity, attractive volumetric specific capacity, and mass density. However, due to the shortage of feasible redox couples for conversion reactions, the development of Se‐based batteries has been seriously impeded. Herein, based on the quantitative analysis of chemical thermodynamic properties, a novel conversion‐type Cu–Se battery is constructed with Cu2+ as the variable‐valence charge carrier. Benefitting from the synergism between the variable‐valence charge carrier and the chemical stability of copper selenides, the Cu–Se battery delivers a high initial reversible capacity of 1045.4 mAh g−1 at 0.1 A g−1, exceptional long‐span cycling stability with 89.7% capacity retention over 1500 cycles at 2 A g−1, and outstanding rate performance. Under a joint theoretical and experimental study from density functional theory calculations, X‐ray diffraction, X‐ray photoelectron spectroscopy, and high‐resolution transmission electron microscopy, it is demonstrated that the energy storage mechanism is a stepwise four‐electron conversion process of Se↔CuIISe↔CuI2Se. Thus, this work establishes an available aqueous Cu–Se battery with excellent performance and paves the way for exploring more promising metal–Se batteries by screening thermodynamic parameters.
Design Rules for Polymer Blends with High Thermoelectric Performance
Authors: Zapata‐Arteaga Osnat , Marina Sara , Zuo Guangzheng , Xu Kai , Dörling Bernhard , Pérez Luis Alberto , Reparaz Juan Sebastián , Martín Jaime , Kemerink Martijn , Campoy‐Quiles Mariano
Published: April 2022

A combinatorial study of the effect of in‐mixing of various guests on the thermoelectric properties of the host workhorse polymer poly[2,5‐bis(3‐tetradecylthiophen‐2‐yl)thieno[3,2‐b]thiophene] (PBTTT) is presented. Specifically, the composition and thickness for doped films of PBTTT blended with different polymers are varied. Some blends at guest weight fractions around 10–15% exhibit up to a fivefold increase in power factor compared to the reference material, leading to zT values around 0.1. Spectroscopic analysis of the charge‐transfer species, structural characterization using grazing‐incidence wide‐angle X‐ray scattering, differential scanning calorimetry, Raman, and atomic force microscopy, and Monte Carlo simulations are employed to determine that the key to improved performance is for the guest to promote long‐range electrical connectivity and low disorder, together with similar highest occupied molecular orbital levels for both materials in order to ensure electronic connectivity are combined.
Plasmonic Local Heating Induced Strain Modulation for Enhanced Efficiency and Stability of Perovskite Solar Cells
Authors: Li Fengzhu , Lo Tsz Wing , Deng Xiang , Li Siqi , Fan Yulong , Lin Francis R. , Cheng Yuanhang , Zhu Zonglong , Lei Dangyuan , Jen Alex K.‐Y.
Published: April 2022

The residual strain induced during the growth of perovskite film is an intrinsic issue that significantly affects the efficiency and stability of perovskite solar cells (PVSCs). Inspired by the flipped annealing method to release strain in perovskite thin films, SiO2‐coated gold nanorods (GNR@SiO2) are introduced into perovskite film and advantage of the plasmonic local heating effect is taken for in situ strain relaxation. The GNR@SiO2‐incorporated inverted PVSCs exhibit a champion power conversion efficiency (PCE) over 23%, which is the highest PCE in plasmonic‐incorporated PVSCs. Moreover, the intrinsic stability of the resulting PVSCs is greatly improved for the nonencapsulated device and retains 84% of its initial PCE after 2800 h aging under continuous illumination at 65 ± 5 °C in an N2 glove box and nearly 90% after 1000 h repetitive 12 h light on–off cycles. This work provides an efficient yet easy‐to‐implement plasmonic heating strategy for simultaneously enhancing the efficiency and stability of PVSCs.
Great ape health watch: Enhancing surveillance for emerging infectious diseases in great apes
Authors: Zimmerman Dawn M. , Mitchell Stephanie L. , Wolf Tiffany M. , Deere Jessica R. , Noheri Jean Bosco , Takahashi Emi , Cranfield Michael R. , Travis Dominic A. , Hassell James M.
Published: April 2022

