bluuebunny/crossref_metadata_2025 huggingface dataset:
Biomass Burning Is a Non‐Negligible Source for Ammonium During Winter Haze Episodes in Rural North China: Evidence From High Time Resolution 15N‐Stable Isotope
Authors: Feng Xinxin , Chen Yingjun , Du Huiyun , Feng Yanli , Mu Yujing , Chen Jianmin
Published: January 2023

The refined source apportionment of ammonium (NH4+), especially for biomass burning emissions, is unclear. Hourly resolution δ15N‐NH4+ values for three winter haze episodes (EP1–EP3) were determined in the North China Plain (NCP) in 2019 to identify and quantify the contribution of biomass burning. A reasonable source‐resolved structure of NH4+ was obtained after using the corrected source signatures of 15N and considering biomass burning emissions. The time‐series variation in biomass burning and vehicle sources identified by δ15N was more reasonable and matched better with their tracers (e.g., levoglucosan). The non‐negligible contribution of biomass burning in the NCP was found and contributed 13.0% ± 11.4% to NH4+ in haze episodes, but in special stages was as high as 29% ± 11% in local emission of EP1 and 23% ± 15% in southwest transportation of EP2. The redistribution of NH4+ sources further emphasize the contribution of biomass burning to haze episodes, as its contribution to PM2.5 increased up to 5% (without considering SO42− and NO3−). Considering NH4+ uniqueness in the formation of new particles, the role of biomass burning during haze episodes should be considered. This study indicates that further studies need to be conducted to reduce biomass burning emissions in the NCP.
Placental syndromes and long-term risk of hypertension
Authors: Fraser Abigail , Catov Janet M.
Published: January 2023

Higher blood pressure prior to pregnancy is associated with increased risk of placental abruption, hypertension and preeclampsia, preterm delivery and fetal growth restriction. These conditions are jointly termed placental syndromes as they are characterised by impaired placentation and early placental vascularization. Placental syndromes are associated with an increased maternal risk of progression to hypertension and cardiovascular disease (CVD) in later life. Women affected by both a clinical placental syndrome and with evidence of placental maternal vascular malperfusion (MVM) have a particularly high risk of hypertension and CVD. Yet whether placental impairment and clinical syndromes are causes or consequences of higher blood pressure in women remains unclear. In this review, we address the relationship between blood pressure and maternal health in pregnancy. We conclude that there is a pressing need for studies with a range of detailed measures of cardiac and vascular structure and function taken before, during and after pregnancy to solve the ‘chicken and egg’ puzzle of women’s blood pressure and pregnancy health, and to inform effective precision medicine prevention and treatment of both placental syndromes and chronic hypertension in women.
Label-free imaging of red blood cells and oxygenation with color third-order sum-frequency generation microscopy
Authors: Ferrer Ortas Júlia , Mahou Pierre , Escot Sophie , Stringari Chiara , David Nicolas B. , Bally-Cuif Laure , Dray Nicolas , Négrerie Michel , Supatto Willy , Beaurepaire Emmanuel
Published: January 2023

Mapping red blood cells (RBCs) flow and oxygenation is of key importance for analyzing brain and tissue physiology. Current microscopy methods are limited either in sensitivity or in spatio-temporal resolution. In this work, we introduce a novel approach based on label-free third-order sum-frequency generation (TSFG) and third-harmonic generation (THG) contrasts. First, we propose a novel experimental scheme for color TSFG microscopy, which provides simultaneous measurements at several wavelengths encompassing the Soret absorption band of hemoglobin. We show that there is a strong three-photon (3P) resonance related to the Soret band of hemoglobin in THG and TSFG signals from zebrafish and human RBCs, and that this resonance is sensitive to RBC oxygenation state. We demonstrate that our color TSFG implementation enables specific detection of flowing RBCs in zebrafish embryos and is sensitive to RBC oxygenation dynamics with single-cell resolution and microsecond pixel times. Moreover, it can be implemented on a 3P microscope and provides label-free RBC-specific contrast at depths exceeding 600 µm in live adult zebrafish brain. Our results establish a new multiphoton contrast extending the palette of deep-tissue microscopy.
Perceptions of a self-guided web-based exercise programme for shoulder pain after spinal cord injury: A qualitative study
Authors: Stavric Verna , Saywell Nicola L. , Kayes Nicola M.
Published: January 2023

Study design

Qualitative study.

Objectives

The benefits of exercise to reduce shoulder pain in people with spinal cord injury (SCI) are well documented. Digital health interventions offer a potential solution to overcome barriers to access rehabilitation support for exercise. The aim of this project was to gain people’s perspectives to inform the development of a self-guided web-based exercise intervention. Shoulder Pain Intervention delivered over the interNet (SPIN) is a self-guided web-based intervention to prescribe, monitor, and progress evidence-based exercises for people living with SCI and shoulder pain.

Setting

Community in Auckland, New Zealand.

Methods

The Person-Based Approach was used as the framework. Using an Interpretive Descriptive methodology, data were collected in individual and focus group interviews, exploring participants’ perceptions of this intervention idea. Data were analysed using conventional content analysis.

Results

Sixteen participants took part and asked Is it right for me?. This had three main sub-themes. Should I use it?, whether I believe it will work for me right now; Can I use it?, whether I can operate the intervention competently and confidently and Will I use it?, whether it will be responsive to my unique needs, and keep me coming back.

