bluuebunny/crossref_metadata_2025 huggingface dataset:
Interleukin-37 promotes colitis-associated carcinogenesis via SIGIRR-mediated cytotoxic T cells dysfunction
Authors: Wang Zhen , Zeng Fan-lian , Hu Ya-wen , Wang Xiao-yan , Zhao Fu-lei , Zhou Pei , Hu Jing , Xiao Yuan-yuan , Hu Zhong-lan , Guo Ming-feng , Wei Xiao-qiong , Liu Xiao , Huang Nong-yu , Zhang Jun , Chen Shu-wen , Cheng Juan , Zheng Hua-ping , Zhou Hong , Zhao Qi-xiang , Zhang Chen , Hao Yan , Zou Song , Gui Yi-yue , Yu Jia-dong , Gu Lin-na , Yue Cheng-cheng , Zhang Hao-zhou , Wu Wen-ling , Zhou Yi-fan , Zhou Xi-kun , Shen Guo-bo , Teng Xiu , Li Jiong
Published: January 2022

Interleukin-37b (hereafter called IL-37) was identified as fundamental inhibitor of natural and acquired immunity. The molecular mechanism and function of IL-37 in colorectal cancer (CRC) has been elusive. Here, we found that IL-37 transgenic (IL-37tg) mice were highly susceptible to colitis-associated colorectal cancer (CAC) and suffered from dramatically increased tumor burdens in colon. Nevertheless, IL-37 is dispensable for intestinal mutagenesis, and CRC cell proliferation, apoptosis, and migration. Notably, IL-37 dampened protective cytotoxic T cell-mediated immunity in CAC and B16-OVA models. CD8+ T cell dysfunction is defined by reduced retention and activation as well as failure to proliferate and produce cytotoxic cytokines in IL-37tg mice, enabling tumor evasion of immune surveillance. The dysfunction led by IL-37 antagonizes IL-18–induced proliferation and effector function of CD8+ T cells, which was dependent on SIGIRR (single immunoglobulin interleukin-1 receptor-related protein). Finally, we observed that IL-37 levels were significantly increased in CRC patients, and positively correlated with serum CRC biomarker CEA levels, but negatively correlated with the CD8+ T cell infiltration in CRC patients. Our findings highlight the role of IL-37 in harnessing antitumor immunity by inactivation of cytotoxic T cells and establish a new defined inhibitory factor IL-37/SIGIRR in cancer-immunity cycle as therapeutic targets in CRC.
GDF15 promotes prostate cancer bone metastasis and colonization through osteoblastic CCL2 and RANKL activation
Authors: Siddiqui Jawed Akhtar , Seshacharyulu Parthasarathy , Muniyan Sakthivel , Pothuraju Ramesh , Khan Parvez , Vengoji Raghupathy , Chaudhary Sanjib , Maurya Shailendra Kumar , Lele Subodh Mukund , Jain Maneesh , Datta Kaustubh , Nasser Mohd Wasim , Batra Surinder Kumar
Published: January 2022

Bone metastases occur in patients with advanced-stage prostate cancer (PCa). The cell-cell interaction between PCa and the bone microenvironment forms a vicious cycle that modulates the bone microenvironment, increases bone deformities, and drives tumor growth in the bone. However, the molecular mechanisms of PCa-mediated modulation of the bone microenvironment are complex and remain poorly defined. Here, we evaluated growth differentiation factor-15 (GDF15) function using in vivo preclinical PCa-bone metastasis mouse models and an in vitro bone cell coculture system. Our results suggest that PCa-secreted GDF15 promotes bone metastases and induces bone microarchitectural alterations in a preclinical xenograft model. Mechanistic studies revealed that GDF15 increases osteoblast function and facilitates the growth of PCa in bone by activating osteoclastogenesis through osteoblastic production of CCL2 and RANKL and recruitment of osteomacs. Altogether, our findings demonstrate the critical role of GDF15 in the modulation of the bone microenvironment and subsequent development of PCa bone metastasis.
Regional trade agreement burdens global carbon emissions mitigation
Authors: Tian Kailan , Zhang Yu , Li Yuze , Ming Xi , Jiang Shangrong , Duan Hongbo , Yang Cuihong , Wang Shouyang
Published: January 2022

Regional trade agreements (RTAs) have been widely adopted to facilitate international trade and cross-border investment and promote economic development. However, ex ante measurements of the environmental effects of RTAs to date have not been well conducted. Here, we estimate the CO2 emissions burdens of the Regional Comprehensive Economic Partnership (RCEP) after evaluating its economic effects. We find that trade among RCEP member countries will increase significantly and economic output will expand with the reduction of regional tariffs. However, the results show that complete tariff elimination among RCEP members would increase the yearly global CO2 emissions from fuel combustion by about 3.1%, doubling the annual average growth rate of global CO2 emissions in the last decade. The emissions in some developing members will surge. In the longer run, the burdens can be lessened to some extent by the technological spillover effects of deeper trade liberalization. We stress that technological advancement and more effective climate policies are urgently required to avoid undermining international efforts to reduce global emissions.
Nonlinear sensitivity of glacier mass balance to future climate change unveiled by deep learning
Authors: Bolibar Jordi , Rabatel Antoine , Gouttevin Isabelle , Zekollari Harry , Galiez Clovis
Published: January 2022

