bluuebunny/crossref_metadata_2025 huggingface dataset:
Rotational coherence of encapsulated ortho and para water in fullerene-C60 revealed by time-domain terahertz spectroscopy
Authors: Zhukov Sergey S. , Balos Vasileios , Hoffman Gabriela , Alom Shamim , Belyanchikov Mikhail , Nebioglu Mehmet , Roh Seulki , Pronin Artem , Bacanu George R. , Abramov Pavel , Wolf Martin , Dressel Martin , Levitt Malcolm H. , Whitby Richard J. , Gorshunov Boris , Sajadi Mohsen
Published: October 2020

We resolve the real-time coherent rotational motion of isolated water molecules encapsulated in fullerene-C60 cages by time-domain terahertz (THz) spectroscopy. We employ single-cycle THz pulses to excite the low-frequency rotational motion of water and measure the subsequent coherent emission of electromagnetic waves by water molecules. At temperatures below ~ 100 K, C60 lattice vibrational damping is mitigated and the quantum dynamics of confined water are resolved with a markedly long rotational coherence, extended beyond 10 ps. The observed rotational transitions agree well with low-frequency rotational dynamics of single water molecules in the gas phase. However, some additional spectral features with their major contribution at ~2.26 THz are also observed which may indicate interaction between water rotation and the C60 lattice phonons. We also resolve the real-time change of the emission pattern of water after a sudden cooling to 4 K, signifying the conversion of ortho-water to para-water over the course of 10s hours. The observed long coherent rotational dynamics of isolated water molecules confined in C60 makes this system an attractive candidate for future quantum technology.
Nano- to microscale three-dimensional morphology relevant to transport properties in reactive porous composite paint films
Authors: Liu Xiaoyang , Di Tullio Valeria , Lin Yu-Chung , De Andrade Vincent , Zhao Chonghang , Lin Cheng-Hung , Wagner Molly , Zumbulyadis Nicholas , Dybowski Cecil , Centeno Silvia A. , Chen-Wiegart Yu-chen Karen
Published: October 2020

The quantitative evaluation of the three-dimensional (3D) morphology of porous composite materials is important for understanding mass transport phenomena, which further impact their functionalities and durability. Reactive porous paint materials are composites in nature and widely used in arts and technological applications. In artistic oil paintings, ambient moisture and water and organic solvents used in conservation treatments are known to trigger multiple physical and chemical degradation processes; however, there is no complete physical model that can quantitatively describe their transport in the paint films. In the present study, model oil paints with lead white (2PbCO3·Pb(OH)2) and zinc white (ZnO) pigments, which are frequently found in artistic oil paintings and are associated with the widespread heavy metal soap deterioration, were studied using synchrotron X-ray nano-tomography and unilateral nuclear magnetic resonance. This study aims to establish a relationship among the paints’ compositions, the 3D morphological properties and degradation. This connection is crucial for establishing reliable models that can predict transport properties of solvents used in conservation treatments and of species involved in deterioration reactions, such as soap formation.
Discerning the thermodynamic feasibility of the spontaneous coexistence of multiple functional vegetation groups
Authors: Richardson Meredith , Kumar Praveen
Published: October 2020

Can the Second Law of Thermodynamics explain why ecosystems naturally organize into a complex structure composed of multiple vegetation species and functional groups? Ecosystem structure, which refers to the number and type of plant functional groups, is the result of self-organization, or the spontaneous emergence of order from random fluctuations. By considering ecosystems as open thermodynamic systems, we model and study these fluctuations of throughput signatures on short timescales to determine the drivers and characteristics of ecosystem structure. This diagnostic approach allows us to use fluxes of energy and entropy to calculate an ecosystem’s estimated work and understand the thermodynamic behavior of the system. We use a multi-layer canopy-root-soil model to calculate the energy and entropy fluxes of different scenarios for field sites across various climates. At each site, scenarios comprised of native individual plant functional groups and a coexisting multi-group composition scenario including all functional groups observed at the site are compared. Ecosystem-scale calculations demonstrate that entropy fluxes and work efficiency—the work performed for the amount of radiation entering the ecosystem—are greatest in the multi-group scenario when its leaf area is significantly larger than each of its individual functional groups. Thus, we conclude that ecosystems self-organize towards the vegetation structure with the greatest outgoing entropy flux and work efficiency, resulting in the coexistence of multiple functional groups and performing the maximum amount of work within the constraints of locally available energy, water, and nutrients.
The trans-kingdom battle between donor and recipient gut microbiome influences fecal microbiota transplantation outcome
Authors: Kazemian Negin , Ramezankhani Milad , Sehgal Aarushi , Khalid Faizan Muhammad , Kalkhoran Amir Hossein Zeinali , Narayan Apurva , Wong Gane Ka-Shu , Kao Dina , Pakpour Sepideh
Published: October 2020

Fundamental restoration ecology and community ecology theories can help us better understand the underlying mechanisms of fecal microbiota transplantation (FMT) and to better design future microbial therapeutics for recurrent Clostridioides difficile infections (rCDI) and other dysbiosis-related conditions. In this study, stool samples were collected from donors and rCDI patients one week prior to FMT (pre-FMT), as well as from patients one week following FMT (post-FMT). Using metagenomic sequencing and machine learning, our results suggested that FMT outcome is not only dependent on the ecological structure of the recipients, but also the interactions between the donor and recipient microbiomes at the taxonomical and functional levels. We observed that the presence of specific bacteria in donors (Clostridioides spp., Desulfovibrio spp., Odoribacter spp. and Oscillibacter spp.) and the absence of fungi (Yarrowia spp.) and bacteria (Wigglesworthia spp.) in recipients prior to FMT could predict FMT success. Our results also suggested a series of interlocked mechanisms for FMT success, including the repair of the disturbed gut ecosystem by transient colonization of nexus species followed by secondary succession of bile acid metabolizers, sporulators, and short chain fatty acid producers.
Stratified layer analysis reveals intrinsic leptin stimulates cryptal mesenchymal cells for controlling mucosal inflammation
Authors: Matsumura Seiichi , Kurashima Yosuke , Murasaki Sayuri , Morimoto Masako , Arai Fujimi , Saito Yukari , Katayama Nana , Kim Dayoung , Inagaki Yutaka , Kudo Takahiro , Ernst Peter B. , Shimizu Toshiaki , Kiyono Hiroshi
Published: October 2020