Conclusions

Participants expressed their expectations and tipping points when considering using an intervention like this. These findings will inform and guide design and development of an acceptable technology-based intervention to increase the likelihood of engagement with a self-guided web-based exercise programme. The model developed from these themes could be used to inform future self-guided intervention development.
A truncated and catalytically inactive isoform of KDM5B histone demethylase accumulates in breast cancer cells and regulates H3K4 tri-methylation and gene expression
Authors: Di Nisio Elena , Licursi Valerio , Mannironi Cecilia , Buglioni Valentina , Paiardini Alessandro , Robusti Giulia , Noberini Roberta , Bonaldi Tiziana , Negri Rodolfo
Published: January 2023

KDM5B histone demethylase is overexpressed in many cancers and plays an ambivalent role in oncogenesis, depending on the specific context. This ambivalence could be explained by the expression of KDM5B protein isoforms with diverse functional roles, which could be present at different levels in various cancer cell lines. We show here that one of these isoforms, namely KDM5B-NTT, accumulates in breast cancer cell lines due to remarkable protein stability relative to the canonical PLU-1 isoform, which shows a much faster turnover. This isoform is the truncated and catalytically inactive product of an mRNA with a transcription start site downstream of the PLU-1 isoform, and the consequent usage of an alternative ATG for translation initiation. It also differs from the PLU-1 transcript in the inclusion of an additional exon (exon-6), previously attributed to other putative isoforms. Overexpression of this isoform in MCF7 cells leads to an increase in bulk H3K4 methylation and induces derepression of a gene cluster, including the tumor suppressor Cav1 and several genes involved in the interferon-alpha and -gamma response. We discuss the relevance of this finding considering the hypothesis that KDM5B may possess regulatory roles independent of its catalytic activity.
Mapping lesion-specific response and progression dynamics and inter-organ variability in metastatic colorectal cancer
Authors: Zhou Jiawei , Cipriani Amber , Liu Yutong , Fang Gang , Li Quefeng , Cao Yanguang
Published: January 2023

Achieving systemic tumor control across metastases is vital for long-term patient survival but remains intractable in many patients. High lesion-level response heterogeneity persists, conferring many dissociated responses across metastatic lesions. Most studies of metastatic disease focus on tumor molecular and cellular features, which are crucial to elucidating the mechanisms underlying lesion-level variability. However, our understanding of lesion-specific heterogeneity on the macroscopic level, such as lesion dynamics in growth, response, and progression during treatment, remains rudimentary. This study investigates lesion-specific response heterogeneity through analyzing 116,542 observations of 40,612 lesions in 4,308 metastatic colorectal cancer (mCRC) patients. Despite significant differences in their response and progression dynamics, metastatic lesions converge on four phenotypes that vary with anatomical site. Importantly, we find that organ-level progression sequence is closely associated with patient long-term survival, and that patients with the first lesion progression in the liver often have worse survival. In conclusion, our study provides insights into lesion-specific response and progression heterogeneity in mCRC and creates impetus for metastasis-specific therapeutics.
Evolution of giant pandoravirus revealed by CRISPR/Cas9
Authors: Bisio Hugo , Legendre Matthieu , Giry Claire , Philippe Nadege , Alempic Jean-Marie , Jeudy Sandra , Abergel Chantal
Published: January 2023

Giant viruses (GVs) are a hotspot of unresolved controversies since their discovery, including the definition of “Virus” and their origin. While increasing knowledge of genome diversity has accumulated, GV functional genomics was largely neglected. Here, we describe an experimental framework to genetically modify nuclear GVs and their host Acanthamoeba castellanii using CRISPR/Cas9, shedding light on the evolution from small icosahedral viruses to amphora-shaped GVs. Ablation of the icosahedral major capsid protein in the phylogenetically-related mollivirus highlights a transition in virion shape and size. We additionally demonstrate the existence of a reduced core essential genome in pandoravirus, reminiscent of their proposed smaller ancestors. This proposed genetic expansion led to increased genome robustness, indicating selective pressures for adaptation to uncertain environments. Overall, we introduce new tools for manipulation of the unexplored genome of nuclear GVs and provide experimental evidence suggesting that viral gigantism has aroused as an emerging trait.
Regions of hepatitis C virus E2 required for membrane association
Authors: Kumar Ashish , Rohe Tiana C. , Elrod Elizabeth J. , Khan Abdul G. , Dearborn Altaira D. , Kissinger Ryan , Grakoui Arash , Marcotrigiano Joseph
Published: January 2023

Hepatitis C virus (HCV) uses a hybrid entry mechanism. Current structural data suggest that upon exposure to low pH and Cluster of Differentiation 81 (CD81), the amino terminus of envelope glycoprotein E2 becomes ordered and releases an internal loop with two invariant aromatic residues into the host membrane. Here, we present the structure of an amino-terminally truncated E2 with the membrane binding loop in a bent conformation and the aromatic side chains sequestered. Comparison with three previously reported E2 structures with the same Fab indicates that this internal loop is flexible, and that local context influences the exposure of hydrophobic residues. Biochemical assays show that the amino-terminally truncated E2 lacks the baseline membrane-binding capacity of the E2 ectodomain. Thus, the amino terminal region is a critical determinant for both CD81 and membrane interaction. These results provide new insights into the HCV entry mechanism.
Cross center single-cell RNA sequencing study of the immune microenvironment in rapid progressing multiple myeloma
Authors: Pilcher William , Thomas Beena E. , Bhasin Swati S. , Jayasinghe Reyka G. , Yao Lijun , Gonzalez-Kozlova Edgar , Dasari Surendra , Kim-Schulze Seunghee , Rahman Adeeb , Patton Jonathan , Fiala Mark , Cheloni Giulia , Kourelis Taxiarchis , Dhodapkar Madhav V. , Vij Ravi , Mehr Shaadi , Hamilton Mark , Cho Hearn Jay , Auclair Daniel , Avigan David E. , Kumar Shaji K. , Gnjatic Sacha , Ding Li , Bhasin Manoj
Published: January 2023