Glaciers and ice caps are experiencing strong mass losses worldwide, challenging water availability, hydropower generation, and ecosystems. Here, we perform the first-ever glacier evolution projections based on deep learning by modelling the 21st century glacier evolution in the French Alps. By the end of the century, we predict a glacier volume loss between 75 and 88%. Deep learning captures a nonlinear response of glaciers to air temperature and precipitation, improving the representation of extreme mass balance rates compared to linear statistical and temperature-index models. Our results confirm an over-sensitivity of temperature-index models, often used by large-scale studies, to future warming. We argue that such models can be suitable for steep mountain glaciers. However, glacier projections under low-emission scenarios and the behaviour of flatter glaciers and ice caps are likely to be biased by mass balance models with linear sensitivities, introducing long-term biases in sea-level rise and water resources projections.
Shared features and reciprocal complementation of the Chlamydomonas and Arabidopsis microbiota
Authors: Durán Paloma , Flores-Uribe José , Wippel Kathrin , Zhang Pengfan , Guan Rui , Melkonian Barbara , Melkonian Michael , Garrido-Oter Ruben
Published: January 2022

Microscopic algae release organic compounds to the region immediately surrounding their cells, known as the phycosphere, constituting a niche for colonization by heterotrophic bacteria. These bacteria take up algal photoassimilates and provide beneficial functions to their host, in a process that resembles the establishment of microbial communities associated with the roots and rhizospheres of land plants. Here, we characterize the microbiota of the model alga Chlamydomonas reinhardtii and reveal extensive taxonomic and functional overlap with the root microbiota of land plants. Using synthetic communities derived from C. reinhardtii and Arabidopsis thaliana, we show that phycosphere and root bacteria assemble into taxonomically similar communities on either host. We show that provision of diffusible metabolites is not sufficient for phycosphere community establishment, which additionally requires physical proximity to the host. Our data suggest the existence of shared ecological principles driving the assembly of the A. thaliana root and C. reinhardtii phycosphere microbiota, despite the vast evolutionary distance between these two photosynthetic organisms.
Phase diagram of a distorted kagome antiferromagnet and application to Y-kapellasite
Authors: Hering Max , Ferrari Francesco , Razpopov Aleksandar , Mazin Igor I. , Valentí Roser , Jeschke Harald O. , Reuther Johannes
Published: January 2022

We investigate the magnetism of a previously unexplored distorted spin-1/2 kagome model consisting of three symmetry-inequivalent nearest-neighbor antiferromagnetic Heisenberg couplings J⬡, J, and $$J^{\prime}$$

J

′

, and uncover a rich ground state phase diagram even at the classical level. Using analytical arguments and numerical techniques we identify a collinear $$\overrightarrow{Q}=0$$

Q

→

=
0

magnetic phase, two unusual non-collinear coplanar $$\overrightarrow{Q}=(1/3,1/3)$$

Q

→

=

(

1
/
3
,
1
/
3

)

phases and a classical spin liquid phase with a degenerate manifold of non-coplanar ground states, resembling the jammed spin liquid phase found in the context of a bond-disordered kagome antiferromagnet. We further show with density functional theory calculations that the recently synthesized Y-kapellasite Y3Cu9(OH)19Cl8 is a realization of this model and predict its ground state to lie in the region of $$\overrightarrow{Q}=(1/3,1/3)$$

Q

→

=

(

1
/
3
,
1
/
3

)

order, which remains stable even after the inclusion of quantum fluctuation effects within variational Monte Carlo and pseudofermion functional renormalization group. The presented model opens a new direction in the study of kagome antiferromagnets.
Direct observation of the spin–orbit coupling effect in magnetic Weyl semimetal Co3Sn2S2
Authors: Liu D. F. , Liu E. K. , Xu Q. N. , Shen J. L. , Li Y. W. , Pei D. , Liang A. J. , Dudin P. , Kim T. K. , Cacho C. , Xu Y. F. , Sun Y. , Yang L. X. , Liu Z. K. , Felser C. , Parkin S. S. P. , Chen Y. L.
Published: January 2022

The spin–orbit coupling (SOC) lifts the band degeneracy that plays a vital role in the search for different topological states, such as topological insulators (TIs) and topological semimetals (TSMs). In TSMs, the SOC can partially gap a degenerate nodal line, leading to the formation of Dirac/Weyl semimetals (DSMs/WSMs). However, such SOC-induced gap structure along the nodal line in TSMs has not yet been systematically investigated experimentally. Here, we report a direct observation of such gap structure in a magnetic WSM Co3Sn2S2 using high-resolution angle-resolved photoemission spectroscopy. Our results not only reveal the existence and importance of the strong SOC effect in the formation of the WSM phase in Co3Sn2S2, but also provide insights for the understanding of its exotic physical properties.
Proteomic cellular signatures of kinase inhibitor-induced cardiotoxicity
Authors: Xiong Yuguang , Liu Tong , Chen Tong , Hansen Jens , Hu Bin , Chen Yibang , Jayaraman Gomathi , Schürer Stephan , Vidovic Dusica , Goldfarb Joseph , Sobie Eric A. , Birtwistle Marc R. , Iyengar Ravi , Li Hong , Azeloglu Evren U.
Published: January 2022

Drug Toxicity Signature Generation Center (DToxS) at the Icahn School of Medicine at Mount Sinai is one of the centers for the NIH Library of Integrated Network-Based Cellular Signatures (LINCS) program. Its key aim is to generate proteomic and transcriptomic signatures that can predict cardiotoxic adverse effects of kinase inhibitors approved by the Food and Drug Administration. Towards this goal, high throughput shotgun proteomics experiments (308 cell line/drug combinations +64 control lysates) have been conducted. Using computational network analyses, these proteomic data can be integrated with transcriptomic signatures, generated in tandem, to identify cellular signatures of cardiotoxicity that may predict kinase inhibitor-induced toxicity and enable possible mitigation. Both raw and processed proteomics data have passed several quality control steps and been made publicly available on the PRIDE database. This broad protein kinase inhibitor-stimulated human cardiomyocyte proteomic data and signature set is valuable for prediction of drug toxicities.
Global gridded crop harvested area, production, yield, and monthly physical area data circa 2015
Authors: Grogan Danielle , Frolking Steve , Wisser Dominik , Prusevich Alex , Glidden Stanley
Published: January 2022

