bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unlocking the Remarkable Influence of Intramolecular Group Rotation for Third‐order Nonlinear Optical Properties
Authors: Geng Kangshuai , Xie Qiong , Zhao Yujie , Yang Linpo , Song Yinglin , Hou Hongwei 
Published: March 2021

AbstractThis work exposes for the first time the remarkable influence of intramolecular group rotation on third‐order nonlinear optical (NLO) performance. In order to prove the role of group rotation, we designed and synthesized two photo‐response compounds tetramethyl 5,5′‐(((diazene‐1,2‐diylbis(4,1‐phenylene))bis(oxy))bis(methylene))diisophthalate (1) and 5,5′‐(((diazene‐1,2‐diylbis(4,1‐phenylene))bis(oxy))bis(methylene))diisophthalic acid (2) and investigated their NLO performance under different substituent (benzyloxy group) rotation states. 1 and 2 have dynamic benzyloxy group rotation in dilute solution and shows reverse saturated absorption (RSA). When the benzyloxy group rotation of 1 and 2 was restricted by PMMA, their NLO performance not only converted into saturated absorption (SA) and NLO refraction behaviours, but also hardly changed after isomerization. Interestingly, we also restricted the benzyloxy group rotation in solution to a certain extent through photo‐induced trans→cis isomerization, and found that the NLO performances of cis isomers of 1 and 2 exhibit SA and positive refraction and are similar to those of 1‐PMMA and 2‐PMMA. This work provides a new exploratory method for studying the influencing factors of third‐order NLO performance.
Early life exposure to air pollution impacts neuronal and glial cell function leading to impaired neurodevelopment
Authors: Morris Rebecca H. , Counsell Serena J. , McGonnell Imelda M. , Thornton Claire 
Published: March 2021

AbstractThe World Health Organisation recently listed air pollution as the most significant threat to human health. Air pollution comprises particulate matter (PM), metals, black carbon and gases such as ozone (O3), nitrogen dioxide (NO2) and carbon monoxide (CO). In addition to respiratory and cardiovascular disease, PM exposure is linked with increased risk of neurodegeneration as well as neurodevelopmental impairments. Critically, studies suggest that PM crosses the placenta, making direct in utero exposure a reality. Rodent models reveal that neuroinflammation, neurotransmitter imbalance and oxidative stress are triggered following gestational/early life exposure to PM, and may be exacerbated by concomitant mitochondrial dysfunction. Gestational PM exposure (potentiated by mitochondrial impairment in the metabolically active neonatal brain) not only impacts neurodevelopment but may sensitise the brain to subsequent cognitive impairment. Having reviewed this field, we conclude that strategies are urgently required to reduce exposure to PM during this sensitive developmental period.
There is no evidence of SARS‐CoV‐2 laboratory origin: Response to Segreto and Deigin (DOI: 10.1002/bies.202000240)
Authors: Tyshkovskiy Alexander , Panchin Alexander Y. 
Published: March 2021

AbstractThe origin of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is the subject of many hypotheses. One of them, proposed by Segreto and Deigin, assumes artificial chimeric construction of SARS‐CoV‐2 from a backbone of RaTG13‐like CoV and receptor binding domain (RBD) of a pangolin MP789‐like CoV, followed by serial cell or animal passage. Here we show that this hypothesis relies on incorrect or weak assumptions, and does not agree with the results of comparative genomics analysis. The genetic divergence between SARS‐CoV‐2 and both its proposed ancestors is too high to have accumulated in a lab, given the timeframe of several years. Furthermore, comparative analysis of S‐protein gene sequences suggests that the RBD of SARS‐CoV‐2 probably represents an ancestral non‐recombinant variant. These and other arguments significantly weaken the hypothesis of a laboratory origin for SARS‐CoV‐2, while the hypothesis of a natural origin is consistent with all available genetic and experimental data.
Facing biology's open questions
Authors: Gomez‐Marin Alex 
Published: March 2021