Mesenchymal cells in the crypt play indispensable roles in the maintenance of intestinal epithelial homeostasis through their contribution to the preservation of stem cells. However, the acquisition properties of the production of stem cell niche factors by the mesenchymal cells have not been well elucidated, due to technical limitations regarding the isolation and subsequent molecular and cellular analyses of cryptal mesenchymal cells. To evaluate the function of mesenchymal cells located at the large intestinal crypt, we established a novel method through which cells are harvested according to the histologic layers of mouse colon, and we compared cellular properties between microenvironmental niches, the luminal mucosa and crypts. The gene expression pattern in the cryptal mesenchymal cells showed that receptors of the hormone/cytokine leptin were highly expressed, and we found a decrease in Wnt2b expression under conditions of leptin receptor deficiency, which also induced a delay in cryptal epithelial proliferation. Our novel stratified layer isolation strategies thus revealed new microenvironmental characteristics of colonic mesenchymal cells, including the intrinsic involvement of leptin in the control of mucosal homeostasis.
Needle-injectable microcomposite cryogel scaffolds with antimicrobial properties
Authors: Joshi Navare Kasturi , Colombani Thibault , Rezaeeyazdi Mahboobeh , Bassous Nicole , Rana Devyesh , Webster Thomas , Memic Adnan , Bencherif Sidi A.
Published: October 2020

Porous three-dimensional hydrogel scaffolds have an exquisite ability to promote tissue repair. However, because of their high water content and invasive nature during surgical implantation, hydrogels are at an increased risk of bacterial infection. Recently, we have developed elastic biomimetic cryogels, an advanced type of polymeric hydrogel, that are syringe-deliverable through hypodermic needles. These needle-injectable cryogels have unique properties, including large and interconnected pores, mechanical robustness, and shape-memory. Like hydrogels, cryogels are also susceptible to colonization by microbial pathogens. To that end, our minimally invasive cryogels have been engineered to address this challenge. Specifically, we hybridized the cryogels with calcium peroxide microparticles to controllably produce bactericidal hydrogen peroxide. Our novel microcomposite cryogels exhibit antimicrobial properties and inhibit antibiotic-resistant bacteria (MRSA and Pseudomonas aeruginosa), the most common cause of biomaterial implant failure in modern medicine. Moreover, the cryogels showed negligible cytotoxicity toward murine fibroblasts and prevented activation of primary bone marrow-derived dendritic cells ex vivo. Finally, in vivo data suggested tissue integration, biodegradation, and minimal host inflammatory responses when the antimicrobial cryogels, even when purposely contaminated with bacteria, were subcutaneously injected in mice. Collectively, these needle-injectable microcomposite cryogels show great promise for biomedical applications, especially in tissue engineering and regenerative medicine.
Progressive seawater acidification on the Great Barrier Reef continental shelf
Authors: Fabricius Katharina E. , Neill Craig , Van Ooijen Erik , Smith Joy N. , Tilbrook Bronte
Published: October 2020

Coral reefs are highly sensitive to ocean acidification due to rising atmospheric CO2 concentrations. We present 10 years of data (2009–2019) on the long-term trends and sources of variation in the carbon chemistry from two fixed stations in the Australian Great Barrier Reef. Data from the subtropical mid-shelf GBRWIS comprised 3-h instrument records, and those from the tropical coastal NRSYON were monthly seawater samples. Both stations recorded significant variation in seawater CO2 fugacity (fCO2), attributable to seasonal, daytime, temperature and salinity fluctuations. Superimposed over this variation, fCO2 progressively increased by > 2.0 ± 0.3 µatm year−1 at both stations. Seawater temperature and salinity also increased throughout the decade, whereas seawater pH and the saturation state of aragonite declined. The decadal upward fCO2 trend remained significant in temperature- and salinity-normalised data. Indeed, annual fCO2 minima are now higher than estimated fCO2 maxima in the early 1960s, with mean fCO2 now ~ 28% higher than 60 years ago. Our data indicate that carbonate dissolution from the seafloor is currently unable to buffer the Great Barrier Reef against ocean acidification. This is of great concern for the thousands of coral reefs and other diverse marine ecosystems located in this vast continental shelf system.
Experimental and computation assessment of thermomechanical effects during auxetic foam fabrication
Authors: Critchley Richard , Smy Victoria , Corni Ilaria , Wharton Julian A. , Walsh Frank C. , Wood Robert J. K. , Stokes Keith R.
Published: October 2020

Auxetic foams continue to interest researchers owing to their unique and enhanced properties. Existing studies attest to the importance of fabrication mechanisms and parameters. However, disparity in thermo-mechanical parameters has left much debate as to which factors dominate fabrication output quality. This paper provides experimental, computational, and statistical insights into the mechanisms that enable auxetic foams to be produced, using key parameters reported within the literature: porosity; heating time; and volumetric compression ratio. To advance the considerations on manufacturing parameter dominance, both study design and scale have been optimised to enable statistical inferences to be drawn. Whilst being unusual for a manufacturing domain, such additional analysis provides more conclusive evidence of auxetic properties and highlights the supremacy of volumetric compression ratio in predicting Poisson’s ratio outcomes in the manufacture process. Furthermore statistical results are exploited to formulate key recommendations for those wishing to maximise/optimise auxetic foam production.
Fruit volatilome profiling through GC × GC-ToF-MS and gene expression analyses reveal differences amongst peach cultivars in their response to cold storage
Authors: Muto Antonella , Müller Carsten T. , Bruno Leonardo , McGregor Laura , Ferrante Antonio , Chiappetta Adriana Ada Ceverista , Bitonti Maria Beatrice , Rogers Hilary J. , Spadafora Natasha Damiana
Published: October 2020