Here we provide an update to global gridded annual and monthly crop datasets. This new dataset uses the crop categories established by the Global Agro-Ecological Zones (GAEZ) Version 3 model, which is based on the Food and Agricultural Organization of the United Nations (FAO) crop production data. We used publicly available data from the FAOSTAT database as well as GAEZ Version 4 global gridded dataset to generate circa 2015 annual crop harvested area, production, and yields by crop production system (irrigated and rainfed) for 26 crops and crop categories globally at 5-minute resolution. We additionally used available data on crop rotations, cropping intensity, and planting and harvest dates to generate monthly gridded cropland data for physical areas for the 26 crops by production system. These data are in standard georeferenced gridded format, and can be used by any global hydrology, land surface, or other earth system model that requires gridded annual or monthly crop data inputs.
Psychophysiology of positive and negative emotions, dataset of 1157 cases and 8 biosignals
Authors: Behnke Maciej , Buchwald Mikołaj , Bykowski Adam , Kupiński Szymon , Kaczmarek Lukasz D.
Published: January 2022

Subjective experience and physiological activity are fundamental components of emotion. There is an increasing interest in the link between experiential and physiological processes across different disciplines, e.g., psychology, economics, or computer science. However, the findings largely rely on sample sizes that have been modest at best (limiting the statistical power) and capture only some concurrent biosignals. We present a novel publicly available dataset of psychophysiological responses to positive and negative emotions that offers some improvement over other databases. This database involves recordings of 1157 cases from healthy individuals (895 individuals participated in a single session and 122 individuals in several sessions), collected across seven studies, a continuous record of self-reported affect along with several biosignals (electrocardiogram, impedance cardiogram, electrodermal activity, hemodynamic measures, e.g., blood pressure, respiration trace, and skin temperature). We experimentally elicited a wide range of positive and negative emotions, including amusement, anger, disgust, excitement, fear, gratitude, sadness, tenderness, and threat. Psychophysiology of positive and negative emotions (POPANE) database is a large and comprehensive psychophysiological dataset on elicited emotions.
A global coral-bleaching database, 1980–2020
Authors: van Woesik Robert , Kratochwill Chelsey
Published: January 2022

Coral reefs are the world’s most diverse marine ecosystems that provide resources and services that benefit millions of people globally. Yet, coral reefs have recently experienced an increase in the frequency and intensity of thermal-stress events that are causing coral bleaching. Coral bleaching is a result of the breakdown of the symbiosis between corals and their symbiotic microalgae, causing the loss of pigments and symbionts, giving corals a pale, bleached appearance. Bleaching can be temporary or fatal for corals, depending on the species, the geographic location, historical conditions, and on local and regional influences. Indeed, marine heat waves are the greatest threat to corals worldwide. Here we compile a Global Coral-Bleaching Database (GCBD) that encompasses 34,846 coral bleaching records from 14,405 sites in 93 countries, from 1980–2020. The GCBD provides vital information on the presence or absence of coral bleaching along with site exposure, distance to land, mean turbidity, cyclone frequency, and a suite of sea-surface temperature metrics at the times of survey.
ECD-UY, detailed household electricity consumption dataset of Uruguay
Authors: Chavat Juan , Nesmachnow Sergio , Graneri Jorge , Alvez Gustavo
Published: January 2022

This article introduces a dataset containing electricity consumption records of residential households in Uruguay (mostly in Montevideo). The dataset is conceived to analyze customer behavior and detect patterns of energy consumption that can help to improve the service. The dataset is conformed by three subsets that cover total household consumption, electric water heater consumption, and by-appliance electricity consumption, with sample intervals from one to fifteen minutes. The datetime ranges of the recorded consumptions vary depending on the subset, from some weeks long to some years long. The data was collected by the Uruguayan electricity company (UTE) and studied by Universidad de la República. The presented dataset is a valuable input for researchers in the study of energy consumption patterns, energy disaggregation, the design of energy billing plans, among other relevant issues related to the intelligent utilization of energy in modern smart cities.
A universal methodology for reliable predicting the non-steroidal anti-inflammatory drug solubility in supercritical carbon dioxide
Authors: Rezaei Tahereh , Nazarpour Vesal , Shahini Nahal , Bahmani Soufia , Shahkar Amir , Abdihaji Mohammadreza , Ahmadi Sina , Shahdost Farzad Tat
Published: January 2022