AbstractDespite the triumphant rhetoric of mechanistic materialism, current biology has no shortage of unsolved fundamental problems. In 1981, seeking a way forward, Rupert Sheldrake proposed the hypothesis of “formative causation” as a unifying organizing principle of life. Expanding the concept of morphogenetic fields, Sheldrake posited a spatio‐temporal connection termed “morphic resonance” whereby the more often a self‐organizing process takes place, the easier it will be for it to take place in the future. After initial acclaim, his project was quickly met with dogmatic skepticism, dismissed as scientific heresy, and ultimately ignored. Forty years later, the experimental implications of his ideas remain largely untested. Visionary or not, Sheldrake's case illustrates the conceptual resistance of the scientific enterprise to revise its own deepest theoretical commitments. Beyond career‐building selection pressures, young researchers need to be presented with the major questions in their field and encouraged to entertain radically alternative points of view. Science is what scientists make of it.
Confident identification of subgroups from SNP testing in RCTs with binary outcomes
Authors: Wei Yue , Wang Xinjun , Chew Emily Y. , Ding Ying 
Published: March 2021

AbstractIn modern drug development, genotype information becomes more frequently collected in randomized controlled trials (RCTs) for individualized risk prediction and personalized medicine development. Finding single nucleotide polymorphisms (SNPs) that are predictive of differential treatment efficacy, measured by a clinical outcome, is fundamentally different and more challenging than the traditional association test for a quantitative trait. With the objective to confidently identify and infer genetic subgroups with enhanced treatment efficacy from a large RCT for an eye disease, age‐related macular degeneration (AMD), where the clinical endpoint is binary (progressed or not), we propose a novel SNP‐testing procedure for binary clinical outcomes. Specifically, we formulate four contrasts to simultaneously assess all possible genetic effects on a logic‐respecting efficacy measure, the relative risk (between treatment and control). Our method controls both within‐ and across‐SNP multiplicity rigorously. We then use real genotype data to perform chromosome‐wide simulations to evaluate our method performance and to provide practical recommendations. Finally, we apply the proposed method to perform a genome‐wide SNP testing for the AMD trial and successfully identify multiple gene regions with genetic subgroups exhibiting enhanced efficacy in terms of decreasing the AMD progression rate.
Hyperosmolality in CHO culture: Effects on cellular behavior and morphology
Authors: Romanova Nadiya , Niemann Tarek , Greiner Johannes F. W. , Kaltschmidt Barbara , Kaltschmidt Christian , Noll Thomas 
Published: March 2021

AbstractExposure of Chinese hamster ovary cells (CHO) to highly concentrated feed solution during fed‐batch cultivation is known to result in an unphysiological osmolality increase (>300 mOsm/kg), affecting cell physiology and morphology. Extending previous observation on osmotic adaptation, the present study investigates for the first time potential effects of hyperosmolality on CHO cells on both population and single‐cell level. We intentionally exposed CHO cells to hyperosmolality of up to 545 mOsm/kg during fed‐batch cultivation. In concordance with existing research data, hyperosmolality‐exposed CHO cells showed a nearly triplicated volume accompanied by ablation of proliferation. On the molecular level, we observed a strong hyperosmolality‐dependent increase in mitochondrial activity in CHO cells compared to control. In contrast to mitochondrial activity, hyperosmolality‐dependent proliferation arrest of CHO cells was not accompanied by DNA accumulation or caspase‐3/7‐mediated apoptosis. Notably, we demonstrate for the first time a formation of up to eight multiple, small nuclei in single hyperosmolality‐stressed CHO cells. The here presented observations reveal previously unknown hyperosmolality‐dependent morphological changes in CHO cells and support existing data on the osmotic response in mammalian cells.
A mobile technology‐based cooperative learning platform for undergraduate biology courses in common college classrooms
Authors: Zhou Chun , Lewis Matthew 
Published: March 2021