Peaches have a short shelf life and require chilling during storage and transport. Peach aroma is important for consumer preference and determined by underlying metabolic pathways and gene expression. Differences in aroma (profiles of volatile organic compounds, VOCs) have been widely reported across cultivars and in response to cold storage. However, few studies used intact peaches, or used equilibrium sampling methods subject to saturation. We analysed VOC profiles using TD-GC × GC-ToF-MS and expression of 12 key VOC pathway genes of intact fruit from six cultivars (three peaches, three nectarines) before and after storage at 1 °C for 7 days including 36 h shelf life storage at 20 °C. Two dimensional GC (GC × GC) significantly enhances discrimination of thermal desorption gas chromatography time-of-flight mass spectrometry (TD-GC-ToF-MS) and detected a total of 115 VOCs. A subset of 15 VOCs from analysis with Random Forest discriminated between cultivars. Another 16 VOCs correlated strongly with expression profiles of eleven key genes in the lipoxygenase pathway, and both expression profiles and VOCs discriminated amongst cultivars, peach versus nectarines and between treatments. The cultivar-specific response to cold storage underlines the need to understand more fully the genetic basis for VOC changes across cultivars.
Transcriptome analysis of chicken intraepithelial lymphocyte natural killer cells infected with very virulent infectious bursal disease virus
Authors: Boo Sook Yee , Tan Sheau Wei , Alitheen Noorjahan Banu , Ho Chai Ling , Omar Abdul Rahman , Yeap Swee Keong
Published: October 2020

The infectious bursal disease (IBD) is an acute immunosuppressive viral disease that significantly affects the economics of the poultry industry. The IBD virus (IBDV) was known to infect B lymphocytes and activate macrophage and T lymphocytes, but there are limited studies on the impact of IBDV infection on chicken intraepithelial lymphocyte natural killer (IEL-NK) cells. This study employed an mRNA sequencing approach to investigate the early regulation of gene expression patterns in chicken IEL-NK cells after infection with very virulent IBDV strain UPM0081. A total of 12,141 genes were expressed in uninfected chicken IEL-NK cells, and most of the genes with high expression were involved in the metabolic pathway, whereas most of the low expressed genes were involved in the cytokine-cytokine receptor pathway. A total of 1,266 genes were differentially expressed (DE) at 3 day-post-infection (dpi), and these DE genes were involved in inflammation, antiviral response and interferon stimulation. The innate immune response was activated as several genes involved in inflammation, antiviral response and recruitment of NK cells to the infected area were up-regulated. This is the first study to examine the whole transcriptome profile of chicken NK cells towards IBDV infection and provides better insight into the early immune response of chicken NK cells.
Silencing of sinusoidal DDR1 reduces murine liver metastasis by colon carcinoma
Authors: Romayor Irene , Badiola Iker , Benedicto Aitor , Márquez Joana , Herrero Alba , Arteta Beatriz , Olaso Elvira
Published: October 2020

Liver metastasis depends on the collagenous microenvironment generated by hepatic sinusoidal cells (SCs). DDR1 is an atypical collagen receptor linked to tumor progression, but whether SCs express DDR1 and its implication in liver metastasis remain unknown. Freshly isolated hepatic stellate cells (HSCs), Kupffer cells (KCs), and liver sinusoidal endothelial cells (LSECs), that conform the SCs, expressed functional DDR1. HSCs expressed the largest amounts. C26 colon carcinoma secretomes increased DDR1 phosphorylation in HSCs and KCs by collagen I. Inhibition of kinase activity by DDR1-IN-1 or mRNA silencing of DDR1 reduced HSCs secretion of MMP2/9 and chemoattractant and proliferative factors for LSECs and C26 cells. DDR1-IN-1 did not modify MMP2/9 in KCs or LSECs secretomes, but decreased the enhancement of C26 migration and proliferation induced by their secretomes. Gene array showed that DDR1 silencing downregulated HSCs genes for collagens, MMPs, interleukins and chemokines. Silencing of DDR1 before tumor inoculation reduced hepatic C26 metastasis in mice. Silenced livers bore less tumor foci than controls. Metastatic foci in DDR1 silenced mice were smaller and contained an altered stroma with fewer SCs, proliferating cells, collagen and MMPs than foci in control mice. In conclusion, hepatic DDR1 promotes C26 liver metastasis and favors the pro-metastatic response of SCs to the tumor.
A systems genomics approach to uncover the molecular properties of cancer genes
Authors: Grassmann Felix , Pawitan Yudi , Czene Kamila
Published: October 2020

Genes involved in cancer are under constant evolutionary pressure, potentially resulting in diverse molecular properties. In this study, we explore 23 omic features from publicly available databases to define the molecular profile of different classes of cancer genes. Cancer genes were grouped according to mutational landscape (germline and somatically mutated genes), role in cancer initiation (cancer driver genes) or cancer survival (survival genes), as well as being implicated by genome-wide association studies (GWAS genes). For each gene, we also computed feature scores based on all omic features, effectively summarizing how closely a gene resembles cancer genes of the respective class. In general, cancer genes are longer, have a lower GC content, have more isoforms with shorter exons, are expressed in more tissues and have more transcription factor binding sites than non-cancer genes. We found that germline genes more closely resemble single tissue GWAS genes while somatic genes are more similar to pleiotropic cancer GWAS genes. As a proof-of-principle, we utilized aggregated feature scores to prioritize genes in breast cancer GWAS loci and found that top ranking genes were enriched in cancer related pathways. In conclusion, we have identified multiple omic features associated with different classes of cancer genes, which can assist prioritization of genes in cancer gene discovery.
Sublethal exposure of small few-layer graphene promotes metabolic alterations in human skin cells
Authors: Frontiñan-Rubio Javier , Gomez M. Victoria , González Viviana Jehová , Durán-Prado Mario , Vázquez Ester
Published: October 2020