Understanding the drug solubility behavior is likely the first essential requirement for designing the supercritical technology for pharmaceutical processing. Therefore, this study utilizes different machine learning scenarios to simulate the solubility of twelve non-steroidal anti-inflammatory drugs (NSAIDs) in the supercritical carbon dioxide (SCCO2). The considered NSAIDs are Fenoprofen, Flurbiprofen, Ibuprofen, Ketoprofen, Loxoprofen, Nabumetone, Naproxen, Nimesulide, Phenylbutazone, Piroxicam, Salicylamide, and Tolmetin. Physical characteristics of the drugs (molecular weight and melting temperature), operating conditions (pressure and temperature), and solvent property (SCCO2 density) are effectively used to estimate the drug solubility. Monitoring and comparing the prediction accuracy of twelve intelligent paradigms from three categories (artificial neural networks, support vector regression, and hybrid neuro-fuzzy) approves that adaptive neuro-fuzzy inference is the best tool for the considered task. The hybrid optimization strategy adjusts the cluster radius of the subtractive clustering membership function to 0.6111. This model estimates 254 laboratory-measured solubility data with the AAPRE = 3.13%, MSE = 2.58 × 10–9, and R2 = 0.99919. The leverage technique confirms that outliers may poison less than four percent of the experimental data. In addition, the proposed hybrid paradigm is more reliable than the equations of state and available correlations in the literature. Experimental measurements, model predictions, and relevancy analyses justified that the drug solubility in SCCO2 increases by increasing temperature and pressure. The results show that Ibuprofen and Naproxen are the most soluble and insoluble drugs in SCCO2, respectively.
COVID-19 lockdowns reveal the resilience of Adriatic Sea fisheries to forced fishing effort reduction
Authors: Coro Gianpaolo , Tassetti Anna Nora , Armelloni Enrico Nicola , Pulcinella Jacopo , Ferrà Carmen , Sprovieri Mario , Trincardi Fabio , Scarcella Giuseppe
Published: January 2022

The COVID-19 pandemic provides a major opportunity to study fishing effort dynamics and to assess the response of the industry to standard and remedial actions. Knowing a fishing fleet’s capacity to compensate for effort reduction (i.e., its resilience) allows differentiating governmental regulations by fleet, i.e., imposing stronger restrictions on the more resilient and weaker restrictions on the less resilient. In the present research, the response of the main fishing fleets of the Adriatic Sea to fishing hour reduction from 2015 to 2020 was measured. Fleet activity per gear type was inferred from monthly Automatic Identification System data. Pattern recognition techniques were applied to study the fishing effort trends and barycentres by gear. The beneficial effects of the lockdowns on Adriatic endangered, threatened and protected (ETP) species were also estimated. Finally, fleet effort series were examined through a stock assessment model to demonstrate that every Adriatic fishing fleet generally behaves like a stock subject to significant stress, which was particularly highlighted by the pandemic. Our findings lend support to the notion that the Adriatic fleets can be compared to predators with medium-high resilience and a generally strong impact on ETP species.
Little genomic support for Cyclophilin A-matrix metalloproteinase-9 pathway as a therapeutic target for cognitive impairment in APOE4 carriers
Authors: Anderson Emma L. , Williams Dylan M. , Walker Venexia M. , Davies Neil M.
Published: January 2022

Therapeutic targets for halting the progression of Alzheimer’s disease pathology are lacking. Recent evidence suggests that APOE4, but not APOE3, activates the Cyclophilin-A matrix metalloproteinase-9 (CypA-MMP9) pathway, leading to an accelerated breakdown of the blood–brain barrier (BBB) and thereby causing neuronal and synaptic dysfunction. Furthermore, blockade of the CypA-MMP9 pathway in APOE4 knock-in mice restores BBB integrity and subsequently normalizes neuronal and synaptic function. Thus, CypA has been suggested as a potential target for treating APOE4 mediated neurovascular injury and the resulting neuronal dysfunction and degeneration. The odds of drug targets passing through clinical trials are greatly increased if they are supported by genomic evidence. We found little evidence to suggest that CypA or MMP9 affects the risk of Alzheimer’s disease or cognitive impairment using two-sample Mendelian randomization and polygenic risk score analysis in humans. This casts doubt on whether they are likely to represent effective drug targets for cognitive impairment in human APOE4 carriers.
Multipole-moment effects in ion–molecule reactions at low temperatures: part II – charge–quadrupole-interaction-induced suppression of the He+ + N2 reaction at collision energies below kB·10 K
Authors: Zhelyazkova Valentina , Martins Fernanda B. V. , Žeško Matija , Merkt Frédéric
Published: January 2022

We report on an experimental and theoretical investigation of the He+ + N2 reaction at collision energies in the range between 0 and kB·10 K.
Single-atom catalyst of TM@D-silicene—an effective way to reduce N2 into ammonia
Authors: Hou Pengfei , Huang Yuhong , Ma Fei , Zhu Gangqiang , Zhang Jianmin , Wei Xiumei , Du Peiyuan , Liu Jing
Published: January 2022

Through two kinds of screening mechanisms, Cr@D-silicene SAC is picked out from 28 TM@silicene SACs as a potential candidate for NRR with great structural stability, high selectivity, and activity for NRR.
Stability of the polyynic form of C18, C22, C26, and C30nanorings: a challenge tackled by range-separated double-hybrid density functionals
Authors: Brémond E. , Pérez-Jiménez A. J. , Adamo C. , Sancho-García J. C.
Published: January 2022

We calculate the relative energy between the cumulene and polyyne structures of a set of C4k+2(k= 4–7) rings (C18, C22, C26, and C30prompted by the recent synthesis of the cyclo[18]carbon (or simply C18) compounds.
Atomistic level aqueous dissolution dynamics of NASICON-Type Li1+xAlxTi2−x(PO4)3 (LATP)
Authors: Sengul Mert Y. , Ndayishimiye Arnaud , Lee Wonho , Seo Joo-Hwan , Fan Zhongming , Shin Yun Kyung , Gomez Enrique D. , Randall Clive A. , van Duin Adri C. T.
Published: January 2022

