bluuebunny/crossref_metadata_2025 huggingface dataset:
Names of some of the Persons who have Original Copies of the National Solemn League and Covenants
Authors: Laing David
Published: May 2022

A re-publication of David Laing’s paper on who owns copies of some Protestant documents from the sixteenth century. This paper was originally delivered in May 1847. He also offers descriptions of the contents and significance of these documents, and notes that there are occasionally some differences between copies, usually in who signed the document.
On various Superstitions in the North-West Highlands and Islands of Scotland, especially in relation to Lunacy
Authors: Mitchell Arthur
Published: May 2022

Arthur Mitchell discusses several sites, rituals and superstitions in the Highlands and Islands that are alleged to have curative properties for those suffering from various forms of mental illness. He argues that these beliefs may be remnants of a pre-Christian religion. He also discusses anecdotal and written evidence of other treatments for mental illness that are motivated by the association between mental illness and demonic possession. There is also discussion of the burial rites of people who took their own life. Mitchell is critical of all these practices but reminds his audience that similar cures had been used within living memory at the time of writing and some were even still in use.
Notes on some Antiquities in the Parish of Alford, Aberdeenshire
Authors: Gillan James , Stuart John
Published: May 2022

The author describes the various antiquities found near Alford in Aberdeenshire, including the foundations of unidentified buildings, a large accumulation of flint, several coffins, and other miscellaneous items that were unearthed from within this parish.
Notices of the Castle and Painted Room or Hall of Earlshall, in Fifeshire
Authors: Jervise Andrew
Published: May 2022

The article briefly discusses the history of the Bruce family that owned Earlshall Castle and which family members contributed to its construction. The author highlights the painted ceiling in the hall as a particularly interesting part of the architecture. He provides lists of the paintings’ subjects and describes some of the families and individuals referenced in the artwork.
Notices of some of the Abbots of Kinloss, and of a Volume which belonged successively to Robert Reid, one of the Abbots; William Gordon, Bishop of Aberdeen; and John Leslie, Bishop of Ross
Authors: Stuart John
Published: May 2022

On the day, a book containing two Catholic texts from the sixteenth century was exhibited. The article describes the career of Bishop Robert Reid, one of the book’s owners, who was the Abbot of Kinloss from 1526-1558. His academic pursuits, the improvements he made to the Abbey and how he likely came to own the book are discussed, alongside some analysis of the primary sources of information about his life. The history of the Abbey is mentioned throughout the article, including the legend of its founding by David I in 1150 and some information about earlier Abbots.
Exhibition of Mason-Marks copied from Melrose Abbey, Dryburgh, Jedburgh, &c
Authors: Smith John Alex
Published: May 2022

The author describes how mason’s marks are used in building materials to note which mason constructed each part of the structure. He suggests that if a researcher had a record of mason’s marks that were used across Scotland in different time periods, it might be possible to cross-reference them and discover if the same masons worked on buildings with similar styles, or to check whether part of a building was a later addition based on when the mason’s marks are from.

 

Meeting notes for 9 June, 1862 are appended.
Notice of an Ancient Cross-bow found under the Moss on the Estate of Auchmeddan, Aberdeenshire, in a Letter to the Secretary
Authors: Murray Alexander
Published: May 2022

A note explaining how a cross-bow and arrows were unearthed. The arrows were later lost, but the author describes the situation of the finds and argues that the weapons were deposited after the burial of their owner in a cairn nearby. He notes that there are many cairns in this part of Aberdeenshire.
Plan of the Remains of the Ancient Chapel-Royal, called Kirkheugh, St Andrews, with a Descriptive Notice
Authors: Anderson Robert , Laing David
Published: May 2022

This article discusses the construction materials and layout of the ruined chapel at Kirkheugh. Although the author is hesitant to draw conclusions about when the earlier part of the structure was built, he does suggest that the newer part of the chapel could have been added in the thirteenth century. The Vice-President David Laing then presents some notes on the local history of the chapel in Kirkheugh, including the connection with the culdees, the wealth of the church, and the names of the church's chief officials from the foureenth to the sixteenth century.
Crossing paths: recent insights in the interplay between autophagy and intracellular trafficking in plants
Authors: Gouguet Paul , Üstün Suayib
Published: May 2022

Autophagy fulfills a crucial role in plant cellular homeostasis by recycling diverse cellular components ranging from protein complexes to whole organelles. Autophagy cargos are shuttled to the vacuole for degradation, thereby completing the recycling process. Canonical autophagy requires the lipidation and insertion of ATG8 proteins into double‐membrane structures, termed autophagosomes, which engulf the cargo to be degraded. As such, the autophagy pathway actively contributes to intracellular membrane trafficking. Yet, the autophagic process is not fully considered a bona fide component of the canonical membrane trafficking pathway. However, recent findings have started to pinpoint the interconnection between classical membrane trafficking pathways and autophagy. This review details the latest advances in our comprehension of the interplay between these two pathways. Understanding the overlap between autophagy and canonical membrane trafficking pathways is important to illuminate the inner workings of both pathways in plant cells.
Rational Materials Design for In Operando Electropolymerization of Evolvable Organic Electrochemical Transistors
Authors: Gerasimov Jennifer Y. , Halder Arnab , Mousa Abdelrazek H. , Ghosh Sarbani , Harikesh Padinhare Cholakkal , Abrahamsson Tobias , Bliman David , Strandberg Jan , Massetti Matteo , Zozoulenko Igor , Simon Daniel T. , Berggren Magnus , Olsson Roger , Fabiano Simone
Published: May 2022