Infectious diseases have the potential to extirpate populations of great apes. As the interface between humans and great apes expands, zoonoses pose an increasingly severe threat to already endangered great ape populations. Despite recognition of the threat posed by human pathogens to great apes, health monitoring is only conducted for a small fraction of the world's wild great apes (and mostly those that are habituated) meaning that outbreaks of disease often go unrecognized and therefore unmitigated. This lack of surveillance (even in sites where capacity to conduct surveillance is present) is the most significant limiting factor in our ability to quickly detect and respond to emerging infectious diseases in great apes when they first appear. Accordingly, we must create a surveillance system that links disease outbreaks in humans and great apes in time and space, and enables veterinarians, clinicians, conservation managers, national decision makers, and the global health community to respond quickly to these events. Here, we review existing great ape health surveillance programs in African range habitats to identify successes, gaps, and challenges. We use these findings to argue that standardization of surveillance across sites and geographic scales, that monitors primate health in real‐time and generates early warnings of disease outbreaks, is an efficient, low‐cost step to conserve great ape populations. Such a surveillance program, which we call “Great Ape Health Watch” would lead to long‐term improvements in outbreak preparedness, prevention, detection, and response, while generating valuable data for epidemiological research and sustainable conservation planning. Standardized monitoring of great apes would also make it easier to integrate with human surveillance activities. This approach would empower local stakeholders to link wildlife and human health, allowing for near real‐time, bidirectional surveillance at the great ape‐human interface.
Dehydroxylative Alkylation of α‐Hydroxy Carboxylic Acid Derivatives via a Spin‐Center Shift
Authors: Peng Tian‐Yu , Xu Zhe‐Yuan , Zhang Feng‐Lian , Li Bin , Xu Wen‐Ping , Fu Yao , Wang Yi‐Feng
Published: April 2022

A strategically distinct dehydroxylative alkylation reaction of α‐hydroxy carboxylic acid derivatives with alkenes is developed. The reaction starts with the attack of a 4‐dimethylaminopyridine (DMAP)‐boryl radical to the carbonyl oxygen atom, followed by a spin‐center shift (SCS) to trigger the C−O bond scission. The resulting α‐carbonyl radicals couple with a wide range of alkenes to furnish various alkylated products. This strategy allows for the efficient conversion of a wide array of α‐hydroxy amides and esters derived from several biomass molecules and natural products to value‐added compounds. Experimental and computational studies verified the reaction mechanism.
Tuning Surface‐Electron Spins on Fe3O4 (111) through Chemisorption of Carbon Monoxide
Authors: Cao Dong‐Bo , Liu Xingchen , Lewis James P. , Guo Wenping , Wen Xiaodong
Published: April 2022

The adsorption‐induced flip of electron spin at interfaces is an important but poorly understood phenomenon for magnetic devices, sensors, and heterogeneous catalysis, due to the difficulties in determining the surface spins at atomic resolution. We present an evolutionary magnetic order searching method that allows efficient identification of the ground state spin configuration of magnetic bulk and surfaces. Using this approach, we have discovered for the first time a set of adsorption‐induced near‐degenerate surface magnetic states on the Fe3O4 (111) surface. Molecular adsorption of CO causes a destabilization of the magnetic states of the clean surface leading to a set of near‐degenerate surface magnetic states at medium coverage, which causes an abrupt increase of the magnetic entropy on the surface. The empty 2π* orbital of CO, which could accommodate the back donation of the spin density in the Fe d orbitals, plays a key role for the CO adsorption‐induced spin transition.
In Situ Hydrolysis of Block Copolymers at the Water‐Oil Interface
Authors: Chen Zhan , Hu Mingqiu , Li Xindi , Smith Darren M. , Seong Hong‐Gyu , Emrick Todd , Rzayev Javid , Russell Thomas P.
Published: April 2022