AbstractAs a high‐impact educational practice, cooperative learning uses a structured group study to promote students' active learning. Currently, it lacks economical yet effective tools to facilitate the interactive nature of structured cooperative learning in regular classrooms. Here, we have established a mobile technology‐based cooperative learning (MBCL) platform that comprises the 2018 iPad, Apple Pencil, LiveBoard, Google Forms, and Google Drive. We tested the MBCL platform in multiple undergraduate biology courses. During semester‐long MBCL studies, the students engaged in cooperative learning to discuss a real‐life issue or chapter‐based contents. With the MBCL platform, the students' group study processes were shown on shared, visible electronic whiteboards that were updated in real‐time, generating visible thinking and instant, interactive communication. The instructor was able to guide the students promptly to conduct knowledge integration and knowledge synthesis using tables and diagrams. The deep learning outcome was evident in the examples and quantitative analyses of students' whiteboard study results and team presentations. Thus, integrating innovative mobile technologies into high‐impact teaching practices, exemplified by the MBCL platform, promotes deep learning in higher education.
The Arctic Environmental Responsibility Index: A method to rank heterogenous extractive industry companies for governance purposes
Authors: Overland Indra , Bourmistrov Anatoli , Dale Brigt , Irlbacher‐Fox Stephanie , Juraev Javlon , Podgaiskii Eduard , Stammler Florian , Tsani Stella , Vakulchuk Roman , Wilson Emma C. 
Published: March 2021

AbstractThe Arctic Environmental Responsibility Index (AERI) covers 120 oil, gas, and mining companies involved in resource extraction north of the Arctic Circle in Alaska, Canada, Greenland, Finland, Norway, Russia, and Sweden. It is based on an international expert perception survey among 173 members of the International Panel on Arctic Environmental Responsibility (IPAER), whose input is processed using segmented string relative ranking (SSRR) methodology. Equinor, Total, Aker BP, ConocoPhillips, and BP are seen as the most environmentally responsible companies, whereas Dalmorneftegeophysica, Zarubejneft, ERIELL, First Ore‐Mining Company, and Stroygaz Consulting are seen as the least environmentally responsible. Companies operating in Alaska have the highest average rank, whereas those operating in Russia have the lowest average rank. Larger companies tend to rank higher than smaller companies, state‐controlled companies rank higher than privately controlled companies, and oil and gas companies higher than mining companies. The creation of AERI demonstrates that SSRR is a low‐cost way to overcome the challenge of indexing environmental performance and contributing to environmental governance across disparate industrial sectors and states with divergent environmental standards and legal and political systems.
MET transcriptional regulator/serine peptidase inhibitor kunitz type 1 panel operating through HGF/c‐MET axis as a prognostic signature in pan‐cancer
Authors: Xiang Yi , Liang Bishan , Jiang Yu , Sun Fei , Zhao Yang , Wu Qijing , Hu Xingbin , Liu Yajing , Huang Qiong , Liao Wangjun , Yao Zhiqi , Li Shaowei , Shi Min 
Published: March 2021

AbstractDysregulations in transcription factors (TFs) and their genetic products play important roles in tumorigenesis, tumor progression and metastasis. However, prognostic value of the transcriptional regulatory networks in different cancers has not been investigated in depth. The purpose of our study was to identify and validate a potential predictive signature that combines TFs and their regulatory products in eight solid tumors. We used bioinformatics analysis to identify MET Transcriptional Regulator (MACC1) and Serine Peptidase Inhibitor Kunitz Type 1 (SPINT1) as candidate TFs with the respective downstream regulatory proteins for patient prognosis in pan‐cancer. Subsequent molecular analysis of clinical gastric cancer tissue samples further verified the negative correlation between MACC1 and SPINT1. Further, we showed that mechanistically, MACC1/SPINT1 mediated the pro‐HGF proteolysis and c‐Met phosphorylation in HGF/c‐MET signaling pathway. Kaplan‐Meier plots and receiver operating characteristics analysis revealed that the two‐gene signature combining MACC1 with SPINT1 was effective in predicting survival in all eight cancer cohorts tested. In conclusion, our study clarified the regulatory relationship between MACC1 and SPINT1 in the context of the HGF/c‐MET signaling pathway and determined MACC1/SPINT1 panel as a valuable signature for the prediction of prognosis in patients for multiple solid cancer types.
Operational Strategies to Improve the Performance and Long‐Term Cyclability of Intermediate Temperature Sodium‐Sulfur Batteries
Authors: Kandhasamy Sathiyaraj , Nikiforidis Georgios , Jongerden Gert Jan , Jongerden Ferdy , van de Sanden Mauritius C. M. , Tsampas Mihalis N. 
Published: March 2021