Organic electrochemical transistors formed by in operando electropolymerization of the semiconducting channel are increasingly becoming recognized as a simple and effective implementation of synapses in neuromorphic hardware. However, very few studies have reported the requirements that must be met to ensure that the polymer spreads along the substrate to form a functional conducting channel. The nature of the interface between the substrate and various monomer precursors of conducting polymers through molecular dynamics simulations is investigated, showing that monomer adsorption to the substrate produces an increase in the effective monomer concentration at the surface. By evaluating combinatorial couples of monomers baring various sidechains with differently functionalized substrates, it is shown that the interactions between the substrate and the monomer precursor control the lateral growth of a polymer film along an inert substrate. This effect has implications for fabricating synaptic systems on inexpensive, flexible substrates.
In Situ Synthesis of MOF‐74 Family for High Areal Energy Density of Aqueous Nickel–Zinc Batteries
Authors: Chen Tingting , Wang Fanfan , Cao Shuai , Bai Yang , Zheng Shasha , Li Wenting , Zhang Songtao , Hu Shu‐Xian , Pang Huan
Published: May 2022

Limited by single metal active sites and low electrical conductivity, designing nickel‐based metal–organic framework (MOF) materials with high capacity and high energy density remains a challenge. Herein, a series of bi/multimetallic MOF‐74 family materials in situ grown on carbon cloth (CC) by doping Mx+ ions in Ni‐MOF‐74 is fabricated: NiM‐MOF@CC (M = Mn2+, Co2+, Cu2+, Zn2+, Al3+, Fe3+), and NiCoM‐MOF@CC (M = Mn2+, Zn2+, Al3+, Fe3+). The type and ratio of doping metal ions can be adjusted while the original topology is preserved. Different metal ions are confirmed by X‐ray absorption fine structure (XAFS). Furthermore, these Ni‐based MOF electrodes are directly utilized as cathodes for aqueous nickel–zinc batteries (NZBs). Among all the as‐prepared electrodes, NiCo‐MOF@CC‐3 (NCM@CC‐3), with an optimized Co/Ni ratio of 1:1, exhibits the best electrical conductivity, which is according to the density functional theory (DFT) theoretical calculations. The NCM@CC‐3//Zn@CC battery achieves a high specific capacity of 1.77 mAh cm–2, a high areal energy density of 2.97 mWh cm–2, and high cycling stability of 83% capacity retention rate after 6000 cycles. The synthetic strategy based on the coordination effect of metal ions and the concept of binder‐free electrodes provide a new direction for the synthesis of high‐performance materials in the energy‐storage field.
Highly Potassiophilic Graphdiyne Skeletons Decorated with Cu Quantum Dots Enable Dendrite‐Free Potassium‐Metal Anodes
Authors: Yi Yuyang , Li Jiaqiang , Gao Zhixiao , Liu Wenfeng , Zhao Yu , Wang Menglei , Zhao Wen , Han Yu , Sun Jingyu , Zhang Jin
Published: May 2022

Employing an Al foil current collector at the potassium anode side is an ideal choice to entail low‐cost and high‐energy potassium‐metal batteries (PMBs). Nevertheless, the poor affinity between the potassium and the planar Al can cause uneven K plating/stripping and, hence, an undermined anode performance, which remains a significant challenge to be addressed. Herein, a nitrogen‐doped carbon@graphdiyne (NC@GDY)‐modified Al current collector affording potassiophilic properties is proposed, which simultaneously suppresses the dendrite growth and prolongs the lifespan of K anodes. The thin and light modification layer (7 µm thick, with a mass loading of 500 µg cm−2) is fabricated by directly growing GDY nanosheets interspersed with Cu quantum dots on NC polyhedron templates. As a result, symmetric cell tests reveal that the K@NC@GDY‐Al electrode exhibits an unprecedented cycle life of over 2400 h at a 40% depth of discharge. Even at an 80% depth of discharge, the cell can still sustain for 850 h. When paired with a potassium Prussian blue cathode, the thus‐assembled full cell demonstrates comparable capacity and rate performance with state‐of‐the‐art PMBs.
Regioselective Synthesis of 3‐Trifluoromethyl 4‐Subtituted Pyrazoles by [3+2] Cycloaddition of Trifluoroacetonitrile Imines and Nitroalkenes
Authors: Wang Ke‐Hu , Liu Haimei , Liu Xiaoling , Bian Chang , Wang Junjiao , Su Yingpeng , Huang Danfeng , Hu Yulai
Published: May 2022

An efficient cycloaddition reaction of trifluoroacetohydrazonoyl bromides with nitroolefins was developed, which regioselectively produced 3‐trifluoromethyl‐4‐substituted pyrazoles. The reaction has the advantages of mild conditions, good tolerance of functional groups and simple operation.
Total Synthesis of Mutanobactins A, B from the Human Microbiome: Macrocyclization and Thiazepanone Assembly in a Single Step
Authors: Hansen Moritz E. , Yasmin Samuel O. , Wolfrum Susanne , Carreira Erick M.
Published: May 2022