Small few-layer graphene (sFLG), a novel small-sized graphene-related material (GRM), can be considered as an intermediate degradation product of graphene. GRMs have a promising present and future in the field of biomedicine. However, safety issues must be carefully addressed to facilitate their implementation. In the work described here, the effect of sub-lethal doses of sFLG on the biology of human HaCaT keratinocytes was examined. A one-week treatment of HaCaTs with sub-lethal doses of sFLG resulted in metabolome remodeling, dampening of the mitochondrial function and a shift in the redox state to pro-oxidant conditions. sFLG raises reactive oxygen species and calcium from 24 h to one week after the treatment and this involves the activation of NADPH oxidase 1. Likewise, sFLG seems to induce a shift from oxidative phosphorylation to glycolysis and promotes the use of glutamine as an alternative source of energy. When sub-toxic sFLG exposure was sustained for 30 days, an increase in cell proliferation and mitochondrial damage were observed. Further research is required to unveil the safety of GRMs and degradation-derived products before their use in the workplace and in practical applications.
Expresser phenotype determines ABO(H) blood group antigen loading on platelets and von Willebrand factor
Authors: O’Donghaile Diarmaid , Jenkins P. Vincent , McGrath Rachel T. , Preston Lisa , Field Stephen P. , Ward Soracha E. , O’Sullivan Jamie M. , O’Donnell James S.
Published: October 2020

ABO blood group is associated with cardiovascular disease, with significantly lower risk in blood group O individuals. ABO(H) blood group determinants are expressed on different glycoproteins on platelet surfaces. In addition, ABO(H) structures are also present on VWF glycans. These ABO(H) carbohydrates influence both platelet and VWF function. Previous studies have reported that approximately 5–10% of normal blood donors express abnormally high or low levels of A or B blood group antigens on their platelet surfaces (high expresser phenotype, HXP or low expresser phenotype, LXP respectively). In this study, the biological effects of the ABO Expresser phenotype were investigated. ABO(H) expression on platelets and plasma VWF was studied in a series of 541 healthy blood donors. Overall, 5.6% of our study cohort were classified as HXP, whilst 4.4% satisfied criteria for LXP. We demonstrate that genotype at the ABO blood group locus plays a critical role in modulating the platelet HXP phenotype. In particular, A1A1 genotype is a major determinant of ABO high-expresser trait. Our data further show that ABH loading on VWF is also affected by ABO expresser phenotype. Consequently, A antigen expression on VWF was significantly elevated in HXP individuals and moderately reduced in LXP subjects (P < 0.05). Collectively, these findings suggest that ABO expresser phenotype influences primary hemostasis though several different pathways. Further studies will be required to define whether inter-individual variations in ABO(H) expression on platelets and/or VWF (particularly HXP and LXP) impact upon risk for cardiovascular disease.
Personalized prediction of delayed graft function for recipients of deceased donor kidney transplants with machine learning
Authors: Kawakita Satoru , Beaumont Jennifer L. , Jucaud Vadim , Everly Matthew J.
Published: October 2020

Machine learning (ML) has shown its potential to improve patient care over the last decade. In organ transplantation, delayed graft function (DGF) remains a major concern in deceased donor kidney transplantation (DDKT). To this end, we harnessed ML to build personalized prognostic models to predict DGF. Registry data were obtained on adult DDKT recipients for model development (n = 55,044) and validation (n = 6176). Incidence rates of DGF were 25.1% and 26.3% for the development and validation sets, respectively. Twenty-six predictors were identified via recursive feature elimination with random forest. Five widely-used ML algorithms—logistic regression (LR), elastic net, random forest, artificial neural network (ANN), and extreme gradient boosting (XGB) were trained and compared with a baseline LR model fitted with previously identified risk factors. The new ML models, particularly ANN with the area under the receiver operating characteristic curve (ROC-AUC) of 0.732 and XGB with ROC-AUC of 0.735, exhibited superior performance to the baseline model (ROC-AUC = 0.705). This study demonstrates the use of ML as a viable strategy to enable personalized risk quantification for medical applications. If successfully implemented, our models may aid in both risk quantification for DGF prevention clinical trials and personalized clinical decision making.
Hybrid 3D printed-paper microfluidics
Authors: Zargaryan Arthur , Farhoudi Nathalie , Haworth George , Ashby Julian F. , Au Sam H.
Published: October 2020

3D printed and paper-based microfluidics are promising formats for applications that require portable miniaturized fluid handling such as point-of-care testing. These two formats deployed in isolation, however, have inherent limitations that hamper their capabilities and versatility. Here, we present the convergence of 3D printed and paper formats into hybrid devices that overcome many of these limitations, while capitalizing on their respective strengths. Hybrid channels were fabricated with no specialized equipment except a commercial 3D printer. Finger-operated reservoirs and valves capable of fully-reversible dispensation and actuation were designed for intuitive operation without equipment or training. Components were then integrated into a versatile multicomponent device capable of dynamic fluid pathing. These results are an early demonstration of how 3D printed and paper microfluidics can be hybridized into versatile lab-on-chip devices.
The pseudogene problem and RT-qPCR data normalization; SYMPK: a suitable reference gene for papillary thyroid carcinoma
Authors: Javadirad Seyed-Morteza , Mokhtari Mohammad , Esfandiarpour Ghazal , Kolahdouzan Mohsen
Published: October 2020