Despite advancements in understanding the pathophysiology of Multiple Myeloma (MM), the cause of rapid progressing disease in a subset of patients is still unclear. MM’s progression is facilitated by complex interactions with the surrounding bone marrow (BM) cells, forming a microenvironment that supports tumor growth and drug resistance. Understanding the immune microenvironment is key to identifying factors that promote rapid progression of MM. To accomplish this, we performed a multi-center single-cell RNA sequencing (scRNA-seq) study on 102,207 cells from 48 CD138- BM samples collected at the time of disease diagnosis from 18 patients with either rapid progressing (progression-free survival (PFS) < 18 months) or non-progressing (PFS > 4 years) disease. Comparative analysis of data from three centers demonstrated similar transcriptome profiles and cell type distributions, indicating subtle technical variation in scRNA-seq, opening avenues for an expanded multicenter trial. Rapid progressors depicted significantly higher enrichment of GZMK+ and TIGIT+ exhausted CD8+ T-cells (P = 0.022) along with decreased expression of cytolytic markers (PRF1, GZMB, GNLY). We also observed a significantly higher enrichment of M2 tolerogenic macrophages in rapid progressors and activation of pro-proliferative signaling pathways, such as BAFF, CCL, and IL16. On the other hand, non-progressive patients depicted higher enrichment for immature B Cells (i.e., Pre/Pro B cells), with elevated expression for markers of B cell development (IGLL1, SOX4, DNTT). This multi-center study identifies the enrichment of various pro-tumorigenic cell populations and pathways in those with rapid progressing disease and further validates the robustness of scRNA-seq data generated at different study centers.
Neutron star mass estimates from gamma-ray eclipses in spider millisecond pulsar binaries
Authors: Clark C. J. , Kerr M. , Barr E. D. , Bhattacharyya B. , Breton R. P. , Bruel P. , Camilo F. , Chen W. , Cognard I. , Cromartie H. T. , Deneva J. , Dhillon V. S. , Guillemot L. , Kennedy M. R. , Kramer M. , Lyne A. G. , Sánchez D. Mata , Nieder L. , Phillips C. , Ransom S. M. , Ray P. S. , Roberts M. S. E. , Roy J. , Smith D. A. , Spiewak R. , Stappers B. W. , Tabassum S. , Theureau G. , Voisin G.
Published: January 2023

Reliable neutron star mass measurements are key to determining the equation of state of cold nuclear matter, but such measurements are rare. Black widows and redbacks are compact binaries consisting of millisecond pulsars and semi-degenerate companion stars. Spectroscopy of the optically bright companions can determine their radial velocities, providing inclination-dependent pulsar mass estimates. Although inclinations can be inferred from subtle features in optical light curves, such estimates may be systematically biased due to incomplete heating models and poorly understood variability. Using data from the Fermi Large Area Telescope, we have searched for gamma-ray eclipses from 49 spider systems, discovering significant eclipses in 7 systems, including the prototypical black widow PSR B1957+20. Gamma-ray eclipses require direct occultation of the pulsar by the companion, and so the detection, or significant exclusion, of a gamma-ray eclipse strictly limits the binary inclination angle, providing new robust, model-independent pulsar mass constraints. For PSR B1957+20, the eclipse implies a much lighter pulsar (1.81 ± 0.07 solar masses) than inferred from optical light curve modelling.
A symbolic Neanderthal accumulation of large herbivore crania
Authors: Baquedano Enrique , Arsuaga Juan L. , Pérez-González Alfredo , Laplana César , Márquez Belén , Huguet Rosa , Gómez-Soler Sandra , Villaescusa Lucía , Galindo-Pellicena M. Ángeles , Rodríguez Laura , García-González Rebeca , Ortega M.-Cruz , Martín-Perea David M. , Ortega Ana I. , Hernández-Vivanco Lucía , Ruiz-Liso Gonzalo , Gómez-Hernanz Juan , Alonso-Martín José I. , Abrunhosa Ana , Moclán Abel , Casado Ana I. , Vegara-Riquelme Marina , Álvarez-Fernández Ana , Domínguez-García Ángel C. , Álvarez-Lao Diego J. , García Nuria , Sevilla Paloma , Blain Hugues-Alexandre , Ruiz-Zapata Blanca , Gil-García M. José , Álvarez-Vena Adrián , Sanz Teresa , Quam Rolf , Higham Tom
Published: January 2023

This work examines the possible behaviour of Neanderthal groups at the Cueva Des-Cubierta (central Spain) via the analysis of the latter’s archaeological assemblage. Alongside evidence of Mousterian lithic industry, Level 3 of the cave infill was found to contain an assemblage of mammalian bone remains dominated by the crania of large ungulates, some associated with small hearths. The scarcity of post-cranial elements, teeth, mandibles and maxillae, along with evidence of anthropogenic modification of the crania (cut and percussion marks), indicates that the carcasses of the corresponding animals were initially processed outside the cave, and the crania were later brought inside. A second round of processing then took place, possibly related to the removal of the brain. The continued presence of crania throughout Level 3 indicates that this behaviour was recurrent during this level’s formation. This behaviour seems to have no subsistence-related purpose but to be more symbolic in its intent.
Three-dimensional structured illumination microscopy with enhanced axial resolution
Authors: Li Xuesong , Wu Yicong , Su Yijun , Rey-Suarez Ivan , Matthaeus Claudia , Updegrove Taylor B. , Wei Zhuang , Zhang Lixia , Sasaki Hideki , Li Yue , Guo Min , Giannini John P. , Vishwasrao Harshad D. , Chen Jiji , Lee Shih-Jong J. , Shao Lin , Liu Huafeng , Ramamurthi Kumaran S. , Taraska Justin W. , Upadhyaya Arpita , La Riviere Patrick , Shroff Hari
Published: January 2023