AbstractBased on the preliminary investigation of the intermediate temperature sodium‐sulfur (IT‐NaS) battery (150 °C), herein we advance this energy storage system, by retuning the catholyte formulation; namely i) concentration, ii) layer thickness, and iii) cut‐off limits during galvanostatic charge‐discharge cycling, lowering the operating temperature and improving cell design. The systematic implementation of these strategies boosted the cell performance significantly, delivering 112 mAh/g‐sulfur, 90 % of its theoretical specific capacity (125 mAh/g‐sulfur), and 50 deep reversible charge‐discharge cycles with coulombic and round‐trip energy efficiencies of 97±3 % and 73±4 %, respectively. Along with the stability and improvement of cycle life, this study demonstrates, for the first time, the practicality of the tubular IT‐NaS technology at a temperature as low as 125 °C.
Electrochemical Tri‐ and Difluoromethylation‐Triggered Cyclization Accompanied by the Oxidative Cleavage of Indole Derivatives
Authors: Yuan Xin , Cui Yu‐Sheng , Zhang Xin‐Peng , Qin Long‐Zhou , Sun Qi , Duan Xiu , Chen Lin , Li Guigen , Qiu Jiang‐Kai , Guo Kai 
Published: March 2021

AbstractConsidering their unique roles in organic synthesis, and pharmaceutical and agrochemical applications, the development of fluoroalkylation, cyclization, and indole oxidative cleavage are important topics. Herein, an unprecedented electrochemical tri‐ and difluoromethylation/cyclization/indole oxidative cleavage process occurring in an undivided cell is presented. The protocol employs a readily prepared Langlois reagent as the fluoroalkyl source, affording a series of tri‐ or difluoromethylated 2‐(2‐acetylphenyl)isoquinoline‐1,3‐diones in good yields with excellent stereoselectivity. It is worth noting that this new methodology merges the fluoroalkylation/cyclization of N‐substituted acrylamide alkenes with the oxidative cleavage of an indole C(2)=C(3) bond under external oxidant‐free conditions.
Diastereo‐ and Enantioselective Mannich/Cyclization Cascade Reaction Access to Chiral Benzothiazolopyrimidine Derivatives
Authors: Zhang Yan , Yang Jia‐Hui , Xia Ying‐Qi , Dong Lin , Chen Fen‐Er 
Published: March 2021

AbstractAn efficient asymmetric Mannich/cyclization cascade strategy was established from 2‐benzothiazolimines with N‐acylpyrazoles to provide optical active benzothiazolopyrimidine derivatives using a copper‐based complex. The mild cascade process constructed various structurally diverse products with broad scope of substrates together with excellent enantioselectivities (up to 99 % ee) and diastereoselectivities (up to 99:1 d.r.).
An efficient numerical model for nonisothermal fluid flow through porous media
Authors: Dastkhan Yaghoub , Kazemi Alireza 
Published: March 2021

AbstractTemperature transient analysis has gained increasing attention in recent years due to the widespread application of downhole temperature sensors with high resolution and accuracy. With the fast, high resolution, and accurate temperature sensors in oil and gas wells, there is a need for the models and methods for analysis of transient temperature data in order to identify production and well completion problems and calculation of reservoir properties. Although there are many proposed analytical and numerical models, a majority of models are not applicable in practice due to limitations in basic assumptions and computational time. A procedure is proposed for numerical simulation of transient variations of sandface pressure and temperature. The fluid flow and energy equations are decoupled and solved simultaneously and the dependency of all properties on pressure and temperature is treated by nested iteration loops. The solution was compared with some analytical and numerical methods and was found as a computationally efficient calculation method. The benefit of the proposed method is its versatility, simplicity, speed, and ease of implementation in a programming language which can be used in conjunction with well test analysis models to correct for the effect of temperature and also constrain the uncertainty of reservoir parameters. It can also be embedded in compositional and reactive models to widen their applicability and accuracy.
Real‐time dynamic energy efficiency evaluation and analysis of industrial processes based on multi‐objective state transition algorithm with reference vector
Authors: Wang Yalin , Li Ling , Wu Dongzhe , Yuan Xiaofeng 
Published: March 2021