In RT-qPCR, accuracy requires multiple levels of standardization, but results could be obfuscated by human errors and technical limitations. Data normalization against suitable reference genes is critical, yet their observed expression can be confounded by pseudogenes. Eight reference genes were selected based on literature review and analysis of papillary thyroid carcinoma (PTC) microarray data. RNA extraction and cDNA synthesis were followed by RT-qPCR amplification in triplicate with exon-junction or intron-spanning primers. Several statistical analyses were applied using Microsoft Excel, NormFinder, and BestKeeper. In normal tissues, the least correlation of variation (CqCV%) and the lowest maximum fold change (MFC) were respectively recorded for PYCR1 and SYMPK. In PTC tissues, SYMPK had the lowest CqCV% (5.16%) and MFC (1.17). According to NormFinder, the best reference combination was SYMPK and ACTB (stability value = 0.209). BestKeeper suggested SYMPK as the best reference in both normal (r = 0.969) and PTC tissues (r = 0.958). SYMPK is suggested as the best reference gene for overcoming the pseudogene problem in RT-qPCR data normalization, with a stability value of 0.319.
Perfect appearance match between self-luminous and surface colors can be performed with isomeric spectra
Authors: Kagimoto Akari , Okajima Katsunori
Published: October 2020

Surface color results from a reflected light bounced off a material, such as a paper. By contrast, self-luminous color results directly from an emitting light, such as a Liquid Crystal (LC) display. These are completely different mechanisms, and thus, surface color and self-luminous color cannot be matched even though both have identical tristimulus values. In fact, previous research has reported that metameric color matching fails among diverse media. However, the reason for this failure remains unclear. In the present study, we created isomeric color-matching pairs between self-luminous and surface colors by modulating the spectral distribution of the light for surface colors. Then, we experimentally verified whether such color matching can be performed. The results show that isomeric color matching between self-luminous and surface colors can be performed for all participants. However, metameric color matching fails for most participants, indicating that differences in the spectral distributions rather than the different color-generating mechanisms themselves are the reason for the color matching failure between different devices. We experimentally demonstrated that there is no essential problem in cross-media color matching by generating isomeric pairs. Our results can be considered to be of great significance not only for color science, but also for the color industry.
Isotopic and microbotanical insights into Iron Age agricultural reliance in the Central African rainforest
Authors: Bleasdale Madeleine , Wotzka Hans-Peter , Eichhorn Barbara , Mercader Julio , Styring Amy , Zech Jana , Soto María , Inwood Jamie , Clarke Siobhán , Marzo Sara , Fiedler Bianca , Linseele Veerle , Boivin Nicole , Roberts Patrick
Published: October 2020

The emergence of agriculture in Central Africa has previously been associated with the migration of Bantu-speaking populations during an anthropogenic or climate-driven ‘opening’ of the rainforest. However, such models are based on assumptions of environmental requirements of key crops (e.g. Pennisetum glaucum) and direct insights into human dietary reliance remain absent. Here, we utilise stable isotope analysis (δ13C, δ15N, δ18O) of human and animal remains and charred food remains, as well as plant microparticles from dental calculus, to assess the importance of incoming crops in the Congo Basin. Our data, spanning the early Iron Age to recent history, reveals variation in the adoption of cereals, with a persistent focus on forest and freshwater resources in some areas. These data provide new dietary evidence and document the longevity of mosaic subsistence strategies in the region.
Synthetic strategies tailoring colours in multichromophoric organic nanostructures
Authors: Kulyk Olesia , Rocard Lou , Maggini Laura , Bonifazi Davide
Published: October 2020

Mimicking nature to develop light-harvesting materials is a timely challenge. This tutorial review examines the chemical strategies to engineer and customise innovative multi-coloured architectures with specific light-absorbing and emitting properties.
Portable, low cost and sensitive cavity enhanced absorption (CEA) detection
Authors: Teggert Andrew , Datta Harish , McIntosh Stephen , Warden Barry , Bateson Simon , Abugchem Fathi , Ali Zulfiqur
Published: October 2020

Low cost and highly sensitive cavity enhanced absorption detection.
A reliable and accurate UHPLC-MS/MS method for screening of Aspergillus, Penicillium and Alternaria mycotoxins in orange, grape and apple juices
Authors: Guo Wenbo , Yang Junhua , Niu Xueke , Tangni Emmanuel K. , Zhao Zhihui , Han Zheng
Published: October 2020

An ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) method was developed for simultaneous determination of 15 mycotoxins.
Introducing ammonium salt into hole transporting materials for perovskite solar cells
Authors: Ma Shuang , Liu Xuepeng , Zhang Xianfu , Ghadari Rahim , Ding Yong , Cai Molang , Dai Songyuan
Published: October 2020

A new hole transporting material with ammonium salt has been prepared, which shows better performance than the non-ammonium salt counterpart in perovskite solar cells.
Concentration profile of dissolved gas during hydrogen gas evolution: an optical approach
Authors: Ando Kota , Uchimoto Yoshiharu , Nakajima Takashi
Published: October 2020

Optical image tracking of individual bubbles enables us to extract the concentration profile of dissolved hydrogen as a function of distance from the electrode.
Loss of thioredoxin reductase function in a mouse stroke model disclosed by a two-photon fluorescent probe
Authors: Zhao Jintao , Qu Yuan , Gao Hao , Zhong Miao , Li Xinming , Zhang Fang , Chen Yaxiong , Gan Lu , Hu Guodong , Zhang Hong , Zhang Shengxiang , Fang Jianguo
Published: October 2020