The axial resolution of three-dimensional structured illumination microscopy (3D SIM) is limited to ∼300 nm. Here we present two distinct, complementary methods to improve axial resolution in 3D SIM with minimal or no modification to the optical system. We show that placing a mirror directly opposite the sample enables four-beam interference with higher spatial frequency content than 3D SIM illumination, offering near-isotropic imaging with ∼120-nm lateral and 160-nm axial resolution. We also developed a deep learning method achieving ∼120-nm isotropic resolution. This method can be combined with denoising to facilitate volumetric imaging spanning dozens of timepoints. We demonstrate the potential of these advances by imaging a variety of cellular samples, delineating the nanoscale distribution of vimentin and microtubule filaments, observing the relative positions of caveolar coat proteins and lysosomal markers and visualizing cytoskeletal dynamics within T cells in the early stages of immune synapse formation.
Multi-ancestry transcriptome-wide association analyses yield insights into tobacco use biology and drug repurposing
Authors: Chen Fang , Wang Xingyan , Jang Seon-Kyeong , Quach Bryan C. , Weissenkampen J. Dylan , Khunsriraksakul Chachrit , Yang Lina , Sauteraud Renan , Albert Christine M. , Allred Nicholette D. D. , Arnett Donna K. , Ashley-Koch Allison E. , Barnes Kathleen C. , Barr R. Graham , Becker Diane M. , Bielak Lawrence F. , Bis Joshua C. , Blangero John , Boorgula Meher Preethi , Chasman Daniel I. , Chavan Sameer , Chen Yii-Der I. , Chuang Lee-Ming , Correa Adolfo , Curran Joanne E. , David Sean P. , Fuentes Lisa de las , Deka Ranjan , Duggirala Ravindranath , Faul Jessica D. , Garrett Melanie E. , Gharib Sina A. , Guo Xiuqing , Hall Michael E. , Hawley Nicola L. , He Jiang , Hobbs Brian D. , Hokanson John E. , Hsiung Chao A. , Hwang Shih-Jen , Hyde Thomas M. , Irvin Marguerite R. , Jaffe Andrew E. , Johnson Eric O. , Kaplan Robert , Kardia Sharon L. R. , Kaufman Joel D. , Kelly Tanika N. , Kleinman Joel E. , Kooperberg Charles , Lee I-Te , Levy Daniel , Lutz Sharon M. , Manichaikul Ani W. , Martin Lisa W. , Marx Olivia , McGarvey Stephen T. , Minster Ryan L. , Moll Matthew , Moussa Karine A. , Naseri Take , North Kari E. , Oelsner Elizabeth C. , Peralta Juan M. , Peyser Patricia A. , Psaty Bruce M. , Rafaels Nicholas , Raffield Laura M. , Reupena Muagututi’a Sefuiva , Rich Stephen S. , Rotter Jerome I. , Schwartz David A. , Shadyab Aladdin H. , Sheu Wayne H-H. , Sims Mario , Smith Jennifer A. , Sun Xiao , Taylor Kent D. , Telen Marilyn J. , Watson Harold , Weeks Daniel E. , Weir David R. , Yanek Lisa R. , Young Kendra A. , Young Kristin L. , Zhao Wei , Hancock Dana B. , Jiang Bibo , Vrieze Scott , Liu Dajiang J.
Published: January 2023

Most transcriptome-wide association studies (TWASs) so far focus on European ancestry and lack diversity. To overcome this limitation, we aggregated genome-wide association study (GWAS) summary statistics, whole-genome sequences and expression quantitative trait locus (eQTL) data from diverse ancestries. We developed a new approach, TESLA (multi-ancestry integrative study using an optimal linear combination of association statistics), to integrate an eQTL dataset with a multi-ancestry GWAS. By exploiting shared phenotypic effects between ancestries and accommodating potential effect heterogeneities, TESLA improves power over other TWAS methods. When applied to tobacco use phenotypes, TESLA identified 273 new genes, up to 55% more compared with alternative TWAS methods. These hits and subsequent fine mapping using TESLA point to target genes with biological relevance. In silico drug-repurposing analyses highlight several drugs with known efficacy, including dextromethorphan and galantamine, and new drugs such as muscle relaxants that may be repurposed for treating nicotine addiction.
Prediction model for myocardial injury after non-cardiac surgery using machine learning
Authors: Oh Ah Ran , Park Jungchan , Shin Seo Jeong , Choi Byungjin , Lee Jong-Hwan , Lee Seung-Hwa , Yang Kwangmo
Published: January 2023

Myocardial injury after non-cardiac surgery (MINS) is strongly associated with postoperative outcomes. We developed a prediction model for MINS and have provided it online. Between January 2010 and June 2019, a total of 6811 patients underwent non-cardiac surgery with normal preoperative level of cardiac troponin (cTn). We used machine learning techniques with an extreme gradient boosting algorithm to evaluate the effects of variables on MINS development. We generated two prediction models based on the top 12 and 6 variables. MINS was observed in 1499 (22.0%) patients. The top 12 variables in descending order according to the effects on MINS are preoperative cTn level, intraoperative inotropic drug infusion, operation duration, emergency operation, operation type, age, high-risk surgery, body mass index, chronic kidney disease, coronary artery disease, intraoperative red blood cell transfusion, and current alcoholic use. The prediction models are available at https://sjshin.shinyapps.io/mins_occur_prediction/. The estimated thresholds were 0.47 in 12-variable models and 0.53 in 6-variable models. The areas under the receiver operating characteristic curves are 0.78 (95% confidence interval [CI] 0.77–0.78) and 0.77 (95% CI 0.77–0.78), respectively, with an accuracy of 0.97 for both models. Using machine learning techniques, we demonstrated prediction models for MINS. These models require further verification in other populations.
Regulatory mechanisms of the dynein-2 motility by post-translational modification revealed by MD simulation
Authors: Kubo Shintaroh , Bui Khanh Huy
Published: January 2023

Intraflagellar transport for ciliary assembly and maintenance is driven by dynein and kinesins specific to the cilia. It has been shown that anterograde and retrograde transports run on different regions of the doublet microtubule, i.e., separate train tracks. However, little is known about the regulatory mechanism of this selective process. Since the doublet microtubule is known to display specific post-translational modifications of tubulins, i.e., “tubulin code”, for molecular motor regulations, we investigated the motility of ciliary specific dynein-2 under different post-translational modification by coarse-grained molecular dynamics. Our setup allows us to simulate the landing behaviors of dynein-2 on un-modified, detyrosinated, poly-glutamylated and poly-glycylated microtubules in silico. Our study revealed that poly-glutamylation can play an inhibitory effect on dynein-2 motility. Our result indicates that poly-glutamylation of the B-tubule of the doublet microtubule can be used as an efficient means to target retrograde intraflagellar transport onto the A-tubule.
A fully automatic method for segmentation of soccer playing fields
Authors: Cuevas Carlos , Berjón Daniel , García Narciso
Published: January 2023