In situ manipulation of the chemical composition of block copolymers at the fluid interfaces affords a route by which the interfacial tension, the packing of the copolymers, and the penetration of the blocks into the two liquids can be controlled. Here, a series of linear block copolymers of poly(solketal methacrylate‐b‐styrene) (PSM‐b‐PS) are used, converting hydrophobic PSM block into a hydrophilic glycerol monomethacrylate (GM) block, that results in a marked decrease in the liquid‐liquid interfacial tension. The kinetics of the first‐order hydrolysis reaction was analyzed by monitoring the time‐dependent interfacial tension as a function of pH, polymer concentration, molecular weight, and composition. Fluorescence recovery after photobleaching (FRAP) was used to measure the in‐plane dynamics of the copolymers before and after hydrolysis. This work provides insights into a quantitative pathway by which in situ interfacial reactions may be performed and monitored in real time, completely changing the interfacial activity of the molecule.
Cooperative Palladium/Isothiourea Catalyzed Enantioselective Formal (3+2) Cycloaddition of Vinylcyclopropanes and α,β‐Unsaturated Esters
Authors: Bitai Jacqueline , Nimmo Alastair J. , Slawin Alexandra M. Z. , Smith Andrew D.
Published: April 2022

A protocol for the enantioselective synthesis of substituted vinylcyclopentanes has been realised using cooperative palladium and isothiourea catalysis. Treatment of vinylcyclopropanes with Pd(PPh3)4 generates a zwitterionic π‐allyl palladium intermediate that intercepts a catalytically generated α,β‐unsaturated acyl ammonium species prepared from the corresponding α,β‐unsaturated para‐nitrophenyl ester and the isothiourea (R)‐BTM. Intermolecular formal (3+2) cycloaddition between these reactive intermediates generates functionalised cyclopentanes in generally good yields and excellent diastereo‐ and enantiocontrol (up to >95 : 5 dr, 97 : 3 er), with the use of LiCl as an additive proving essential for optimal stereocontrol. To the best of our knowledge a dual transition metal/organocatalytic process involving α,β‐unsaturated acyl ammonium intermediates has not been demonstrated previously.
Tunable Solid‐State Thermochromism: Alkyl Chain Length‐Dependent Conformational Isomerization of Bianthrones
Authors: Hirao Yasukazu , Hamamoto Yosuke , Kubo Takashi
Published: April 2022

The introduction of linear alkoxy chains into bianthrone promoted the aggregation of the minor twisted conformer and made it compete with the major folded conformer in the solid‐state. Rapid evaporation approach to the methoxy‐ and n‐butoxy‐substituted derivatives provided powder mixtures of folded and twisted conformers as metastable solids. Upon heating the powders, different lengths of alkyl chains converged to different conformers via solid‐state isomerization reaction with an apparent color change. Monitoring by FT‐IR spectroscopy and powder XRD ensured that these isomerization reactions involve only conformational isomerization without pyrolysis. In addition, single crystal X‐ray structure analysis revealed that twisted conformers with longer alkyl chains are stabilized in the solid‐state by the synergistic effect of their inter‐chain hydrophobic interactions and π‐π stacking interactions.
‘The participation group means that I'm low ability’: Students’ perspectives on the enactment of ‘mixed‐ability’ grouping in secondary school physical education
Authors: Wilkinson Shaun D. , Penney Dawn
Published: April 2022