The surface dissolution at the LATP aqueous interface is a sequentially dynamic process starting with phosphate dissolution destabilizing the NASICON structure and continues with a titanium-rich secondary phase formation.
Core–shell CuO@NiCoMn-LDH supported by copper foam for high-performance supercapacitors
Authors: Wang Lu , You Junhua , Zhao Yao , Bao Wanting
Published: January 2022

The novel core@shell heterostructure of CuO@NiCoMn-LDH has high conductivity and excellent stability and can be used for asymmetric supercapacitors with a high energy density.
A hydrostable CuII coordination network prepared hydrothermally as a “turn-on” fluorescent sensor for S2− and a selective adsorbent for methylene blue
Authors: Yu Xin-Xin , Cheng Hao , Li Xuan , Li Ya-Jun , Song Xue-Qin
Published: January 2022

A new CuII coordination network with high conjugation as well as abundant available active sites as a selective Na2S, (NH4)2S and H2S sensor and adsorbent of methylene blue with excellent recovery was developed.
Bright excitonic multiplexing mediated by dark exciton transition in two-dimensional TMDCs at room temperature
Authors: Katznelson Shaul , Cohn Bar , Sufrin Shmuel , Amit Tomer , Mukherjee Subhrajit , Kleiner Vladimir , Mohapatra Pranab , Patsha Avinash , Ismach Ariel , Refaely-Abramson Sivan , Hasman Erez , Koren Elad
Published: January 2022

Room-temperature wavelength multiplexing of the two-primary bright excitonic channels (Ab-, Bb-) in monolayer transition metal dichalcogenides (TMDs) arising from a dark exciton mediated transition.
Interlayer exciton emission in a MoS2/VOPc inorganic/organic van der Waals heterostructure
Authors: Kong Yuhan , Obaidulla Sk Md , Habib Mohammad Rezwan , Wang Zukun , Wang Rong , Khan Yahya , Zhu Haiming , Xu Mingsheng , Yang Deren
Published: January 2022

New emission is observed in the heterostructure built from MoS2 and VOPc. The appearance of the interlayer exciton emission is attributed to the carrier transition from the generated interface mid-gap states of VOPc to the ground states of MoS2.
Molecular recognition-driven supramolecular nanoassembly of a hydrophobic uracil prodrug and hydrophilic cytarabine for precise combination treatment of solid and non-solid tumors
Authors: Li Chang , Wang Qiu , Li Dan , Liu Yubo , Hu Baichun , Feng Yao , Zhang Haotian , He Zhonggui , Luo Cong , Sun Jin
Published: January 2022

The reduction sensitive supramolecular nanoassembly was based on U-SS-DOX and Ara-C specific molecular recognition. The drug release in the supramolecular nanoassembly was triggered and controlled in tumor cells with low pH and excessive GSH.
Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes
Authors: Costa Letícia D. , Guieu Samuel , Faustino Maria do Amparo F. , Tomé Augusto C.
Published: January 2022

Thiazolo[5,4-c]isoquinolines, an (up to now) elusive family of compounds, are prepared in one reaction only from simple commercial reagents.
Halogen atom effect of fluorinated tolanes on their luminescence characteristics
Authors: Morita Masato , Yamada Shigeyuki , Konno Tsutomu
Published: January 2022

Modification of the halogen constituent in the fluorinated tolane moiety is an effective method for tailoring the functionality of the material.
Toughening shape-memory epoxy resins via sacrificial hydrogen bonds
Authors: Shen Yibo , Wang Baolong , Li Da , Xu Xirong , Liu Yingying , Huang Yudong , Hu Zhen
Published: January 2022

A strong and tough epoxy resin with shape memory property was demonstrated.
Linker dependent symmetry breaking charge separation in 9,10-bis(phenylethynyl)anthracene dimers
Authors: Su Pengkun , Liu Heyuan , Shen Li , Zhou Jun , Wang Weijie , Liu Shanshan , Nie Xinyu , Li Zhi , Liu Zhaobin , Chen Yanli , Li Xiyou
Published: January 2022

Fast symmetry breaking charge separation (SB-CS) rate and slow CS recombination rate were achieved simultaneously via tuning the molecular geometry.
Recent advances in transition-metal catalyzed directed C–H functionalization with fluorinated building blocks
Authors: Sindhe Haritha , Chaudhary Bharatkumar , Chowdhury Neelanjan , Kamble Akshay , Kumar Vivek , Lad Aishwarya , Sharma Satyasheel
Published: January 2022

This review focuses on the advances in transition-metal catalyzed reactions with fluorinated building blocksviadirected C–H bond activation for the construction of diverse organic molecules with an insight into the probable mechanistic pathway.
Construction of diverse C–S/C–Se bonds via nickel catalyzed reductive coupling employing thiosulfonates and a selenosulfonate under mild conditions
Authors: Liu Yong , Xing Shuya , Zhang Jing , Liu Wen , Xu Yuenian , Zhang Yan , Yang Kefang , Yang Lei , Jiang Kezhi , Shao Xinxin
Published: January 2022

A nickel-catalyzed reductive cross coupling between organic iodides and thiosulfonates and a selenosulfonate under mild conditions is disclosed.
Site-specific DNA functionalization through the tetrazene-forming reaction in ionic liquids
Authors: Ishizawa Seiya , Tumurkhuu Munkhtuya , Gross Elizabeth J. , Ohata Jun
Published: January 2022