AbstractAs one of the main costs of industrial processes, energy consumption is an essential issue that cannot be ignored in the sustainable development of enterprises. Effective energy efficiency evaluation is important, but also challenging. The conventional method typically uses statistic standard for evaluation. However, infected by the market, the raw materials of an industrial process often fluctuate, which will affect the evaluation standard of energy efficiency. Taking this into account will improve the evaluation performance. To this end, a real‐time dynamic energy efficiency evaluation and analysis method based on multi‐objective state transition algorithm with reference vector (RV‐MOSTA) is proposed to address the energy efficiency evaluation problem. The core of the paper is to realize the dynamic energy efficiency evaluation of multiple indicators considering inlet conditions of industrial processes. Therefore, a systematic set of special indicators are firstly developed for the energy efficiency evaluation. Then, RV‐MOSTA is proposed to determine the evaluation standard, which considers the influence of imported inlet conditions and the optimization of multiple evaluation indicators. Furthermore, a degeneration diagnosis method by means of linear discriminant analysis (LDA) can identify the key variables that lead to energy efficiency degeneration. The proposed method is verified through numerical example and an industrial hydrocracking process.
Predictive value of the atherogenic index of plasma for chronic total occlusion before coronary angiography
Authors: Liu Tong , Liu Jinghua , Wu Zheng , Lv Yun , Li Wenzheng 
Published: March 2021

AbstractBackgroundThe atherogenic index of plasma (AIP) is calculated by logarithmic transformation of the ratio of triglyceride (TG) and high‐density lipoprotein cholesterol (HDL‐C) concentrations. Although previous studies have demonstrated that the AIP is associated with coronary artery disease, its association with chronic total occlusion (CTO) requires elucidation.HypothesisWe hypothesized that the AIP would have diagnostic value in cases of CTO and could be used to predict adverse events.MethodsThis study involved 1131 inpatients who underwent coronary angiography. Data on demographic and clinical characteristics, coronary artery stenosis rated by the Gensini score, and clinical assessment by the Global Registry of Acute Coronary Events and thrombolysis in myocardial infarction (TIMI) scores were collected by cardiovascular doctors. Serum AIP values were evaluated by logarithmic transformation of the ratio of TG and HDL‐C concentrations. The correlations of AIP values with clinical parameters were assessed, and receiver‐operating characteristic curves were constructed for CTO diagnosis.ResultsOverall, 1131 inpatients were assigned to the CTO (n = 398) and control (n = 733) groups. Compared with the control group, the CTO group showed a significantly higher AIP (p < .05). The AIP was positively correlated with body mass index, the TIMI score, the Gensini score, and stent length and was effective for the diagnosis and risk assessment of patients with CTO. Multivariate logistic regression analyses revealed that the AIP was an independent risk factor for CTO. The findings suggest that the AIP could predict the presence of CTO and disease severity.
Piperazine, a Key Substructure for Antidepressants: Its Role in Developments and Structure‐Activity Relationships
Authors: Kumar Ravi Ranjan , Sahu Bhaskar , Pathania Shelly , Singh Pankaj Kumar , Akhtar M. Jawaid , Kumar Bhupinder 
Published: March 2021

AbstractDepression is the single largest contributor to global disability with a huge economic and social burden on the world. There are a number of antidepressant drugs on the market, but treatment‐resistant depression and relapse of depression in a large number of patients have increased problems for clinicians. One peculiarity observed in most of the marketed antidepressants is the presence of a piperazine substructure. Although piperazine is also used in the optimization of other pharmacological agents, it is almost extensively used for the development of novel antidepressants. One common understanding is that this is due to its favorable CNS pharmacokinetic profile; however, in the case of antidepressants, piperazine plays a much bigger role and is involved in specific binding conformations of these agents. Therefore, in this review, a critical analysis of the significance of the piperazine moiety in the development of antidepressants has been performed. An overview of current developments in the designing and synthesis of piperazine‐based antidepressants (2015 onwards) along with SAR studies is also provided. The various piperazine‐based therapeutic agents in early‐ or late‐phase human testing for depression are also discussed. The preclinical compounds discussed in this review will help researchers understand how piperazine actually influences the design and development of novel antidepressant compounds. The SAR studies discussed will provide crucial clues about the structural features and optimizations required to enhance the efficacy and potency of piperazine‐based antidepressants.