Mixed‐ability grouping is widespread in primary schools and in several subject areas in secondary schools in England. Notwithstanding, there is scant research on mixed‐ability grouping in the education literature, particularly in terms of its impact on students’ experiences. The research reported in this paper employs enactment theory to provide original insights into the diverse practices and complex contextual factors that shape students’ perceptions and experiences of mixed‐ability grouping in physical education (PE). Enactment theory acknowledges that school decisions about grouping policy are impacted by wider education policy and other contextual influences, and that the expression of grouping policies in specific subjects and classrooms is navigated and negotiated by students as well as teachers. The paper draws on data from in‐depth, semi‐structured focus groups with 41 Year 10 (aged 14–15) students in a mixed‐gender secondary school in England to explore the different ways in which students are positioned and position themselves in the enactment of mixed‐ability grouping in PE. Findings reveal many contextual factors, including ability and gender discourses, school and subject cultures, and the broader policy context, influencing students’ positioning and learning experiences in mixed‐ability PE. The discussion explores distinct differences in the enactment of mixed‐ability grouping in PE in Key Stage 3 (aged 11–14) and Key Stage 4 (aged 14–16) and identifies students as enthusiasts, critics, entrepreneurs and copers in grouping policy enactment. The study affirms the need for educators and professionals to critically engage with the construct of ability, and in turn mixed‐ability grouping policies and pedagogic practices in PE.
Lipid bilayer composition as a determinant of cancer cell sensitivity to tumoricidal protein‐lipid complexes
Authors: Ho James C. S. , Mir Sartaj Ahmad , Cavalera Michele , Esmaeili Parisa , Tran Tuan Hiep , Yann Zandra Chew , Tran Thi Hien , Chaudhuri Arunima , Bendt Anne K. , Wenk Markus R. , Svanborg Catharina
Published: April 2022

Complexes formed by the alpha1 N‐terminal peptide of alpha‐lactalbumin and oleic acid (alpha1‐oleate) interact with lipid bilayers. Plasma membrane perturbations trigger tumor cell death but normal differentiated cells are more resistant, and their plasma membranes are less strongly affected. This study examined membrane lipid composition as a determinant of tumor cell reactivity. Bladder cancer tissue showed a higher abundance of unsaturated lipids enriched in phosphatidylcholine, PC (36:4) and PC (38:4), and sphingomyelin, SM (36:1) than healthy bladder tissue, where saturated lipids predominated and the lipid extracts from bladder cancer tissue inhibited the tumoricidal effect of the complex more effectively than healthy tissue extracts. Furthermore, unsaturated PC in solution inhibited tumor cell death, and the complex interacted with giant unilamellar vesicles formed by PC, confirming the affinity of alpha1‐oleate for fluid membranes enriched in PC. Quartz Crystal Microbalance with dissipation monitoring (QCM‐D) detected a preference of the complex for the liquid‐disordered phase, suggesting that the insertion into PC‐based membranes and the resulting membrane perturbations are influenced by membrane lipid saturation. The results suggest that the membrane lipid composition is functionally important and that specific unsaturated membrane lipids may serve as “recognition motifs” for broad‐spectrum tumoricidal molecules such as alpha1‐oleate.
Female ejaculation and squirting as similar but completely different phenomena: A narrative review of current research
Authors: Pastor Zlatko , Chmel Roman
Published: April 2022

Women expel fluids of various quantities and compositions from the urethra during sexual arousal and orgasm. These are classified as either female ejaculation (FE) or squirting (SQ). The aim of our analysis was to present evidence that FE and SQ are similar but etiologically different phenomena. A review of studies was performed on fluids expelled from the urogenital tract during female sexual activities using the Web of Knowledge™ (Web of Science Core Collection) and MEDLINE (Ovid) databases from 1946 to 2021. Until 2011, all female orgasmic expulsions of fluids were referred to as FE. The fluid was known to be either from the paraurethral glands or as a result of coital incontinence. At present, SQ is considered as a transurethral expulsion of approximately 10 milliliters or more of transparent fluid, while FE is considered as a secretion of a few milliliters of thick fluid. The fluid in SQ is similar to urine and is expelled by the urinary bladder. The secretion in FE originates from the paraurethral glands and contains a high concentration of prostate‐specific antigen. Both phenomena can occur simultaneously. The mechanisms underlying SQ and FE are entirely different. SQ is a massive transurethral orgasmic expulsion from the urinary bladder, while FE is the secretion of a very small amount of fluid from the paraurethral glands.
Making Enzymes Suitable for Organic Chemistry by Rational Protein Design
Authors: Reetz Manfred
Published: April 2022