Site-specific chemical modification of unprotected DNAs through a phosphine-mediated amine–azide coupling reaction in ionic liquid.
NUIG4: A biocompatible pcu metal–organic framework with an exceptional doxorubicin encapsulation capacity
Authors: Ahmed Ahmed , Efthymiou Constantinos G. , Sanii Rana , Patyk-Kazmierczak Ewa , Alsharabasy Amir M. , Winterlich Meghan , Kumar Naveen , Sensharma Debobroto , Tong Wenming , Guerin Sarah , Farras Pau , Hudson Sarah , Thompson Damien , Zaworotko Michael J. , Tasiopoulos Anastasios J. , Papatriantafyllopoulou Constantina
Published: January 2022

The synthesis and characterization of the biocompatible MOF NUIG4 is reported; NUIG4 possesses an unprecedently high doxorubicin (DOX) encapsulation capacity (1955 mg DOX/g NUIG4) with a pH-controlled release mechanism.
Carboxamide substituted tetramethylcyclopentadiene – synthesis, characterisation and its iridium(iii) complex catalysed reduction of imines
Authors: Mwansa Joseph M. , Stirling Matthew J. , Sweeney Gemma , Hanusek Jiří , Váňa Jiří , Page Michael I.
Published: January 2022

The novel dimeric iodo-iridium(iii) complex bearing an amide moiety within the tetramethylcyclopentadiene ring, has been synthesised, characterised and its catalytic activity has been evaluated in the transfer hydrogenation of imines.
A beginner’s guide to lipidomics
Authors: Swinnen Johannes V. , Dehairs Jonas
Published: January 2022

Lipidomics refers to the large-scale analysis of the complete set of lipids – the ‘lipidome’ – in any biological system. Methodologically, it heavily relies on mass spectrometry, an analytic technique enabling the identification and quantification of molecules in a complex sample based on slight differences in their mass and charge. Recent advances in this field have fuelled the development of novel approaches including tracer lipidomics and spatial lipidomics, allowing an unprecedented insight into this complex class of biomolecules. As lipids play numerous physiological roles and are affected in a wide range of pathologies, the study of lipids and their metabolic pathways offers great potential for biomarker discovery and for the development of novel therapeutic interventions.
The Impacts of Noise Exposure on the Middle Ear Muscle Reflex in a Veteran Population
Authors: Bramhall Naomi F. , Reavis Kelly M. , Feeney M. Patrick , Kampel Sean D.
Published: January 2022

Purpose:

Human studies of noise-induced cochlear synaptopathy using physiological indicators identified in animal models (auditory brainstem response [ABR] Wave I amplitude, envelope following response [EFR], and middle ear muscle reflex [MEMR]) have yielded mixed findings. Differences in the population studied may have contributed to the differing results. For example, due to differences in the intensity level of the noise exposure, noise-induced synaptopathy may be easier to detect in a military Veteran population than in populations with recreational noise exposure. We previously demonstrated a reduction in ABR Wave I amplitude and EFR magnitude for young Veterans with normal audiograms reporting high levels of noise exposure compared to non-Veteran controls. In this article, we expand on the previous analysis in the same population to determine if MEMR magnitude is similarly reduced.

Method:

Contralateral MEMR growth functions were obtained in 92 young Veterans and non-Veterans with normal audiograms, and the relationship between noise exposure history and MEMR magnitude was assessed. Associations between MEMR magnitude and distortion product otoacoustic emission, EFR, and ABR measurements collected in the same sample were also evaluated.

Results:

The results of the statistical analysis, although not conventionally statistically significant, suggest a reduction in mean MEMR magnitude for Veterans reporting high noise exposure compared with non-Veteran controls. In addition, the MEMR appears relatively insensitive to subclinical outer hair cell dysfunction, as measured by distortion product otoacoustic emissions, and is not well correlated with ABR and EFR measurements.

Conclusions:

When combined with our previous ABR and EFR findings in the same population, these results suggest that noise-induced synaptopathy occurs in humans. In addition, the findings indicate that the MEMR may be a good candidate for noninvasive diagnosis of cochlear synaptopathy/deafferentation and that the MEMR may reflect the integrity of different neural populations than the ABR and EFR.

Supplemental Material:

https://doi.org/10.23641/asha.18665645
Comparison of Respiratory Calibration Methods for the Estimation of Lung Volume in Children With and Without Neuromotor Disorders
Authors: Darling-White Meghan
Published: January 2022

Purpose:

The primary purpose of this study was to validate common respiratory calibration methods for estimating lung volume in children.

Method:

Respiratory kinematic data were collected via inductive plethysmography from 81 typically developing children and nine children with neuromotor disorders. Correction factors for the rib cage and abdomen were calculated using three different methods: (a) least squares method with both rib cage and abdomen corrections (LsqRC/AB), (b) least squares method with rib cage correction only (LsqRC), and (c) a standard 2:1 rib-cage-to-abdomen ratio (Banzett). Correction factors for the LsqRC/AB and LsqRC methods were calculated with and without the use of the speech-like breathing calibration task. Lung volume estimation errors were calculated by comparing the estimated lung volumes based on the correction factors and the actual lung volumes acquired from a spirometer, normalized to each participant's vital capacity.

Results:

For typically developing children, the LsqRC/AB method resulted in significantly smaller lung volume estimation errors compared with other methods. Lung volume estimation errors decreased as age increased for each method. For the children with neuromotor disorders, the LsqRC/AB and LsqRC methods resulted in significantly smaller lung volume estimation errors than the Banzett method but were not significantly different from one another. There were no significant differences in lung volume estimation errors for the LsqRC/AB and LsqRC methods when the correction factors were calculated with and without the speech-like breathing calibration task.