The first two-photon fluorescent probe (TP-TRFS) is reported, and it was successfully used in vivo.
Helical nanofibers of N-(perfluorooctanoyl)cysteine ethyl ester in coordination polymers of Ag+
Authors: Tao Dan-Dan , Wei Jin-Hong , Yan Xiao-Sheng , Wang Qian , Kou Bo-Han , Chen Na , Jiang Yun-Bao
Published: October 2020

Perfluorooctanoic acid when made into N-(perfluorooctanoyl)cysteine ethyl esters form instantly in EtOH helical nanofibers upon mixing with Ag+, with a high thermostability and a negative nonlinear CD-ee dependence in the formed coordination polymers.
Axial Cl/Br atom-mediated CO2 electroreduction performance in a stable porphyrin-based metal–organic framework
Authors: Huang Qing , Niu Qian , Ma Na-Na , Dong Long-Zhang , Li Shun-Li , Li Dong-Sheng , Cai Yue-Peng , Lan Ya-Qian
Published: October 2020

Two isostructural MOFs were utilized to reveal the influence of different halogen anions on ECR performance. The different performance mainly originates from the different abilities of adsorption and activation of CO2 by halogen anions.
Tuneable reduction of cymantrenylboranes to diborenes or borylene-derived boratafulvenes
Authors: Schmidt Uwe , Fantuzzi Felipe , Arrowsmith Merle , Hermann Alexander , Prieschl Dominic , Rempel Anna , Engels Bernd , Braunschweig Holger
Published: October 2020

By switching the reaction conditions, the reduction of a N-heterocyclic carbene-stabilised cymantrenyldibromoborane can be tuned to yield either the corresponding diborene or borylene, the latter being stabilised through a boratafulvene conformation.
Enhancing the selectivity of optical sensors using synthetic transmembrane ion transporters
Authors: Marshall Sarah R. , Singh Anmol , Wagner Jacqueline N. , Busschaert Nathalie
Published: October 2020

As proof-of-concept, we show that the non-selective anion sensor lucigenin can be converted to a selective iodide sensor by encapsulation into liposomes and the addition of transmembrane transporters.
2(C3H7N6)+·2Cl−·H2O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation
Authors: Liu Lehui , Hu Chun-Li , Bai Zhiyong , Yuan Feifei , Huang Yisheng , Zhang Lizhen , Lin Zhoubin
Published: October 2020

An ultraviolet nonlinear optical material benefited from benzene-like planar π-conjugated (C3N6) groups, achieved significant balance between large birefringence (Δn = 0.277 at 546 nm) and strong second-harmonic generation intensity ∼4.3 × KDP.
Asymmetric [N–I–N]+halonium complexes in solution?
Authors: von der Heiden Daniel , Rissanen Kari , Erdélyi Máté
Published: October 2020

Assessment of the solution equilibria of [bis(pyridine)iodine(i)]+complexes by ESI-MS and NMR reveals a statistical ligand distribution across the iodine(i) centres with a preference to form complexes with a more basic pyridine.
Far-red switching DNA probes for live cell nanoscopy
Authors: Bucevičius Jonas , Gilat Tanja , Lukinavičius Gražvydas
Published: October 2020

Blinking far-red hydroxymethyl silicon-rhodamine and Hoechst conjugates for chromatin nanoscopy in live cells.
Dielectric and gas adsorption/desorption properties of x-Li(Pc) having one-dimensional channels surrounded by Pc˙− columns
Authors: Nishi Miki , Hoshino Norihisa , Noro Shin-ichiro , Fujimoto Hitoshi , Akutagawa Tomoyuki , Matsuda Masaki
Published: October 2020

A one-dimensional channel system x-Li(Pc), composed of π-radical Pc˙−, was investigated. It was revealed that this channel surrounded by Li(Pc) columns is flexible, and gas adsorption/desorption measurements showed selective properties.
Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations
Authors: Andreev Grigory , Budantseva Nina , Levtsova Anastasiya , Sokolova Marina , Fedoseev Aleksander
Published: October 2020

Inclusion of heterocyclic cations into a uranyl-phthalate system allowed the formation of 2D coordination polymers whose topological analysis revealed that the underlying nets had unusual topologies.
Correlation between structural properties and nonradiative recombination behaviors of threading dislocations in freestanding GaN substrates grown by hydride vapor phase epitaxy
Authors: Yao Yongzhao , Sugawara Yoshihiro , Yokoe Daisaku , Sato Koji , Ishikawa Yukari , Okada Narihito , Tadatomo Kazuyuki , Sudo Masaki , Kato Masashi , Miyoshi Makoto , Egawa Takashi
Published: October 2020

Nonradiative recombination behaviors of threading dislocations and their correlation with the dislocation types.
Pressure-induced ionic to mixed ionic and electronic conduction transition in solid electrolyte LaF3
Authors: Wang Jia , Yan Yalan , Liu Hao , Zhang Guozhao , Yue Donghui , Tong Shuang , Gao Chunxiao , Han Yonghao
Published: October 2020

LaF3 was found to transform from pure ionic conduction to mixed ionic and electronic conduction at 15.0 GPa.
Spin-momentum entanglement in a Bose–Einstein condensate
Authors: Kale Sumit Suresh , Ding Yijue , Chen Yong P. , Friedrich Bretislav , Kais Sabre
Published: October 2020

Mechanisms including two types of Raman laser coupling (Ω1 & Ω2) and rf field coupling (Ωrf) are applied to drive transitions between different hyperfine spin states. We investigated the entanglement between the spin and momentum degrees of freedom.
VUV excited-state dynamics of cyclic ethers as a function of ring size
Authors: Röder Anja , Skov Anders B. , Boguslavskiy Andrey E. , Lausten Rune , Stolow Albert
Published: October 2020