This review outlines recent developments in protein engineering of stereo‐ and regioselective enzymes, which are of prime interest in organic and pharmaceutical chemistry as well as biotechnology. The widespread application of enzymes was hampered for decades due to limited enantio‐, diastereo‐ and regioselectivity, which was the reason why most organic chemists were not interested in biocatalysis. This attitude began to change with the advent of semi‐rational directed evolution methods based on focused saturation mutagenesis at sites lining the binding pocket. Screening constitutes the labor‐intensive step (bottleneck), which is the reason why various research groups are continuing to develop techniques for the generation of small and smart mutant libraries. Rational enzyme design, traditionally an alternative to directed evolution, provides small collections of mutants which require minimal screening. This approach first focused on thermostabilization, and did not enter the field of stereoselectivity until later. Computational guides such as the Rosetta algorithms, HotSpot Wizard metric, and machine learning (ML) contribute significantly to decision making. The newest advancements show that semi‐rational directed evolution such as CAST/ISM and rational enzyme design no longer develop on separate tracks, instead, they have started to merge. Indeed, researchers utilizing the two approaches have learned from each other. Today, the toolbox of organic chemists includes enzymes, primarily because the possibility of controlling stereoselectivity by protein engineering has ensured reliability when facing synthetic challenges. This review was also written with the hope that undergraduate and graduate education will include enzymes more so than in the past.
Ligand‐Promoted RhI‐Catalyzed C2‐Selective C−H Alkenylation and Polyenylation of Imidazoles with Alkenyl Carboxylic Acids
Authors: Zhao Haoqiang , Luo Zhenli , Yang Ji , Li Bohan , Han Jiahong , Xu Lijin , Lai Wenzhen , Walsh Patrick J.
Published: April 2022

The first RhI‐catalyzed, directed decarbonylative C2−H alkenylation of imidazoles with readily available alkenyl carboxylic acids is reported. The reaction proceeds in a highly regio‐ and stereoselective manner, providing efficient access to C2‐alkenylated imidazoles that are generally inaccessible by known C−H alkenylation methods. This transformation accommodates a wide range of alkenyl carboxylic acids, including challenging conjugated polyene carboxylic acids, and diversely decorated imidazoles with high functional group compatibility. The presence of a removable pyrimidine directing group and the use of a bidentate phosphine ligand are pivotal to the success of the catalytic reaction. This process is also suitable for benzimidazoles. Importantly, the scalability and diversification of the products highlight the potential of this protocol in practical applications. Detailed experimental and computational studies provide important insights into the underlying reaction mechanism.
Effects of anti‐IL5 biological treatments on blood IgE levels in severe asthmatic patients: A real‐life multicentre study (BIONIGE)
Authors: Contoli Marco , Santus Pierachille , Menzella Francesco , Rocchi Cindy , Radovanovic Dejan , Baraldi Federico , Martelli Chiara , Casanova Serena , Barbetta Carlo , Micheletto Claudio , Scichilone Nicola , Beghè Bianca , Carpagnano Elisiana , Papi Alberto
Published: April 2022

Background

Mepolizumab and benralizumab are clinically effective biological treatments for severe eosinophilic asthmatic patients by hampering eosinophilic inflammation. The effects of these compound on the immunoglobulin (Ig)E T2 component are virtually unknown.

Objectives

To evaluate the change in total IgE levels at 4 ± 2 months after initiation of the mepolizumab (primary outcome) or benralizumab. When available, the changes of blood inflammatory cell counts, lung function and asthma control test (ACT) were also assessed and correlated with changes in total IgE levels.

Methods

Observational, retrospective, multicentre, cohort study. Severe eosinophilic atopic asthmatic patients treated with mepolizumab or benralizumab were included in the analysis.

Results

Three‐month treatment (on average) with mepolizumab (n = 104) or benralizumab (n = 82) resulted in significantly higher reduction of blood eosinophil and basophil levels in patients treated with benralizumab compared to mepolizumab. Mepolizumab did not significantly modified the levels of blood total IgE during the study period, whereas benralizumab significantly reduced (−35%, p < 0.001) total blood IgE levels. In patients treated with benralizumab the reduction of blood total Ig‐E levels correlated with the reduction of blood basophils (but not eosinophils) and weakly with the improvement of asthma control.