Conclusion:

The LsqRC/AB method exclusively utilizing the rest breathing calibration task is the most accurate and efficient respiratory calibration method for use with children with and without neuromotor disorders at this time.
Chemical exploration of Galactic cold cores
Authors: Zhou Chenlin , Vastel Charlotte , Montillaud Julien , Ceccarelli Cecilia , Demyk Karine , Harju Jorma , Juvela Mika , Ristorcelli Isabelle , Liu Tie
Published: January 2022

Context. A solar-type system starts from an initial molecular core that acquires organic complexity as it evolves. The so-called prestellar cores that can be studied are rare, which has hampered our understanding of how organic chemistry sets in and grows.

Aims. We selected the best prestellar core targets from the cold core catalogue (based on Planck and Herschel observations) that represent a diversity in terms of their environment to explore their chemical complexity: 1390 (in the compressed shell of Lambda Ori), 869 (in the MBM12 cloud), and 4149 (in the California nebula).

Methods. We obtained a spectral survey with the IRAM 30 m telescope in order to explore the molecular complexity of the cores. We carried out a radiative transfer analysis of the detected transitions in order to place some constraints on the physical conditions of the cores and on the molecular column densities. We also used the molecular ions in the survey to estimate the cosmic-ray ionisation rate and the S/H initial elemental abundance using a gas-phase chemical model to reproduce their abundances.

Results. We found large differences in the molecular complexity (deuteration, complex organic molecules, sulphur, carbon chains, and ions) and compared their chemical properties with a cold core and two prestellar cores. The chemical diversity we found in the three cores seems to be correlated with their chemical evolution: two of them are prestellar (1390 and 4149), and one is in an earlier stage (869).

Conclusions. The influence of the environment is likely limited because cold cores are strongly shielded from their surroundings. The high extinction prevents interstellar UV radiation from penetrating deeply into the cores. Higher spatial resolution observations of the cores are therefore needed to constrain the physical structure of the cores, as well as a larger-scale distribution of molecular ions to understand the influence of the environment on their molecular complexity.
The quenching of galaxies, bulges, and disks since cosmic noon
Authors: Bluck Asa F. L. , Maiolino Roberto , Brownson Simcha , Conselice Christopher J. , Ellison Sara L. , Piotrowska Joanna M. , Thorp Mallory D.
Published: January 2022

We present an analysis of the quenching of star formation in galaxies, bulges, and disks throughout the bulk of cosmic history, fromz = 2 − 0. We utilise observations from the Sloan Digital Sky Survey and the Mapping Nearby Galaxies at Apache Point Observatory survey at low redshifts. We complement these data with observations from the Cosmic Assembly Near-Infrared Deep Extragalactic Legacy Survey at high redshifts. Additionally, we compare the observations to detailed predictions from the LGalaxies semi-analytic model. To analyse the data, we developed a machine learning approach utilising a Random Forest classifier. We first demonstrate that this technique is extremely effective at extracting causal insight from highly complex and inter-correlated model data, before applying it to various observational surveys. Our primary observational results are as follows: at all redshifts studied in this work, we find bulge mass to be the most predictive parameter of quenching, out of the photometric parameter set (incorporating bulge mass, disk mass, total stellar mass, andB/Tstructure). Moreover, we also find bulge mass to be the most predictive parameter of quenching in both bulge and disk structures, treated separately. Hence, intrinsic galaxy quenching must be due to a stable mechanism operating over cosmic time, and the same quenching mechanism must be effective in both bulge and disk regions. Despite the success of bulge mass in predicting quenching, we find that central velocity dispersion is even more predictive (when available in spectroscopic data sets). In comparison to the LGalaxies model, we find that all of these observational results may be consistently explained through quenching via preventative ‘radio-mode’ active galactic nucleus feedback. Furthermore, many alternative quenching mechanisms (including virial shocks, supernova feedback, and morphological stabilisation) are found to be inconsistent with our observational results and those from the literature.
Discovery of a highly magnetic He-sdO star from a double-degenerate binary merger
Authors: Dorsch M. , Reindl N. , Pelisoli I. , Heber U. , Geier S. , Istrate A. G. , Justham S.
Published: January 2022

Helium-rich hot subdwarf stars of spectral type O (He-sdO) are considered prime candidates for stellar merger remnants. Such events should lead to the generation of strong magnetic fields. However, no magnetic He-sdO has yet been unambiguously discovered despite the high magnetic rate (20%) among white dwarf stars, the progeny of hot subdwarfs. Here we present the discovery of a strong magnetic field (B = 353 ± 10 kG) from Zeeman-split hydrogen, helium, and metal lines in the optical X-shooter spectrum of an He-sdO and present the first spectroscopic analysis of any magnetic hot subdwarf. For this we used line-blanketed TLUSTY non-local thermodynamic equilibrium models and assumed a simple homogeneous magnetic field. The derived atmospheric parameters Teff = 44 900 ± 1000 K and log g = 5.93 ± 0.15 are typical for He-sdO stars, while the star is less hydrogen-poor than most He-sdOs at log n(He)/n(H) = + 0.28 ± 0.10. The star is a slow rotator (vrot sin i < 40 km s−1). Its chemical composition is N-rich and C- and O-poor, and the Si and S abundances are close to solar. Combining the atmospheric parameters with Gaia parallax and photometry, the stellar radius and luminosity are found to be typical for He-sdOs and place the star on the helium main sequence in the Hertzsprung-Russell diagram. Its mass of 0.93−0.30+0.44 M⊙, although uncertain, appears to be remarkably high. The strong magnetic field along with the atmospheric parameters and metal abundances provide overwhelming evidence for the double-degenerate merger scenario.
Removal of a non-steroidal anti-inflammatory drug (Piroxicam) in an aqueous medium by an agricultural by-product
Authors: Samghouli Nora , Regraguy Boutaina , Abahdou Fatima-Zahra , Azoulay Karima , Bencheikh Imane , Mabrouki Jamal , El Hajjaji Souad
Published: January 2022