We report the first total syntheses of tricyclic mutanobactins A and B, lipopeptides incorporating a thiazepanone, isolated from Streptococcus mutans, a member of the human oral microbiome. A rapid, solid‐phase peptide synthesis (SPPS) based route delivers these natural products from a cascade of cyclization reactions. This versatile process was also employed in a streamlined synthesis of mutanobactin D. Additionally, we provide an independent synthesis of a truncated mutanobactin A analog, utilizing a novel thiazepanone amino acid building block.
Superchaotropic Boron Clusters as Membrane Carriers for the Transport of Hydrophilic Cargos
Authors: Hu Xin‐Yue , Guo Dong‐Sheng
Published: May 2022

Design of membrane transporters is important in pharmaceutical drug delivery and bioimaging. Traditionally, the amphiphilic transport mechanism has governed the design of membrane carriers over the last 50 years. Recently, Montenegro, Nau and co‐workers discarded classical amphiphilic models and proposed a new transport principle based on the chaotropic effect. They utilized globular boron clusters as membrane carriers to transport a broad range of hydrophilic cargo. Herein, we highlight this recent pioneering work, which is a landmark for membrane transport.
An Ultrastable 155‐Nuclei Silver Nanocluster Protected by Thiacalix[4]arene and Cyclohexanethiol for Photothermal Conversion
Authors: Wang Zhi , Alkan Fahri , Aikens Christine M. , Kurmoo Mohamedally , Zhang Zhen‐Yi , Song Ke‐Peng , Tung Chen‐Ho , Sun Di
Published: May 2022

Thiacalix[4]arenes have emerged as a family of macrocyclic ligands to protect metal nanoparticles, but it remains a great challenge to solve the mystery of their structures at the atomic level, especially for those larger than 2 nm. Here, we report the largest known mixed‐valence silver nanocluster [Ag155(CyS)40(TC4A)5Cl2] (Ag155) protected by deprotonated cyclohexanethiol (CySH) and macrocyclic ligand p‐tert‐butylthiacalix[4]arene (H4TC4A). Its single‐crystal structure consists of a metallic core of four concentric shells, Ag13@Ag42@Ag30@Ag70, lined with a organic skin of 40CyS− and 5TC4A4− and 2Cl−. Ag155 manifests an unusual pseudo‐5‐fold symmetry dictated by the intrinsic metal atom packing and the regioselective distribution of mixed protective ligands. This work not only reveals a macrocyclic ligand effect on the formation of a large silver nanocluster, but also provides a new structural archetype for comprehensively perceiving their interface and metal kernel structures.
Synthesis and electrospinning of multiscale‐ordered PLA/LDH@AgGB composite nanofibrous membrane for antibacterial and oil–water separation
Authors: Cheng Xiao‐Qiong , Liu Wei , Zhang Chun , Chen Xiao‐Cheng , Duan Shu‐Qian , Fu Hai
Published: May 2022

In recent years, the problem of oily sewage has seriously affected the ecological environment and human health. Thus, we prepared a novel biodegradable poly (lactic acid) (PLA) membrane with antibacterial property and oil–water separation function via electrospinning method. First, the matter of silver ion glass microbeads (AgGB) loaded with layered double hydroxides (LDHs) and the LDH@AgGB modified with 3‐triethoxysilyl‐1‐Propanamine (APTES) were synthesized. Then, the LDH@AgGB were blended with PLA to prepare PLA/LDH@AgGB composite. And the PLA nanofibrous membranes were electrospun. The results showed that APTES could significantly improve the dispersion and compatibility of LDH@AgGB in PLA matrix. The addition of A‐LDH@AgGB could greatly improve the crystallinity, and control the porosity and pore‐size of PLA membranes. The maximum water contact angle of the PLA membranes could reach to 109.31°, while the oil contact angle of the PLA membranes decreased to 0° resulting in a high oil absorption capacity, and fast oil absorption rate performance. Meanwhile, the PLA membrane had efficient antibacterial property against Escherichia coli. The reported novel LDH@AgGB and its PLA composite membrane provided a method for designing and preparing environmental‐friendly, high‐performance materials with both excellent antibacterial property and oil–water separation.
Clustered restricted mean survival time regression
Authors: Chen Xinyuan , Harhay Michael O. , Li Fan
Published: May 2022

For multicenter randomized trials or multilevel observational studies, the Cox regression model has long been the primary approach to study the effects of covariates on time‐to‐event outcomes. A critical assumption of the Cox model is the proportionality of the hazard functions for modeled covariates, violations of which can result in ambiguous interpretations of the hazard ratio estimates. To address this issue, the restricted mean survival time (RMST), defined as the mean survival time up to a fixed time in a target population, has been recommended as a model‐free target parameter. In this article, we generalize the RMST regression model to clustered data by directly modeling the RMST as a continuous function of restriction times with covariates while properly accounting for within‐cluster correlations to achieve valid inference. The proposed method estimates regression coefficients via weighted generalized estimating equations, coupled with a cluster‐robust sandwich variance estimator to achieve asymptotically valid inference with a sufficient number of clusters. In small‐sample scenarios where a limited number of clusters are available, however, the proposed sandwich variance estimator can exhibit negative bias in capturing the variability of regression coefficient estimates. To overcome this limitation, we further propose and examine bias‐corrected sandwich variance estimators to reduce the negative bias of the cluster‐robust sandwich variance estimator. We study the finite‐sample operating characteristics of proposed methods through simulations and reanalyze two multicenter randomized trials.
Tumor‐associated macrophages regulate the function of cytotoxic T lymphocyte through PD‐1/PD‐L1 pathway in multiple myeloma
Authors: Zhang Jiangbo , Liu Zhaoyun , Cao Panpan , Wang Hao , Liu Hui , Hua Luoming , Xue Hua , Fu Rong
Published: May 2022

Background

Tumor‐associated macrophages (TAMs) are originated from circulating mononuclear cells in peripheral blood. They result from the recruitment of tumor cells and are a vital constituent of the tumor microenvironment. TAMs may be involved in the immunological escape of vicious clonal plasma cells (PC) in the bone marrow (BM) of sufferers with myeloma.