Conclusion

Benralizumab but not mepolizumab, treatment led to a significant reduction of circulating IgE level. The study provides different and specific mechanisms of action for anti‐IL5‐pathway treatments.
Evaluation of a Radiolabeled Macrocyclic Peptide as Potential PET Imaging Probe for PD−L1
Authors: Jouini Nedra , Cardinale Jens , Mindt Thomas L.
Published: April 2022

The interaction between the immune checkpoint PD‐1 and PD−L1 promotes T‐cell deactivation and cancer proliferation. Therefore, immune checkpoint inhibition therapy, which relies on prior assessment of the target, has been widely used for many cancers. As a non‐invasive molecular imaging tool, radiotracers bring novel information on the in vivo expression of biomarkers (e. g., PD−L1), enabling a personalized treatment of patients. Our work aimed at the development of a PD−L1‐specific, peptide‐based PET radiotracer. We synthesized and evaluated a radiolabeled macrocyclic peptide adapted from a patent by Bristol Myers Squibb. Synthesis of [68Ga]Ga‐NJMP1 yielded a product with a radiochemical purity>95 % that was evaluated in vitro. However, experiments on CHO−K1 hPD−L1 cells showed very low cell binding and internalization rates of [68Ga]Ga‐NJMP1 in comparison to a control radiopeptide (WL12). Non‐radioactive cellular assays using time‐resolved fluorescence energy transfer confirmed the low affinity of the reported parent peptide and the DOTA‐derivatives towards PD−L1. The results of our studies indicate that the macrocyclic peptide scaffold reported in the patent literature is not suitable for radiotracer development due to insufficient affinity towards PD−L1 and that C‐terminal modifications of the macrocyclic peptide interfere with important ligand/receptor interactions.
Rapidly Signal‐enhanced Metabolites for Atomic Scale Monitoring of Living Cells with Magnetic Resonance
Authors: Ding Yonghong , Korchak Sergey , Mamone Salvatore , Jagtap Anil P. , Stevanato Gabriele , Sternkopf Sonja , Moll Denis , Schroeder Henning , Becker Stefan , Fischer André , Gerhardt Ellen , Outeiro Tiago F. , Opazo Felipe , Griesinger Christian , Glöggler Stefan
Published: April 2022

Nuclear magnetic resonance (NMR) is widely applied from analytics to biomedicine although it is an inherently insensitive phenomenon. Overcoming sensitivity challenges is key to further broaden the applicability of NMR and, for example, improve medical diagnostics. Here, we present a rapid strategy to enhance the signals of 13C‐labelled metabolites with para‐hydrogen and, in particular, 13C‐pyruvate, an important molecule for the energy metabolism. We succeeded to obtain an average of 27 % 13C polarization of 1‐13C‐pyruvate in water which allowed us to introduce two applications for studying cellular metabolism. Firstly, we demonstrate that the metabolism of 1‐13C‐pyruvate can serve as a biomarker in cellular models of Parkinson's disease and, secondly, we introduce the opportunity to combine real‐time metabolic analysis with protein structure determination in the same cells. Based on the here presented results, we envision the use of our approach for future biomedical studies to detect diseases.
Security‐based teleradiology in DICOM used two‐level DWT based optimization watermarking
Authors: Shanmugam Karthiyayini , Nagarajan Karthikeyan
Published: April 2022