This paper proposes a strategy to segment the playing field in soccer images, suitable for integration in many soccer image analysis applications. The combination of a green chromaticity-based analysis and an analysis of the chromatic distortion using full-color information, both at the pixel-level, allows segmenting the green areas of the images. Then, a fully automatic post-processing block at the region-level discards the green areas that do not belong to the playing field. The strategy has been evaluated with hundreds of annotated images from matches in several stadiums with different grass shades and light conditions. The results obtained have been of great quality in all the images, even in those with the most complex lighting conditions (e.g., high contrast between sunlit and shadowed areas). In addition, these results have improved those obtained with leading state-of-the-art playing field segmentation strategies.
Green roofs and pollinators, useful green spots for some wild bee species (Hymenoptera: Anthophila), but not so much for hoverflies (Diptera: Syrphidae)
Authors: Jacobs Jeffrey , Beenaerts Natalie , Artois Tom
Published: January 2023

Urbanisation has become one of the major anthropogenic drivers behind insect decline in abundance, biomass and species richness over the past decades. As a result, bees and other pollinators' natural habitats are reduced and degraded. Green roofs are frequently recommended as ways to counter the negative impacts of urbanisation on nature and enhance the amount of green space in cities. In this study we evaluated the pollinator (more specifically wild bees and hoverflies) diversity, abundance and species richness on twenty green roofs in Antwerp, Belgium. We analysed the influence of roof characteristics (age, surface area, height, percent cover of green space surrounding each site) on species richness or abundance of pollinators. In total we found 40 different wild bee species on the green roofs. None of the physical roof characteristics appear to explain differences in wild bees species richness and abundance. Neither could we attribute the difference in roof vegetation cover, i.e. roofs build-up with only Sedum species and roofs with a combined cover of Sedum, herbs and grasses, to differences in diversity, abundance, or species richness. We found a positive trend, although not significant, in community weighted mean body size for wild bees with an increase in green roof surface area. Roof wild bee communities were identified as social polylectic individuals, with a preference for ground nesting. Only eleven individuals from eight different hoverfly species were found. Our results show that green roofs can be a suitable habitat for wild bee species living in urban areas regardless of the roofs’ characteristics, but hoverflies have more difficulties conquering these urban green spaces.
Near-infrared to red-light emission and carrier dynamics in full series multilayer GaTe1−xSex (0≤x≤1) with structural evolution
Authors: Muhimmah Luthviyah Choirotul , Peng Yu-Hong , Yu Feng-Han , Ho Ching-Hwa
Published: January 2023

Two-dimensional layered gallium monochalcogenide (GaX, where X = S, Se, Te) semiconductors possess great potential for use in optoelectronic and photonic applications, owing to their direct band edge. In this work, the structural and optical properties of full-series multilayer GaTe1−xSex for x = 0 to x = 1 are examined. The experimental results show that the whole series of GaTe1−xSex layers may contain one hexagonal (H) phase from GaTe to GaSe, whereas the monoclinic (M) phase predominates at 0 ≤ x ≤ 0.4. For x ≥ 0.5, the H-phase dominates the GaTe1−xSex series. The micro-photoluminescence (μPL) results indicate that the photon emission energy of M-phase GaTe1−xSex increases as the Se content increases from 1.652 eV (M-GaTe) to 1.779 eV (M-GaTe0.6Se0.4), whereas that of H-phase GaTe1−xSex decreases from 1.998 eV (H-GaSe) to 1.588 eV (H-GaTe) in the red to near-infrared (NIR) region. Micro-time-resolved photoluminescence (TRPL) and area-fluorescence lifetime mapping (AFLM) of the few-layer GaTe1−xSex series indicates that the decay lifetime of the band-edge emission of the M phase is faster than that of the H phase in the mixed alloys of layered GaTe1−xSex (0 ≤ x ≤ 0.4). On the other hand, for H-phase GaTe1−xSex, the decay lifetime of the band-edge emission also increases as the Se content increases, owing to the surface effect. The dark resistivity of GaTe1−xSex for 0.5 ≤ x ≤ 1 (i.e., predominantly H phase) is greater than that of the other instance of majority M-phase GaTe1−xSex for 0 ≤ x ≤ 0.4, owing to the larger bandgaps. The predominantly H phase GaTe1−xSex (0.5 ≤ x ≤ 1) also shows a greater photoconductive response under visible-light illumination because of the greater contribution from surface states. The superior light-emission and photodetection capability of the GaTe1−xSex multilayers (0 ≤ x ≤ 1) means that they can be used for future optoelectronic devices.
Designing diversified renewable energy systems to balance multisector performance
Authors: Gonzalez Jose M. , Tomlinson James E. , Martínez Ceseña Eduardo A. , Basheer Mohammed , Obuobie Emmanuel , Padi Philip T. , Addo Salifu , Baisie Rasheed , Etichia Mikiyas , Hurford Anthony , Bottacin-Busolin Andrea , Matthews John , Dalton James , Smith D. Mark , Sheffield Justin , Panteli Mathaios , Harou Julien J.
Published: January 2023