Methods

From March 2020 to January 2021, 28 healthy controls (HC) and 86 multiple myeloma (MM) (53 newly diagnosed MM [NDMM] and 33 remissions) patients were enrolled as objects of the study. The expression of TAMs in the BM, CSF1 on CD138 + cells, and CSF1R on macrophages were detected by the method of flow cytometry, and the expression of PD‐1 on CD8 + T cells and PD‐L1 on TAMs were also done. Bone marrow mononuclear cells (BMMNCs) were extracted and cultured into TAMs, CD8 + T cells were sorted by magnetic beads and cultured, a coculture system was established and different inhibitors were added. The expression of the perforin and granzyme B was detected by flow cytometry.

Results

The percentage of TAMs in NDMM group (61.49 ± 2.176%) increased when compared with remission (23.08 ± 1.699%, p < 0.001) and HC group (17.95 ± 1.865%, p < 0.001), and TAMs decreased after adding CSF1R inhibitor. Moreover, the expression of CSF1 on CD138 + cells increased significantly in NDMM group (17.090 ± 0.9156%) than remission (8.214 ± 0.5911% p < 0.001), and HC group (5.257 ± 0.6231%, p < 0.001), and CSF1R on macrophages increased significantly in NDMM group (58.78 ± 2.286%) than remission (20.74 ± 1.376%, p < 0.001) and HC group (17.42 ± 1.081%, p < 0.001). The expression of PD‐1 on CD8 + T cells in NDMM group (32.64 ± 2.982%) increased than remission (20.35 ± 2.335% p < 0.01) and HC group (17.53 ± 1.349%, p < 0.001), and PD‐L1 on TAMs also increased in NDMM group (50.92 ± 2.554%) than remission (20.02 ± 1.893%, p < 0.001) and HC group (13.08 ± 1.289%, p < 0.001). When CD8 + T cells were cocultured with TAMs, the perforin and granzyme B levels decreased significantly. However, the perforin and granzyme B levels were partly restored after adding CSF1R inhibitor and anti‐PD‐L1 antibody.

Conclusion

Our study shows that TAMs were increased in MM patients which can inhibit the function of cytotoxic T lymphocyte (CTL) through the PD‐1/ PD‐L1 signaling pathway and participate in the occurrence of immune escape of myeloma cells.
On‐purpose Ethylene Production via CO2‐assisted Ethane Oxidative Dehydrogenation: Selectivity Control of Iron Oxide Catalysts
Authors: Theofanidis Stavros A. , Kasun Kalhara Gunasooriya G. T. , Itskou Ioanna , Tasioula Maria , Lemonidou Angeliki A.
Published: May 2022

The potential of on‐purpose ethylene production, in parallel with CO2 conversion to CO, is of great interest. Iron oxide‐based catalysts supported on mixed oxides zNiO−MgO−ZrO2, z=0–10 wt%, are active for the CO2‐assisted oxidative dehydrogenation of ethane at 873 K and 101.3 kPa. Enhanced control of their selectivity towards C−H bond cleavage and not towards C−C bond cleavage can be achieved by adjusting the Ni/Fe ratio. Fine tuning Ni/Fe molar ratio results in stable catalytic performance, with selectivity towards C2H4 >65 % and C2H6 conversion >20 %. Density functional theory (DFT) calculations show a significant enhancement in activity due to decrease in the oxygen‐vacancy formation energy and the increase in hydrogen adsorption energy at the Ni oxide‐Fe oxide interface. The latter interface is the potential active site responsible for the enhanced performance that was experimentally exemplified for the Fe oxide/zNiO−MgO−ZrO2 catalysts vs Fe oxide/MgO−ZrO2.
Experimental Measurement and Quantification of the Local Cell Reaction in Blended Lithium Insertion Electrodes
Authors: Ariyoshi Kingo , Suzuki Rikuya
Published: May 2022

Blended electrodes in which two types of active materials are mixed exhibit synergetic effects due to the interplay between different active materials. Although a local cell reaction within the electrode plays an important role in the blended electrodes, its nature is not yet known because of difficulties associated with experimental measurements. In this study, we developed a method for measuring the local cell reaction using a blended electrode containing a mixture of Li[Ni1/2Mn3/2]O4 and Li[Li0.1Al0.1Mn1.8]O4. The rate of the local cell reaction was successfully quantified using the change in the open‐circuit potential after high‐current discharge. The current for the local cell reaction (ILCR) decreased in inverse proportion to the relaxation time after current interruption. ILCR could be formulated using t0, a parameter representing the time at which the local cell reaction started, and α, a coefficient representing the rate of the local cell reaction.
Amorphous and Crystalline Vanadium Orthophosphate and Oxidized Multiwalled Carbon Nanotube Composites as Anode Materials in Sodium‐Ion Batteries
Authors: Basa Anna , Gajko Ewelina , Goclon Jakub , Wilczewska Agnieszka Z. , Winkler Krzysztof
Published: May 2022