The electronic transmission of radiographic images from one geographical location to another location is known as teleradiology. Radiological image processing issues occurred during the transmission across various medical image workstations have been handled by this approach, in order to provide various health care activities. (i.e., diagnosis, medical practicing, consulting second opinion, or treatment and monitor a patient). The major difficulties of remote transmission process are privacy, safety, image retention, etc. A noise‐tolerant signal is being implanted with a digital watermark furtively (e.g., an image, symbol, audio, video, etc.), concerning the typical identification of the signal's patent. The intention of utilizing digital watermarks is either to validate the carrier signal's authenticity and ethics or to reveal its patent holder's identity, to provide protected transmission. In this work, watermarking approach is implemented to integrate biometrics with cryptography. The entropy‐based fingerprint feature has been extracted for generating the key to process the cryptography, and digital imaging and communications in medicine (DICOM) images. To obtain secure transmission, two‐level discrete wavelet transform method is employed for watermarking the cover image with encrypted image. Subsequently, the receiver can extract the watermarked image by using watermarking keys. This method is proposed to access the diagnostic image with privacy, accessibility, and reliability. The anticipated outputs of the proposed approach have been assessed based on factors such as structural similarity index measures (SSIM), normalized correlations (NC), and peak‐signal‐to‐noise ratio (PSNR).
Rotational Spectroscopy of 2‐Furoic Acid and Its Dimer: Conformational Distribution and Double Proton Tunneling
Authors: Insausti Aran , Ma Jiarui , Yang Qian , Xie Fan , Xu Yunjie
Published: April 2022

Structural and tunneling properties of the 2‐furoic acid (FA) monomer and dimer were investigated using rotational spectroscopy and DFT calculations. CREST, a conformational ensemble space exploration tool, was used to identify all possible low‐energy conformations of the FA monomer and dimer, followed by the DFT geometry optimization and harmonic frequency calculations. Broadband rotational spectra in the 2–6 and 8–12 GHz regions were recorded in a supersonic jet expansion. The monomeric FA was found to exist dominantly as three different conformers:I,II, andIIIin a jet, withIandIItaking on thecis‐COOH configuration whileIIIhaving thetrans‐COOH configuration. For the FA dimer, only theI–IIconformer was observed experimentally, whereas the symmetricI–IandII–IIconformers were not observed because of their zero dipole moments. The analysis of the splittings in the rotational transitions ofI–IIallowed one to extract the tunneling splitting to be 1056.0(12) MHz. The barrier height was determined to be ∼442 cm−1using the scaled potential energy scans at several different levels of theory.
Science‐Based Approach to Harmonize Contraception Recommendations in Clinical Trials and Pharmaceutical Labels
Authors: Bowman Christopher J. , Becourt‐Lhote Nathalie , Boulifard Virginie , Cordts Rüdiger , Corriol‐Rohou Solange , Enright Brian , Erkman Linda , Harris Jayne , Hartmann Andreas , Hilpert Jan , Kervyn Sophie , Mattson Britta , Morford LaRonda , Muller Mireille , Powell Marcy , Sobol Zhanna , Srinivasan Rajamuthu , Stark Claudia , Thompson Kary E. , Turner Katie J. , Barrow Paul
Published: April 2022

This review presents a European Federation of Pharmaceutical Industries and Association/PreClinical Development Expert Group (EFPIA‐PDEG) topic group consensus on a data‐driven approach to harmonized contraception recommendations for clinical trial protocols and product labeling. There is no international agreement in pharmaceutical clinical trial protocols or product labeling on when/if female and/or male contraception is warranted and for how long after the last dose. This absence of consensus has resulted in different recommendations among regions. For most pharmaceuticals, contraception recommendations are generally based exclusively on nonclinical data and/or mechanism. For clinical trials, contraception is the default position and is maintained for women throughout clinical development, whereas appropriate information can justify removing male contraception. Conversely, contraception is only recommended in product labeling when warranted. A base case rationale is proposed for whether or not female and/or male contraception is/are warranted, using available genotoxicity and developmental toxicity data. Contraception is generally warranted for both male and female subjects treated with mutagenic pharmaceuticals. We propose as a starting point that contraception is not typically warranted when the margin is 10‐fold or greater between clinical exposure at the maximum recommended human dose and exposure at the no observed adverse effect level (NOAEL) for purely aneugenic pharmaceuticals and for pharmaceuticals that induce fetal malformations or embryo‐fetal lethality. Other factors are discussed, including contraception methods, pregnancy testing, drug clearance, options for managing the absence of a developmental toxicity NOAEL, drug‐drug interactions, radiopharmaceuticals, and other drug modalities. Overall, we present a data‐driven rationale that can serve as a basis for consistent contraception recommendations in clinical trials and in product labeling across regions.
A comparison of monitoring designs to assess wildlife community parameters across spatial scales
Authors: Wright Alexander D. , Campbell Grant Evan H. , Zipkin Elise F.
Published: April 2022