Renewable energy system development and improved operation can mitigate climate change. In many regions, hydropower is called to counterbalance the temporal variability of intermittent renewables like solar and wind. However, using hydropower to integrate these renewables can affect aquatic ecosystems and increase cross-sectoral water conflicts. We develop and apply an artificial intelligence-assisted multisector design framework in Ghana, which shows how hydropower’s flexibility alone could enable expanding intermittent renewables by 38% but would increase sub-daily Volta River flow variability by up to 22 times compared to historical baseload hydropower operations. This would damage river ecosystems and reduce agricultural sector revenues by US$169 million per year. A diversified investment strategy identified using the proposed framework, including intermittent renewables, bioenergy, transmission lines and strategic hydropower re-operation could reduce sub-daily flow variability and enhance agricultural performance while meeting future national energy service goals and reducing CO2 emissions. The tool supports national climate planning instruments such as nationally determined contributions (NDCs) by steering towards diversified and efficient power systems and highlighting their sectoral and emission trade-offs and synergies.
Accuracy of haplotype estimation and whole genome imputation affects complex trait analyses in complex biobanks
Authors: Appadurai Vivek , Bybjerg-Grauholm Jonas , Krebs Morten Dybdahl , Rosengren Anders , Buil Alfonso , Ingason Andrés , Mors Ole , Børglum Anders D. , Hougaard David M. , Nordentoft Merete , Mortensen Preben B. , Delaneau Olivier , Werge Thomas , Schork Andrew J.
Published: January 2023

Sample recruitment for research consortia, biobanks, and personal genomics companies span years, necessitating genotyping in batches, using different technologies. As marker content on genotyping arrays varies, integrating such datasets is non-trivial and its impact on haplotype estimation (phasing) and whole genome imputation, necessary steps for complex trait analysis, remains under-evaluated. Using the iPSYCH dataset, comprising 130,438 individuals, genotyped in two stages, on different arrays, we evaluated phasing and imputation performance across multiple phasing methods and data integration protocols. While phasing accuracy varied by choice of method and data integration protocol, imputation accuracy varied mostly between data integration protocols. We demonstrate an attenuation in imputation accuracy within samples of non-European origin, highlighting challenges to studying complex traits in diverse populations. Finally, imputation errors can bias association tests, reduce predictive utility of polygenic scores. Carefully optimized data integration strategies enhance accuracy and replicability of complex trait analyses in complex biobanks.
The HDAC inhibitor zabadinostat is a systemic regulator of adaptive immunity
Authors: Liu Geng , Barczak Wojciech , Lee Lian Ni , Shrestha Amit , Provine Nicholas M. , Albayrak Gulsah , Zhu Hong , Hutchings Claire , Klenerman Paul , La Thangue Nicholas B.
Published: January 2023

Protein acetylation plays a key role in regulating cellular processes and is subject to aberrant control in diverse pathologies. Although histone deacetylase (HDAC) inhibitors are approved drugs for certain cancers, it is not known whether they can be deployed in other therapeutic contexts. We have explored the clinical HDAC inhibitor, zabadinostat/CXD101, and found that it is a stand-alone regulator of the adaptive immune response. Zabadinostat treatment increased expression of MHC class I and II genes in a variety of cells, including dendritic cells (DCs) and healthy tissue. Remarkably, zabadinostat enhanced the activity of DCs, and CD4 and CD8 T lymphocytes. Using an antigenic peptide presented to the immune system by MHC class I, zabadinostat caused an increase in antigen-specific CD8 T lymphocytes. Further, mice immunised with covid19 spike protein and treated with zabadinostat exhibit enhanced covid19 neutralising antibodies and an increased level of T lymphocytes. The enhanced humoral response reflected increased activity of T follicular helper (Tfh) cells and germinal centre (GC) B cells. Our results argue strongly that zabadinostat has potential to augment diverse therapeutic agents that act through the immune system.
Supramolecular chiral sensing by supramolecular helical polymers
Authors: Hirao Takehiro , Kishino Sei , Haino Takeharu
Published: January 2023

The helicity of the supramolecular porphyrin polymers was determined by the chirality of solvent molecules, which permitted the polymer chains to be used in chiral sensing.
Cobalt-catalysed [1,2]-Wittig rearrangement of ethers to secondary alcohols
Authors: Pattanaik Sandip , Kumar Anurag , Gunanathan Chidambaram
Published: January 2023

Cobalt catalyzed sustainable synthesis of secondary alcohols from ethers has been attained in which the reactions proceed via radical intermediates involving rearrangement.
Non-enzymatic detection of glucose levels in human blood plasma by a graphene oxide-modified organic transistor sensor
Authors: Fan Haonan , Sasaki Yui , Zhou Qi , Tang Wei , Nishina Yuta , Minami Tsuyoshi
Published: January 2023

An organic transistor-based sensor functionalized with graphene oxide and a phenylboronic acid derivative shows an accurate detectability for glucose in human blood plasma by the minimization of physical protein adsorption on the detection electrode.
Bi–C monolayer as a promising 2D anode material for Li, Na, and K-ion batteries
Authors: Ghani Awais , Ahmed Shehzad , Murtaza Adil , Muhammad Imran , Rehman Wasif ur , Zhou Chao , Zuo Wen Liang , Yang Sen
Published: January 2023

First principles calculations show that Bi–C monolayers are an excellent candidate for alkali metal ion batteries.
Exploring efficient hydrogen evolution electrocatalysts of nonmetal atom doped Mo2CO2 MXenes by first-principles screening
Authors: Liu Qing , Cheng Haixia , Wang Xiaoxu , Qian Ping
Published: January 2023

Catalytic properties and thermal stability of single nonmetal atom doped Mo2CO2 MXenes are explored using DFT calculations. An electronic descriptor is proposed to predict the HER activity of MXene-based catalysts.
A computational strategy for therapeutic development against superoxide dismutase (SOD1) amyloid formation: effect of polyphenols on the various events in the aggregation pathway
Authors: Sharma Shilpa , Tomar Vijay Raj , Jayaraj Abhilash , Deep Shashank
Published: January 2023