Vanadium orthophosphate and oxidized multiwalled carbon nanotube (ox‐MWCNT) composites were applied as anodic electroactive materials in a sodium‐ion battery. Carbon nanotubes reduce the resistance of anodic materials, prevent drastic volume expansion, and allow easy transport of electrolyte ions, leading to an improvement in the electrochemical performance of electroactive materials. Theoretical modeling of the VPO4 /ox‐CNT interphase indicates the conducting properties of the crystalline c‐VPO4 /ox‐MWCNT composite and the significant contribution of CNTs in the charge transfer process. As anodes in sodium‐ion batteries, crystalline VPO4 (c‐VPO4 ) and amorphous VPO4 (a‐VPO4 ) exhibited initial discharge capacities of 125 mAh g−1 and 110 mAh g−1, respectively. The incorporation of vanadium phosphate into the network of ox‐MWCNTs results in a large increase in the capacity performance of electroactive materials. Discharge capacities of 1642 mAh g−1 and 1680 mAh g−1 were obtained for the first cycle in the case of the c‐VPO4 /ox‐MWCNT 50 % w/w and a‐VPO4/ox‐MWCNT 50 % w/w anodes, respectively. The capacity of these composite materials significantly decreases in the second cycle, reaching a stable capacity performance. The limiting capacity was 328 mAh g−1 for composites containing 50 % w/w ox‐MWCNTs.
Synthesis of Mono‐fluoroallenes through Copper‐Catalyzed Defluorinative Silylation of α,α‐Difluoroalkylalkynes
Authors: Tang Luning , Pei Bing‐Bing , Song Yang , Xue Fei , Yue Yanni , Feng Chao
Published: May 2022

Comprehensive Summary

A straightforward protocol for the synthesis of mono‐fluorinated allenes via catalytic defluorinative silylation of the readily available α,α‐difluoroalkylalkynes with commercially available copper catalyst and phosphine ligand is described. A broad scope of α,α‐difluoroalkylalkynes were well accommodated and a gram‐scale synthesis demonstrated the synthetic utility of this methodoglogy.
A Crystalline Supramolecular Rotor Functioned by Dual Ultrasmall Polar Rotators†
Authors: Li Wang , Liu De‐Xuan , Hu Wei‐Yu , Liu Qing‐Yan , Du Zi‐Yi , He Chun‐Ting , Zhang Wei‐Xiong , Chen Xiao‐Ming
Published: May 2022

Comprehensive Summary

As an extended model of conventional molecular rotors, a conceived construction of novel crystalline molecular rotor that simultaneously contains two discrete polar rotators is presented here. The supramolecular self‐assembly of 18‐crown‐6 host and two rotator‐containing ion‐pair guests affords a three‐in‐one cocrystal, (2‐NH3‐iBuOH)(18‐crown‐6)[ZnBr3(H2O)], in which the hydroxyl group and aqua ligand both function as ultrasmall polar rotators. On the basis of the variable‐temperature single‐crystal X‐ray diffraction, variable‐temperature/frequency dielectric response, density functional theory calculations, and molecular dynamics simulations, it is found that such dual polar rotators experience a gradually enhanced rotation with increasing temperature, and more importantly, could be controlled by a reversible polar‐to‐polar structural phase transition, i.e., from a “single‐(polar rotator)” state at low‐temperature phase to a “mixed‐dual‐(polar rotator)” state in the vicinity of transition, and to an unusual “synchronized‐dual‐(polar rotator)” state at high‐temperature phase.
ChemPlot, a Python Library for Chemical Space Visualization**
Authors: Cihan Sorkun Murat , Mullaj Dajt , Koelman J. M. Vianney A. , Er Süleyman
Published: May 2022

Visualizing chemical spaces streamlines the analysis of molecular datasets by reducing the information to human perception level, hence it forms an integral piece of molecular engineering, including chemical library design, high‐throughput screening, diversity analysis, and outlier detection. We present here ChemPlot, which enables users to visualize the chemical space of molecular datasets in both static and interactive ways. ChemPlot features structural and tailored similarity methods, together with three different dimensionality reduction methods: PCA, t‐SNE, and UMAP. ChemPlot is the first visualization software that tackles the activity/property cliff problem by incorporating tailored similarity. With tailored similarity, the chemical space is constructed in a supervised manner considering target properties. Additionally, we propose a metric, the Distance Property Relationship score, to quantify the property difference of similar (i. e. close) molecules in the visualized chemical space. ChemPlot can be installed via Conda or PyPI (pip) and a web application is freely accessible at https://www.amdlab.nl/chemplot/.
A three‐dimensional atlas of the honeybee central complex, associated neuropils and peptidergic layers of the central body
Authors: Kaiser Andreas , Hensgen Ronja , Tschirner Katja , Beetz Evelyn , Wüstenberg Hauke , Pfaff Marcel , Mota Theo , Pfeiffer Keram
Published: May 2022