Dedicated long‐term monitoring at appropriate spatial and temporal scales is necessary to understand biodiversity losses and develop effective conservation plans. Wildlife monitoring is often achieved by obtaining data at a combination of spatial scales, ranging from local to broad, to understand the status, trends, and drivers of individual species or whole communities and their dynamics. However, limited resources for monitoring necessitates tradeoffs in the scope and scale of data collection. Careful consideration of the spatial and temporal allocation of finite sampling effort is crucial for monitoring programs that span multiple spatial scales. Here we evaluate the ability of five monitoring designs—stratified random, weighted effort, indicator unit, rotating panel, and split panel—to recover parameter values that describe the status (occupancy), trends (change in occupancy), and drivers (spatially varying covariate and an autologistic term) of wildlife communities at two spatial scales. Using an amphibian monitoring program that spans a network of US national parks as a motivating example, we conducted a simulation study for a regional community occupancy sampling program to compare the monitoring designs across varying levels of sampling effort (ranging from 10% to 50%). We found that the stratified random design outperformed the other designs for most parameters of interest at both scales and was thus generally preferable in balancing the estimation of status, trends, and drivers across scales. However, we found that other designs had improved performance in specific situations. For example, the rotating panel design performed best at estimating spatial drivers at a regional level. Thus, our results highlight the nuanced scenarios in which various design strategies may be preferred and offer guidance as to how managers can balance common tradeoffs in large‐scale and long‐term monitoring programs in terms of the specific knowledge gained. Monitoring designs that improve accuracy in parameter estimates are needed to guide conservation policy and management decisions in the face of broad‐scale environmental challenges, but the preferred design is sensitive to the specific objectives of a monitoring program.
Exosymbiotic microbes within fermented pollen provisions are as important for the development of solitary bees as the pollen itself
Authors: Dharampal Prarthana S. , Danforth Bryan N. , Steffan Shawn A.
Published: April 2022

Developing bees derive significant benefits from the microbes present within their guts and fermenting pollen provisions. External microbial symbionts (exosymbionts) associated with larval diets may be particularly important for solitary bees that suffer reduced fitness when denied microbe‐colonized pollen.

To investigate whether this phenomenon is generalizable across foraging strategy, we examined the effects of exosymbiont presence/absence across two solitary bee species, a pollen specialist and generalist. Larvae from each species were reared on either microbe‐rich natural or microbe‐deficient sterilized pollen provisions allocated by a female forager belonging to their own species (conspecific‐sourced pollen) or that of another species (heterospecific‐sourced pollen). Our results reveal that the presence of pollen‐associated microbes was critical for the survival of both the generalist and specialist larvae, regardless of whether the pollen was sourced from a conspecific or heterospecific forager.

Given the positive effects of exosymbiotic microbes for larval fitness, we then examined if the magnitude of this benefit varied based on whether the microbes were provisioned by a conspecific forager (the mother bee) or a heterospecific forager. In this second study, generalist larvae were reared only on microbe‐rich pollen provisions, but importantly, the sources (conspecific versus heterospecific) of the microbes and pollen were experimentally manipulated.

Bee fitness metrics indicated that microbial and pollen sourcing both had significant impacts on larval performance, and the effect sizes of each were similar. Moreover, the effects of conspecific‐sourced microbes and conspecific‐sourced pollen were strongly positive, while that of heterospecific‐sourced microbes and heterospecific‐sourced pollen, strongly negative.

Our findings imply that not only is the presence of exosymbionts critical for both specialist and generalist solitary bees, but more notably, that the composition of the specific microbial community within larval pollen provisions may be as critical for bee development as the composition of the pollen itself.