Selection criteria for predicting the aggregation inhibitors of SOD1 based on molecular dynamics simulations. The criteria depend on the binding energy of the ligand as well as on its effect on various events in the aggregation pathway.
High resolution spectroscopy of asymmetric top molecules in nonsinglet electronic states: the ν3 fundamental of chlorine dioxide (16O35Cl16O) free radical in the X2B1 electronic ground state
Authors: Ulenikov Oleg N. , Bekhtereva Elena S. , Gromova Olga V. , Kakaulin Aleksei N. , Merkulova Maria A. , Sydow Christian , Berezkin Kirill B. , Bauerecker Sigurd
Published: January 2023

Highly resolved spectra of the 16O35Cl16O isotopologue of chlorine dioxide were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer in the region of the ν3 band.
Enhanced photocatalytic degradation of tetracycline by a H2O2-assisted Bi3NbO7/Bi2Sn2O7 composite under visible light
Authors: Li Fan , Wang Yao , Wang Kangkang , Zhang Liang , Han Guoping , Ye Maosen , Shi Wenxuan , Zhang Shengnan , Jin Lihua , Feng Jianqing
Published: January 2023

The photocatalytic degradation of tetracycline has been improved using H2O2-assisted Z-scheme-type heterojunction Bi3NbO7/Bi2Sn2O7 system under visible light irradiation. A possible photocatalytic degradation mechanism has been proposed.
Assessment of chemistry knowledge in large language models that generate code
Authors: White Andrew D. , Hocky Glen M. , Gandhi Heta A. , Ansari Mehrad , Cox Sam , Wellawatte Geemi P. , Sasmal Subarna , Yang Ziyue , Liu Kangxin , Singh Yuvraj , Peña Ccoa Willmor J.
Published: January 2023

In this work, we investigate the question: do code-generating large language models know chemistry? Our results indicate, mostly yes.
Highly efficient photocatalytic H2O2production in microdroplets: accelerated charge separation and transfer at interfaces
Authors: Li Kejian , Ge Qiuyue , Liu Yangyang , Wang Longqian , Gong Kedong , Liu Juan , Xie Lifang , Wang Wei , Ruan Xuejun , Zhang Liwu
Published: January 2023

Photocatalytic H2O2production is significantly accelerated in microdroplets, benefiting from O2availability improvement, interfacial electric field, and reaction energy decrease.
The molecular mechanism of γ-aminobutyric acid against AD: the role of CEBPα/circAPLP2/miR-671-5p in regulating CNTN1/2 expression
Authors: Meng Na , Pan Pengyu , Hu Shuang , Miao Chen , Hu Yixin , Wang Fangfang , Zhang Jingzhu , An Li
Published: January 2023

GABA was shown to have an antagonistic effect on AD by regulating CNTN1/2. Furthermore, circAPLP2 was found to be down-regulated in the AD brain, and the CEBPα/circAPLP2/miR-671-5p pathway mediates the regulation of CNTN1/2 expression by GABA.
High-yield synthesis of HMF from glucose and fructose by selective catalysis with water-tolerant rare earth metal triflates assisted by choline chloride
Authors: Olivito Fabrizio , Algieri Vincenzo , Tallarida Matteo Antonio , Jiritano Antonio , Costanzo Paola , Maiuolo Loredana , Nino Antonio De
Published: January 2023

Hydroxymethylfurfural (HMF) derived from sugars through an environmentally friendly process catalysed by metal triflate/choline chloride system is presented in this study.
First azulene liquid crystal with de Vries behavior and a SmA re-entrant phase
Authors: Schulz Finn , Wank Bianca , Nacke Pierre , Frey Wolfgang , Laschat Sabine
Published: January 2023

Novel calamitic mesogens with an azulene core show de Vries-like properties and a SmA re-entrance phase.
The Mycobacterium tuberculosis mycothiol S-transferase is divalent metal-dependent for mycothiol binding and transfer
Authors: Jayasinghe Yahani P. , Banco Michael T. , Lindenberger Jared J. , Favrot Lorenza , Palčeková Zuzana , Jackson Mary , Manabe Shino , Ronning Donald R.
Published: January 2023

Mycothiol S-transferase (MST) (encoded by the rv0443 gene) was previously identified as the enzyme responsible for the transfer of mycothiol (MSH) to xenobiotic acceptors in Mycobacterium tuberculosis (M.tb) during xenobiotic stress.
Ferro-piezoelectricity in emerging Janus monolayer BMX2 (M = Ga, In and X = S, Se): ab initio investigations
Authors: Bezzerga Djamel , Haidar El-Abed , Stampfl Catherine , Mir Ali , Sahnoun Mohammed
Published: January 2023

Nanoscale materials with inter-correlation characteristics are fundamental for developing high performance devices and applications.
Chirality variation from self-assembly on Ullmann coupling for the DBCh adsorbate on Au(111) and Ag(111)
Authors: Wang Hongbing , Hu Jinping , Liang Zhaofeng , Zhang Huan , Huang Chaoqin , Xie Lei , Jiang Zheng , Huang Han , Song Fei
Published: January 2023

Chirality variation is clearly revealed in surface Ullmann coupling from self-assembly to graphene nanoribbons with staggered valleys.
Synthesis of cis-stilbene-based 1,2,4-triazole/1,3,4-oxadiazole conjugates as potential cytotoxic and tubulin polymerization inhibitors
Authors: John Stephy Elza , Sharma Anamika , Gulati Shivani , Bora Darshana , Shankaraiah Nagula
Published: January 2023

The currently designed molecules demonstrated potential anti-cancer activity by the induction of apoptosis and tubulin polymerization inhibition.
Two new imine-linked covalent organic frameworks via flexible units for high iodine uptake
Authors: Wang Zhitao , Huang Yanju
Published: January 2023

Two imine-linked covalent organic frameworks displayed good porosity, stability, and crystallinity via the flexible units, suggesting high iodine capture ability.
In situ quantitative single-molecule study of site-specific photocatalytic activity and dynamics on ultrathin g-C3N4 nanosheets
Authors: Wu Shuyang , Madridejos Jenica Marie L. , Lee Jinn-Kye , Lu Yunpeng , Xu Rong , Zhang Zhengyang
Published: January 2023