The central complex (CX) in the brain of insects is a highly conserved group of midline‐spanning neuropils consisting of the upper and lower division of the central body, the protocerebral bridge, and the paired noduli. These neuropils are the substrate for a number of behaviors, most prominently goal‐oriented locomotion. Honeybees have been a model organism for sky‐compass orientation for more than 70 years, but there is still very limited knowledge about the structure and function of their CX. To advance and facilitate research on this brain area, we created a high‐resolution three‐dimensional atlas of the honeybee's CX and associated neuropils, including the posterior optic tubercles, the bulbs, and the anterior optic tubercles. To this end, we developed a modified version of the iterative shape averaging technique, which allowed us to achieve high volumetric accuracy of the neuropil models. For a finer definition of spatial locations within the central body, we defined layers based on immunostaining against the neuropeptides locustatachykinin, FMRFamide, gastrin/cholecystokinin, and allatostatin and included them into the atlas by elastic registration. Our honeybee CX atlas provides a platform for future neuroanatomical work.
Forensics chain for evidence preservation system: An evidence preservation forensics framework for internet of things‐based smart city security using blockchain
Authors: Kamal Randa , Hemdan Ezz El‐Din , El‐Fishway Nawal
Published: May 2022

In recent times, the new revolution of IoT facilitates communication and information sharing among people in different domains like a smart city. This revolution came with a risk of cyber‐attacks that target devices and shared data. The digital evidence resulting from the digital forensics process applied to IoT devices must be kept safe for later analysis. Preserving digital evidence on a centralized server raises the risk of a single point of failure. Evidence preserving on cloud servers raises the tampering risk with the evidence or even sharing them with malicious third parties. Therefore, this paper presents a novel framework called Forensics Chain for Evidence Preservation System for IoT‐based smart city security. The proposed framework aims to integrate blockchain with digital forensics to overcome the problems faced by forensic investigators; single point of failure and/or evidence modifications and enhance the security of preserving digital evidence via applying blockchain. Applying blockchain guarantees the immutability and data integrity of the preserved evidence. Furthermore, preserving the digital evidence among the forensic participant nodes eliminates the possibility of the single‐point failure of a centralized storage server. The results provided a Proof of Concept for forensic evidence preservation based on blockchain and evaluated its performance.
Unveiling the Migration and Transformation Mechanism of Lignin in Eucalyptus During Deep Eutectic Solvent Pretreatment
Authors: Hong Si , Li Han‐Yin , Shen Xiao‐Jun , Sun Shao‐Ni , Sun Zhuohua , Yuan Tong‐Qi
Published: May 2022

Deep eutectic solvents (DESs) have unique advantages in biomass conversion. However, the migration and transformation mechanism of lignin in the cell wall during the DES pretreatment is still elusive. In this work, Eucalyptus blocks were pretreated in choline chloride/lactic acid DES to reveal the lignin migration. Meanwhile, the remaining lignin in the pretreated residue, the regenerated DES lignin, and the solubilized degraded lignin in the recovered DES were investigated to decipher the lignin transformation. Results showed that the DES pretreatment resulted in the penetration of DES from the cell lumen to the cell wall, and lignin in the secondary wall was more easily dissolved than that in the cell corner middle lamella. The syringyl unit of lignin was better stabilized in the DES than the guaiacyl unit of lignin. The condensed lignin fraction mainly remained in the pretreated residue, while the solubilized degraded lignin fraction was monomeric aromatic ketone compounds. This study elucidates the fate of lignin during the DES pretreatment, which could also promote the development of a modern lignocellulosic pretreatment technique.
Hepatic pannexin‐1 mediates ST2+ regulatory T cells promoting resolution of inflammation in lipopolysaccharide‐induced endotoxemia
Authors: Wang Pusen , Shi Baojie , Wang Chunguang , Wang Yuanyuan , Que Weitao , Jiang Zhongyi , Liu Xueni , Jiang Qianwei , Li Hao , Peng Zhihai , Zhong Lin
Published: May 2022

Sepsis remains the most lethal infectious disease and substantially impairs patient prognosis after liver transplantation (LT). Our previous study reported a role of the pannexin 1 (PANX1)–interleukin‐33 (IL‐33) axis in activating innate immunity to protect against methicillin‐resistant Staphylococcus aureus infection; however, the role of PANX1 in regulating adaptive immunity in sepsis and the underlying mechanism are unclear. In this study, we examined the role of the PANX1–IL‐33 axis in protecting against sepsis caused by a gram‐negative bacterial infection in an independent LT cohort. Next, in animal studies, we assessed the immunological state of Panx1−/‐ mice with lipopolysaccharide (LPS)‐induced endotoxemia and then focused on the cytokine storm and regulatory T cells (Tregs), which are crucial for the resolution of inflammation. To generate liver‐specific Panx1‐deficient mice and mimic clinical LT procedures, a mouse LT model was established. We demonstrated that hepatic PANX1 deficiency exacerbated LPS‐induced endotoxemia and dysregulated the immune response in the mouse LT model. In hepatocytes, we confirmed that PANX1 positively regulated IL‐33 synthesis after LPS administration. We showed that the adenosine triphosphate‐P2X7 pathway regulated the hepatic PANX1–IL‐33 axis during endotoxemia in vitro and in vivo. Recombinant IL‐33 treatment rescued LPS‐induced endotoxemia by increasing the numbers of liver‐infiltrating ST2+ Tregs and attenuating the cytokine storm in hepatic PANX1‐deficient mice. In conclusion, our findings revealed that the hepatic PANX1–IL‐33 axis protects against endotoxemia and liver injury by targeting ST2+ Tregs and promoting the early resolution of hyperinflammation.
Retrospective comparisons of competing demographic models give clarity from “messy” management on a Scottish grouse moor
Authors: Powell Larkin A. , Aebischer Nicholas J. , Ludwig Sonja C. , Baines David
Published: May 2022