The ultrafast vacuum ultraviolet (VUV) Rydberg state dynamics of cyclic ethers reflects ring strain.
First-principles view of the interaction between Li and Bi4Ge3O12 anodes
Authors: Liu HongXian , Rodriguez Jassiel R. , Pol Vilas G. , Zhang Yanning
Published: October 2020

We have investigated the lithiation/delithiation mechanism of Bi4Ge3O12 anode materials using a DFT method.
A three-point coarse-grained model of five-water cluster with permanent dipoles and quadrupoles
Authors: Li Min , Lu WenCai , Zhang John ZengHui
Published: October 2020

A five-water all-atom (AA) cluster is coarse-grained (CG) into a three-point model with the CG-level multipole moment [P, Q] noted.
Vibrationally resolved valence and core photoionization and photoexcitation spectra of an electron-deficient trivalent boron compound: the case of catecholborane
Authors: Ljubić Ivan , Cvitaš Marko T. , Grazioli Cesare , Coreno Marcello , Kazazić Saša , Novak Igor
Published: October 2020

Vibrationally resolved valence (VUV-PES) and B 1s, C 1s, and O 1s core ionization (XPS), and core excitation (NEXAFS) spectra of catecholborane are assigned with the aid of quantum chemical methods.
A review of composite solid-state electrolytes for lithium batteries: fundamentals, key materials and advanced structures
Authors: Zheng Yun , Yao Yuze , Ou Jiahua , Li Matthew , Luo Dan , Dou Haozhen , Li Zhaoqiang , Amine Khalil , Yu Aiping , Chen Zhongwei
Published: October 2020

All-solid-state lithium ion batteries (ASSLBs) are considered next-generation devices for energy storage due to their advantages in safety and potentially high energy density.
Correction: Nickel clusters on TiO2(110): thermal chemistry and photocatalytic hydrogen evolution of methanol
Authors: Eder Moritz , Courtois Carla , Kratky Tim , Günther Sebastian , Tschurl Martin , Heiz Ueli
Published: October 2020

Correction for ‘Nickel clusters on TiO2(110): thermal chemistry and photocatalytic hydrogen evolution of methanol’ by Moritz Eder et al., Catal. Sci. Technol., 2020, DOI: 10.1039/d0cy01465f.
Interconversion between a planar 1,3-dichlorobicyclo[1.1.0]tetrasilane and a (chloro)(chlorosilyl)cyclotrisilene
Authors: Nukazawa Takumi , Iwamoto Takeaki
Published: October 2020

A 1,3-dichlorotetrasilabicyclo[1.1.0]butane with a π-type bridgehead Si–Si bond undergoes a skeletal isomerisation to a 1-chloro-2-(chlorosilyl)cyclotrisilene.
Size and morphology effects on the high pressure behaviors of Mn3O4 nanorods
Authors: Li Juanying , Liu Bo , Dong Junyan , Li Chenyi , Dong Qing , Lin Tao , Liu Ran , Wang Peng , Shen Pengfei , Li Quanjun , Liu Bingbing
Published: October 2020

Compared with Mn3O4 bulk and nanoparticles, Mn3O4 nanorods show unusual stability and structural transition sequences under high pressure.
Synthetic copolymer conjugates of docetaxel andin vitroassessment of anticancer efficacy
Authors: Evans Cameron W. , Edwards Sky , Kretzmann Jessica A. , Nealon Gareth L. , Singh Ruhani , Clemons Tristan D. , Norret Marck , Boyer Cyrille A. , Iyer K. Swaminathan
Published: October 2020

Docetaxel (DTX) is a widely used chemotherapy drug that is associated with numerous side effects and limited bioavailability. We show synthetic copolymer conjugates of docetaxel with drug loading up to 20% and assess their efficacy in MCF-7 cells.
Amplification of active sites and porosity for the adsorption of QDs via the induction of the rare-earth element la into TiO2 for enhanced photovoltaic effects in QDSSCs
Authors: Shwetharani R. , Sushmitha T. , Preethi G. U. , Balakrishna R. Geetha
Published: October 2020

Schematic representing preparation of TiO2 and La–TiO2, QDSSCs device development and mechanism of charge carrier’s migration in device along with IV curve for La–TiO2.
Enhanced catalytic phenol hydroxylation by CuZnFeAl layered double hydroxides: synergistic effects of Cu+ and oxygen vacancies
Authors: Jiang Yong , Xu Wenlong , Liang Jinhua , Shen Jiecan , Fu Xiaomin , He Haimin , Yan Shichang , Ren Xiaoqian
Published: October 2020

In this work, a series of CuZnFeAl-LDH catalysts for phenol oxidation to dihydroxybenzene have been prepared through a co-precipitation method.
Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions
Authors: Grudova Mariya V. , Gil Diego M. , Khrustalev Victor N. , Nikitina Eugeniya V. , Sinelshchikova Anna A. , Grigoriev Mikhail S. , Kletskov Alexey V. , Frontera Antonio , Zubkov Fedor I.
Published: October 2020

This manuscript reports the synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives focusing on the importance of F···O interactions.
Multilayer graphite nano-sheet composite hydrogel for solar desalination systems with floatability and recyclability
Authors: Liu Yangkaixi , Tian Jing , Xu Longquan , Wang Yi , Fei Xu , Li Yao
Published: October 2020

The application of carbon-based nanomaterials with high photothermal conversion efficiencies in solar desalination has the advantages of economy, environmental protection, availability and sustainability.
Self-assembly of amphiphilic polyoxometalates for the preparation of mesoporous polyoxometalate-titania catalysts
Authors: Di Andi , Schmitt Julien , da Silva Marcelo Alves , Hossain Kazi M. Zakir , Mahmoudi Najet , Errington R. John , Edler Karen J.
Published: October 2020