Single-molecule fluorescence microscopy was applied to quantify photocatalytic activities and dynamics at individual structural features of g-C3N4 nanosheets at nanometer resolution.
Branched phosphazenium salts as effective and versatile cocatalysts for epoxide/CO2 coupling
Authors: Brivio Massimiliano , Veronese Lorenzo , Tritto Incoronata , Biagini Paolo , Po’ Riccardo , Boggioni Laura , Losio Simona
Published: January 2023

Branched phosphazenium salts are tested as alternative cocatalysts to traditional PPNX salts in the CO2/epoxide copolymerization with different catalysts. Higher molecular weights and comparable or superior conversions and selectivities are achieved.
Facile grafting modification of main-chain-type semi-fluorinated alternating fluoropolymersviasimultaneous CuAAC reaction and ATRP in one pot at ambient temperature
Authors: Cheng Jiannan , Xu Xiang , Yu Qing , Li Chaojie , He Weiwei , Zhang Lifen , Cheng Zhenping
Published: January 2023

A series of novel graft copolymers with semi-fluorinated alternating backbone was achievedviasimultaneous CuAAC reaction and ATRP in one pot at ambient temperature for the first time.
Shrinkable/stretchable bis(calix[4]arenes) comprising photoreactive azobenzene or stilbene linkers
Authors: Lentin Ivan , Gorbunov Alexander , Bezzubov Stanislav , Nosova Valentina , Cheshkov Dmitry , Kovalev Vladimir , Vatsouro Ivan
Published: January 2023

The readily available azobenzene/stilbene-linked bis(calix[4]arenes) undergo longitudinal shrinking/stretching upon irradiation/heating due to E/Z isomerization of both linkers, or may undergo intramolecular [2 + 2]-photocycloaddition.
Recent updates on the biological efficacy of approved drugs and potent synthetic compounds against SARS-CoV-2
Authors: Anjani  , Kumar Sumit , Rathi Brijesh , Poonam
Published: January 2023

The role of functional group in discovery of Nirmatrelvir is valuable and interesting for development of various inhibitors against viral diseases.
Thermal analysis of novel third-generation phase-change materials with zinc as a chemical modifier
Authors: Saraswat Vishnu , Pal Shiv Kumar , Mehta N. , Kumar Arun , Imran M. M. A.
Published: January 2023

XRD patterns of the as-prepared samples indicate the glassy nature with evidence of some crystallites embedded in the glass matrix of the samples.
Bioconversion of spent coffee grounds to prebiotic mannooligosaccharides – an example of biocatalysis in biorefinery
Authors: Magengelele Mihle , Malgas Samkelo , Pletschke Brett I.
Published: January 2023

Spent coffee grounds can be bioconverted via Man26A to prebiotic mannooligosaccharides; this is an example of biocatalysis in the biorefinery.
A comprehensive review on the electrochemical parameters and recent material development of electrochemical water splitting electrocatalysts
Authors: Raveendran Asha , Chandran Mijun , Dhanusuraman Ragupathy
Published: January 2023

The periodic table elements involved in electrochemical water splitting.
Investigation of adsorption behaviors, and electronic and magnetic properties for small gas molecules adsorbed on Pt-doped arsenene by density functional calculations
Authors: Wu Ping , Huang Min
Published: January 2023

CO, NO, NO2, O2 and NH3 chemisorb on Pt-doped arsenene with larger charge transfers and higher adsorption energies than those on pristine arsenene, implying Pt-doped arsenene displays superior gas sensing performance compared to pristine arsenene.
Aqueous solutions with information on solids: room-temperature phosphorescence of polysaccharide–benzophenone complexes
Authors: Okuno Masafumi , Yamana Keita , Kawasaki Riku , Konishi Yuto , Ono Toshikazu , Ishi-i Tsutomu , Ikeda Atsushi
Published: January 2023

Water-soluble λ-carrageenan–benzophenone complexes retained their properties of crystallization-induced phosphorescence of benzophenones at room temperature in aqueous solutions.
A sensitive electrochemiluminescence immunosensor for carbohydrate antigen 12-5 analysis based on dual-function SnO2 nanoflowers
Authors: Zheng Xiangfei , Qin Dongmiao , Hu Shenglan , Mo Weiming , Deng Biyang
Published: January 2023

Tin oxide nanoflowers are used as an electrochemiluminescent emitter and a carrier of nanomaterials. A novel ECL immunosensor for detecting CA12-5 in human serum is fabricated using AuNPs/PEI-SnO2NFs.
Construction of strongly coupled 2D–2D SnS2/CdS S-scheme heterostructures for photocatalytic hydrogen evolution
Authors: Chen Xiaoyu , Han Zhi , Lu Zonghao , Qu Tingting , Liang Ce , Wang Yu , Zhang Bin , Han Xijiang , Xu Ping
Published: January 2023

2D–2D S-scheme SnS2/CdS heterostructures have been constructed, with close face-to-face contact and strongly coupled interactions to improve the charge transfer kinetics, which exhibit excellent photocatalytic hydrogen evolution activity.
Flow-through reductive catalytic fractionation of beech wood sawdust
Authors: Brandi Francesco , Pandalone Bruno , Al-Naji Majd
Published: January 2023

The use of flow-through (FT) systems in the lignin-first approach can improve the proficiency of the process. Herein, the reductive catalytic fractionation of beech wood sawdust was conducted in an FT system using 35Ni/NDC pellets.
Advances in ambient selective electrohydrogenation of nitrogen to ammonia: strategies to strengthen nitrogen chemisorption
Authors: Wang Mingli , Ma Jingkang , Shang Zhoutai , Fu Lin , Zhang Hong , Li Man-Bo , Lu Ke
Published: January 2023

Electrochemical synthesis of ammonia from stable dinitrogen molecules has attracted substantial research interest recently.