Retrospective comparison of predictive models that describe competing hypotheses regarding system function can shed light on regulatory mechanisms within the framework of adaptive resource management. We applied this approach to a 28‐year study of red grouse (Lagopus lagopus scotica) in Scotland, with the aims of reducing uncertainty regarding important drivers of grouse population dynamics, and of evaluating the efficacy of using seasonal versus annual model assessments. We developed three sets of models that predicted pre‐breeding and post‐breeding grouse density, matching the timing of grouse counts on the ground. We updated conditions and management through time in the spirit of a real‐time, adaptive management program and used a Bayesian model weight updating process to compare model predictions with empirical grouse densities. The first two model sets involved single annual updates from either pre‐breeding or post‐breeding counts; the third set was updated twice a year. Each model set comprised seven models representing increasingly complex hypotheses regarding potentially important drivers of grouse: the baseline model included weather and parasite effects on productivity, shooting losses and density‐dependent overwinter survival; subsequent models incorporated the effect of habitat gain/loss (HAB), control of non‐protected predators (NPP) and predation by protected hen harriers (Circus cyaneus, HH) and buzzards (Buteo buteo, BZ). The weight of evidence was consistent across model sets, settling within 10 years on the harrier (NPP + HH), buzzard (NPP + HH + BZ) and buzzard + habitat (NPP + HH + BZ + HAB) models, and downgrading the baseline + habitat, non‐protected predator, and non‐protected predator + habitat models. By the end of the study only the buzzard and buzzard + habitat models retained substantial weights, emphasizing the dynamical complexity of the system. Habitat inclusion failed to improve model predictions, implying that over the period of this study habitat quantity was unimportant in determining grouse abundance. Comparing annually and biannually assessed model sets, the main difference was in the baseline model, whose weight increased or remained stable when assessed annually, but collapsed when assessed biannually. Our adaptive modeling approach is suitable for many ecological situations in which a complex interplay of factors makes experimental manipulation difficult.
An environmental gradient dominates ecological and genetic differentiation of marine invertebrates between the North and Baltic Sea
Authors: Geburzi Jonas C. , Heuer Nele , Homberger Lena , Kabus Jana , Moesges Zoe , Ovenbeck Kira , Brandis Dirk , Ewers Christine
Published: May 2022

Environmental gradients have emerged as important barriers to structuring populations and species distributions. We set out to test whether the strong salinity gradient from the marine North Sea to the brackish Baltic Sea in northern Europe represents an ecological and genetic break, and to identify life history traits that correlate with the strength of this break. We accumulated mitochondrial cytochrome oxidase subunit 1 sequence data, and data on the distribution, salinity tolerance, and life history for 28 species belonging to the Cnidaria, Crustacea, Echinodermata, Mollusca, Polychaeta, and Gastrotricha. We included seven non‐native species covering a broad range of times since introduction, in order to gain insight into the pace of adaptation and differentiation. We calculated measures of genetic diversity and differentiation across the environmental gradient, coalescent times, and migration rates between North and Baltic Sea populations, and analyzed correlations between genetic and life history data. The majority of investigated species is either genetically differentiated and/or adapted to the lower salinity conditions of the Baltic Sea. Species exhibiting population structure have a range of patterns of genetic diversity in comparison with the North Sea, from lower in the Baltic Sea to higher in the Baltic Sea, or equally diverse in North and Baltic Sea. Two of the non‐native species showed signs of genetic differentiation, their times since introduction to the Baltic Sea being about 80 and >700 years, respectively. Our results indicate that the transition from North Sea to Baltic Sea represents a genetic and ecological break: The diversity of genetic patterns points toward independent trajectories in the Baltic compared with the North Sea, and ecological differences with regard to salinity tolerance are common. The North Sea–Baltic Sea region provides a unique setting to study evolutionary adaptation during colonization processes at different stages by jointly considering native and non‐native species.
Ego network analysis of the trophic structure of an island land bird through 300 years of climate change and invaders
Authors: Olesen Jens M.
Published: May 2022

Ego net analysis is a well‐known practice in social sciences, where an ego net (EN) consists of a focal node, the ego, and its links to other nodes, called alters, and alter–alter links may also be included. An EN describes how a focal node is embedded in its interaction context. Here, I introduce EN analysis to ecology in a study of the trophic network of a sub‐Antarctic land bird, Lesser Sheathbill (Chionis minor). Data originate from the sheathbill population on Marion Island in the Southern Ocean. The bird is ego and its enemies and food are alters. The EN is organized along three dimensions: habitat, interaction type, and time (from before human arrival in 1803 and until a future year 2100). Ten EN descriptors are defined, estimated, and used to track the 300 years of change in sheathbill EN structure. Since 1803, the EN has passed two major, but reversible shifts—seal exploitation in the 19th century and presence of cats from 1949 to 1991. These shifts can be read as structural changes in the sheathbill EN. In the future, a third, perhaps irreversible change is predicted, driven by climate change and a surprising, recent shift to seabird predation by House Mouse, the most detrimental of all extant invaders on Marion. In a warmer and drier future, the mouse will proliferate, and if this forces seabirds to abandon the island, their accumulation of detritus runs dry, starving a rich invertebrate detritivore fauna, which also is a key food source to sheathbills. These detritivores together with plants have also constituted the main food sources of mice. The EN descriptors quantify that story. In the future, these events may lead to a collapse of the island ecosystem, including extinction of the sheathbill—unless plans for mouse eradication are implemented.
Small mammal responses to fire severity mediated by vegetation characteristics and species traits
Authors: Culhane Kathryn , Sollmann Rahel , White Angela M. , Tarbill Gina L. , Cooper Scott D. , Young Hillary S.
Published: May 2022