Amphiphilic derivatives of Dawson-structured polyoxometalates (POM) form micelles in solution, which are used to prepare hybrid TiO2-POM photocatalysts.
NCS-promoted thiocyanation and selenocyanation of pyrrolo[1,2-a]quinoxalines
Authors: Yang Zhen , He Jing , Wei Yueting , Li Weiwei , Liu Ping , Zhao Jixing , Wei Yu
Published: October 2020

An efficient NCS-promoted thiocyanation of pyrrolo[1,2-a]quinoxalines with NH4SCN or KSCN was developed. Moreover, in the presence of KSeCN, the selenocyanation of pyrrolo[1,2-a]quinoxalines was also achieved.
Probing the ligand exchange kinetics of phenynyl-based ligands on colloidal Au nanoparticles
Authors: Xiang Ting , Zong Jianpeng , Xu Wenjia , Feng Yuhua , Chen Hongyu
Published: October 2020

We show that phenynyl ligand could readily bind to colloidal Au nanoparticles. By real-time monitoring the SERS during ligand exchange, the relative strength of phenynyls, thiols and PVP ligands, and different phenynyls were successfully ranked.
Recent progress in conductive polymers for advanced fiber-shaped electrochemical energy storage devices
Authors: Li Xiaoqin , Chen Xiaojuan , Jin Zhaoyu , Li Panpan , Xiao Dan
Published: October 2020

Conductive polymers endow fiber-shaped electrodes and devices with excellent mechanical and electrochemical performance for energy storage in future wearable electronics.
Synthesis of FeO@SiO2–DNA core–shell engineered nanostructures for rapid adsorption of heavy metals in aqueous solutions
Authors: Patiño-Ruiz David , Rehmann Lars , Mehrvar Mehrab , Quiñones-Bolaños Edgar , Herrera Adriana
Published: October 2020

Facile synthesis of well-dispersed and magnetic FeO@SiO2–DNA nanostructures with electrostatic active sites for interaction and rapid adsorption of heavy metals.
‘Hairy’ root extracts as source for ‘green’ synthesis of silver nanoparticles and medical applications
Authors: Kobylinska Natalia , Shakhovsky Anatolij , Khainakova Olena , Klymchuk Dmytro , Avdeeva Liliya , Ratushnyak Yakiv , Duplij Volodymyr , Matvieieva Nadiia
Published: October 2020

The research was focused on the synthesis of silver nanoparticles (AgNPs) using extracts from the “hairy” root cultures ofArtemisia tilesiiLedeb. andArtemisia annuaL.
Colloidal stability and catalytic activity of cerium oxide nanoparticles in cell culture media
Authors: Ju Xiaohui , Fučíková Anna , Šmíd Břetislav , Nováková Jaroslava , Matolínová Iva , Matolín Vladimír , Janata Martin , Bělinová Tereza , Hubálek Kalbáčová Marie
Published: October 2020

Cerium oxide nanoparticles coated with poly(acrylic acid) exhibited high colloidal stability and preserved catalytic activity in cell culture media.
Highly conducting Wurster-type twisted covalent organic frameworks
Authors: Rotter Julian M. , Guntermann Roman , Auth Michael , Mähringer Andre , Sperlich Andreas , Dyakonov Vladimir , Medina Dana D. , Bein Thomas
Published: October 2020

Covalent organic frameworks define a versatile structural paradigm combining various attractive properties. The impact of different dopants on the conductivity of imine-linked 2D COFs featuring a redox-active Wurster-type motif was studied.
Programmed catalysis within stimuli-responsive mechanically unlocked nanocavities in DNA origami tiles
Authors: Wang Jianbang , Zhou Zhixin , Li Zhenzhen , Willner Itamar
Published: October 2020

Programmed unlocking of nanocavities in origami dimer structures using different auxiliary triggers.
Effect of surface ligands on gold nanocatalysts for CO2 reduction
Authors: Shang Hongyu , Wallentine Spencer K. , Hofmann Daniel M. , Zhu Quansong , Murphy Catherine J. , Baker L. Robert
Published: October 2020

Dodecanethiol on Au nanoparticles significantly enhances selectivity and stability with minimal loss in activity by acting as a CO2-permeable membrane, which blocks the deposition of metal ions that are otherwise responsible for rapid deactivation.
Amyloids and their untapped potential as hydrogelators
Authors: Belwal Vinay Kumar , Chaudhary Nitin
Published: October 2020

Amyloid fibrils are cross-β-sheet-rich fibrous aggregates. The fibrils can entangle to form a 3-dimensional network that can eventually turn into hydrogel, with or without specific triggers.
Integrated multifunctional macrostructures for electromagnetic wave absorption and shielding
Authors: Wang Gehuan , Ong Samuel Jun Hoong , Zhao Yue , Xu Zhichuan J. , Ji Guangbin
Published: October 2020

This review comprehensively introduced the electromagnetic wave absorbing and shielding (EMAS) materials with macrostructures and the multifunctionality of some advanced EMAS materials.
MOF-derived vertically stacked Mn2O3@C flakes for fiber-shaped zinc-ion batteries
Authors: Liu Chenglong , Li Qiulong , Sun Hongzhao , Wang Zhen , Gong Wenbin , Cong Shan , Yao Yagang , Zhao Zhigang
Published: October 2020

Novel MOF-derived 3D vertically stacked Mn2O3@C/CNTFs for fiber-shaped zinc-ion batteries with excellent electrochemical performance and weavability.
In vitro study of SDF-1α-loaded injectable and thermally responsive hydrogels for adipose stem cell therapy by SDF-1/CXCR4 axis
Authors: Fadera Siaka , Cheng Nai-Chen , Young Tai-Horng , Lee I-Chi
Published: October 2020

Thermoresponsive and injectable CS/βGP/HA hydrogels may provide an alternative for treating ischemic diseases via SDF-1/CXCR4 axis for ASC recruitment and retention.