The presence of pharmaceuticals in the environment has increased. These pollutants are toxic and non-biodegradable. Piroxicam (PRX) is a non-steroidal anti-inflammatory drug that ends up in wastewater via pharmaceutical industry activities and human being consumption. This work aimed to study the pharmaceutical pollutant removal from wastewater using agricultural by-products as low-cost adsorbent material. Different parameters were studied, such as time, initial adsorbate concentrations, and temperature. The study of the initial concentration-effect shows that the greatest amount of adsorbed is observed in low concentrations. The temperature has shown a negative effect in this study. The kinetics show that after 45min, the equilibrium is obtained; that means the exhaustion of all active sites. The representative model of this adsorption is the Langmuir isotherm according to the regression coefficient, which is equal to 0.99. The natural abundance of this material and the low cost of investment could offer a good alternative to other more expensive adsorbents such as activated carbon.
Study on Sedimentary Characteristics of Chang 9 Member of Triassic in Ordos Basin
Authors: Bai Jingbiao
Published: January 2022

The Triassic Yanchang Formation in the Ordos Basin is one of the main exploration targets. Based on the detailed exploration of the outcrop at the southern margin of the Ordos Basin, combined with previous results, a systematic analysis of lithology, rock assemblage, sedimentary facies characteristics and temporal evolution is carried out. The results show that the Changchang 9 oil-bearing group on the southern margin of the Ordos Basin can be divided into 9 lithofacies types, and three types of sedimentary facies, meandering river, meandering river delta, and braided river delta are developed. The meandering river facies develops riverbed retention deposits, beaches, and There are four types of microfacies in natural dikes and rupture fans. There are five types of microfacies in meandering river deltas: underwater distributary channels, underwater natural dikes, divert bays, estuary dams, and remote sand dams. Braided river deltas develop underwater distributary channels, There are two kinds of microfacies between distributary channels; the Chang 9 oil-bearing group has a coarse-fine-coarse compound rhythm in the vertical direction; meandering river sand bodies and delta front sand bodies are the main places for oil and gas migration and accumulation.
Synthesis of organic boron crosslinker for polyvinyl alcohol gel
Authors: Zhang Zhenhuo , Liang Haijun , Wei Xiaolong
Published: January 2022

In this article, borax was used as the prime agent, and the organic boron that cross-linked agent was synthesized using adding sodium tartrate. The synthesis response shapes were optimized using unmarried factor way. The temperature opposition and crosslinking time of the fracturing fluid were used as the appraisal standards to decide the organic boron. The cross-linking agent's optimal synthesis statuses were measured, and the chemical and forcible holdings of the fracturing fluid after cross-linking with the polyvinyl alcohol-based liquid were measured.
The Key Application Technology of Desulfurized Gypsum in Dry-Mixed Mortar
Authors: Fang Guangxu , Pan Jin , Ma Rui , Wang Huan , Wang Jipeng
Published: January 2022

In this paper, in view of the problem of low early and late strength of dry-mixed mortar prepared by cement-fly ash-slag powder composite cementing system, the ratio of mixing fly ash and slag powder to replace cement is 70%. To study the effect of desulfurization gypsum (FGD) on improving the activity of the system. The results show that adding desulfurized gypsum, which accounts for 6% to 8% of the total mass of the cementitious material, has no adverse effect on the workability and can significantly improve the compressive resistance of the slurry. Strength and tensile bonding strength, shrinkage rate is reduced by more than 10%, and the ability to resist carbonization is improved to make the mortar volume more stable.
Controlling factors of matrix acidizing potential of low permeability clastic reservoir in faulted lacustrine basin
Authors: Xu Ningning , Wang Yongshi , Zhang Shoupeng , Li Bo , Fang Zhengwei
Published: January 2022

Based on constant rate mercury injection experiment, casting thin section identification, scanning electron microscope observation, clay mineral X-ray and rock specific surface area analysis, the controlling factors of matrix acidizing potential of low-permeability sandstone reservoir in fault depression lacustrine basin were determined from three aspects: pore filling, throat filling and pore-throat combination characteristics. It is concluded that provenance controls the plane partition of reservoir pore fillings. Burial depth controls the longitudinal zoning of key filling material in reservoir throat. The difference of rock structure in sedimentary facies - microfacies controlling zone leads to the change of pore-throat assemblage pattern. The matrix acidizing scheme of low permeability sandstone reservoir in fault depression basin can be formulated according to the law of “provenance zoning, buried depth zoning and being controlled by microfacies in zone”, and the implementation scheme of pre-acid, main acid and post-acid can be put forward respectively. This method can effectively promote the integration process of exploration and development of low permeability clastic reservoir in mature exploration area.
Review and Analysis on Trajectory Big Data
Authors: Wu Xueying , Xia Liheng
Published: January 2022

A trajectory can be seen as the imprint left in space by a moving object over time. In recent years, with the widespread use of civil GPS and other positioning devices on mobile terminals and the development and popularity of location-based services and mobile social networks, a large amount of trajectory data is increasingly accumulated in daily life and served by different types of applications. A large amount of trajectory data is generated in the fields of traffic, weather, ecology and mobile services. The effective understanding and utilization of these data requires not only automatic and efficient analysis methods, but also intuitive and vivid visualization, and this paper summarizes the application of trajectory data in cities.