The frequency of large, high‐severity “mega‐fires” has increased in recent decades, with numerous consequences for forest ecosystems. In particular, small mammal communities are vulnerable to post‐fire shifts in resource availability and play critical roles in forest ecosystems. Inconsistencies in previous observations of small mammal community responses to fire severity underscore the importance of examining mechanisms regulating the effects of fire severity on post‐fire recovery of small mammal communities. We compared small mammal abundance, diversity, and community structure among habitats that burned at different severities, and used vegetation characteristics and small mammal functional traits to predict community responses to fire severity three years after one mega‐fire in the Sierra Nevada, California. Using a model‐based fourth‐corner analysis, we examined how interactions between vegetation variables and small mammal traits associated with their resource use were associated with post‐fire small mammal community structure among fire severity categories. Small mammal abundance was similar across fire severity categories, but diversity decreased and community structure shifted as fire severity increased. Differences in small mammal communities were large only between unburned and high‐severity sites. Three highly correlated fire‐dependent vegetation variables affected by fire and the volume of soft coarse woody debris were associated with small mammal community structures. Furthermore, we found that interactions between vegetation variables and three small mammal traits (feeding guild, primary foraging mode, and primary nesting habit) predicted community structure across fire severity categories. We concluded that resource use was important in regulating small mammal recovery after the fire because vegetation provided required resources to small mammals as determined by their functional traits. Given the mechanistic nature of our analyses, these results may be applicable to other fire‐prone forest systems, although it will be important to conduct studies across large biogeographic regions and over long post‐fire time periods to assess generality.
Comparative transcriptomic analysis of genes in the triterpene saponin biosynthesis pathway in leaves and roots of Ardisia kteniophylla A. DC., a plant used in traditional Chinese medicine
Authors: Lei Yuyang , Harris AJ , Wang Aihua , Zhao Liyun , Luo Ming , Li Ji , Chen Hongfeng
Published: May 2022

Ardisia kteniophylla (Primulaceae) is highly valued in traditional medicine due to its production of the pharmacologically active secondary metabolites, especially triterpenoid saponins in its roots. Although A. kteniophylla is very important in traditional medicine, the genetic basis for its production of triterpenoid saponins remains largely unknown. Therefore, we sequenced transcriptomes of A. kteniophylla to identify putative genes involved in production of triterpenoid saponins in both leaves and roots, and we used the transcriptomes to compare expression levels of these genes between the two organ systems. The production of triterpenoid saponins in plants is usually induced through hormonal signaling on account of the presence of pests. Thus, we treated plants with the hormones salicylic acid (SA) and methyl jasmonate (MeJA) and used quantitative real‐time PCR (qRT‐PCR) to investigate expression levels of genes involved in triterpenoid saponin biosynthesis. In total, we obtained transcriptomes for leaf and root tissues representing 52,454 unigenes. Compared with the leaf transcriptome, we found that 6092 unigenes were upregulated in the root, especially enzymes involved in the direct synthesis of triterpenoid saponins, while 6001 genes appeared downregulated, including those involved in precursory steps in the triterpenoid saponin biosynthesis pathway. Our results from qRT‐PCR indicate that genes within the upstream parts of the triterpenoid saponin biosynthesis pathway may be upregulated under exposure to the applied hormones, but downstream genes are downregulated. This suggests possible conflicting effects of SA and MeJA in promoting the production of secondary metabolites on the one hand, and, on the other, limiting plant growth processes to devote energy to combating pests. We also performed an analysis of transcription factors (TFs) and found 997 unique transcripts belonging to 16 TF families. Our data may help to facilitate future work on triterpene saponins biosynthesis in A. kteniophylla with potential pharmacological and molecular breeding applications.
DNA metabarcoding reveals a broad dietary range for Tasmanian devils introduced to a naive ecosystem
Authors: McLennan Elspeth A. , Wise Phil , Lee Andrew V. , Grueber Catherine E. , Belov Katherine , Hogg Carolyn J.
Published: May 2022

Top carnivores are essential for maintaining ecosystem stability and biodiversity. Yet, carnivores are declining globally and current in situ threat mitigations cannot halt population declines. As such, translocations of carnivores to historic sites or those outside the species’ native range are becoming increasingly common. As carnivores are likely to impact herbivore and small predator populations, understanding how carnivores interact within an ecosystem following translocation is necessary to inform potential remedial management and future translocations. Dietary analyses provide a preliminary assessment of the direct influence of translocated carnivores on a recipient ecosystem. We used a metabarcoding approach to quantify the diet of Tasmanian devils introduced to Maria Island, Tasmania, a site outside the species’ native range. We extracted DNA from 96 scats and used a universal primer set targeting the vertebrate 12S rRNA gene to identify diet items. Tasmanian devils on Maria Island had an eclectic diet, with 63 consumed taxa identified. Cat DNA was detected in 14% of scats, providing the first instance of cats appearing as part of Tasmanian devil diets either via predation or scavenging. Short‐tail shearwaters and little penguins were commonly consumed, corresponding with previous surveys showing sharp population declines in these species since the introduction of Tasmanian devils. Our results indicate that the introduction of carnivores to novel ecosystems can be very successful for the focal species, but that commonly consumed species should be closely monitored to identify any vulnerable species in need of remedial management.