bluuebunny/crossref_metadata_2025_split huggingface dataset:
Engineering redox sensors into CHO cells enables near‐real‐time quantification of intracellular redox in bioprocesses
Authors: McFarland Kevin S. , Zhu Jie , Sinharoy Pritam , Betenbaugh Michael J. , Handlogten Michael W. 
Published: February 2022

AbstractThe production of biologics that treat complex diseases, such as cancer, autoimmune, and infectious disease, requires careful monitoring and control of cell cultures. While bioprocess optimizations have dramatically improved production yields, a lack of analytical tools has made it challenging to identify accompanying intracellular improvements. Intracellular redox can diminish the growth and productivity of biologics‐producing cells and adversely impact product quality profiles yet characterizing redox is challenging due to its complex and highly transient nature. In this study, we integrated a fluorescent thiol‐based redox biosensor to monitor intracellular redox in one bisAb‐ and two monoclonal antibody‐producing clonal cell lines in a 14‐day fed‐batch bioreactor. We characterized biosensor functionality using three fluorescence measurement techniques and determined sensor oxidation correlates with the intracellular ratio of reduced (GSH) and oxidized glutathione (GSSG), an important cellular antioxidant. Our fed‐batch bioreactor studies showed that sensor expression minimally affected bioprocess outcomes, including growth, productivity, product quality attributes, or intracellular redox attributes, including mitochondrial reactive oxygen species and total cellular GSH levels in all cell lines tested. Biosensor measurements taken throughout the culture revealed that the intracellular environment in these cell lines became more reduced throughout the culture, with the exception of a high pH condition which became more oxidized. Our results demonstrate the potential of using biosensors to monitor intracellular changes in near‐real‐time with minimal process effects, thus potentially improving future bioprocess optimizations.
Development and validation of a nomogram for predicting the prognosis in cancer patients with sepsis
Authors: Yang Yong , Dong Jun , Li Yang , Chen Renxiong , Tian Xiuyun , Wang Hongzhi , Hao Chunyi 
Published: February 2022

AbstractBackgroundTo develop a multiparameter‐based, easy‐to‐use nomogram and to predict the prognosis of cancer patients with sepsis in the intensive care unit (ICU).MethodsClinical data on cancer patients with sepsis who met the definition of sepsis 3.0 admitted to the ICU from January 2016 to October 2021 were collected. All patients were randomly entered into the development cohort or validation cohort according to the ratio of 7:3. Patients in the development cohort were divided into the survivors and the nonsurvivors according to the outcome of 28 days in ICU. The independent risk factors of mortality due to sepsis were screened out from the two groups (the survivors and the nonsurvivors) in the development cohort through multivariate logistic regression analysis. A nomogram was established with these independent risk factors, and the calibration plot was subsequently evaluated. Finally, the predictive power of the nomogram was verified in the validation cohort.ResultsA total of 317 cancer patients with sepsis who met the requirements were enrolled in this study, of which 229 entered into the development cohort and 88 entered into the validation cohort. The 28‐day mortality rates of the two cohorts were 17.5% and 20.5%, respectively. The neutrophil‐to‐lymphocyte ratio (NLR) on day 3 (d3), brain natriuretic peptide (BNP) d3, fluid accumulation at 72 hours (h), and Sequential Organ Failure Assessment (SOFA) score were independent risk factors for the 28‐day mortality between the survivors and the nonsurvivors in the development cohort. A nomogram was established on the above variables. The calibration plots fit well with the nomogram and had good statistical consistency in predicting the 28‐day mortality of sepsis (the C value was 0.938 and 0.968 in the two cohorts, respectively). With a nomogram score of 83.8 points, the diagnostic accuracy was 90.8% vs 92.0%, the sensitivity was 72.5% vs 77.7%, the specificity was 94.7% vs 95.7%, the positive predictive value was 72.3% vs 82.4%, and the negative predictive value was 94.2% vs 94.4% for predicting the 28‐day mortality in the development cohort and the validation cohort, respectively.ConclusionThis easy‐to‐use nomogram based on NLR d3, BNP d3, and fluid accumulation at 72 h and SOFA score provides an accurate 28‐day prognosis prediction for cancer patients with sepsis admitted to the ICU.
Piperine, Reserpine and β‐Sitosterol Attenuate Stem Rot (Sclerotium rolfsii Sacc.) of Groundnut by Inducing the Secretion of defense Enzymes and Phenolic Acids
Authors: Lakshmi Nikhitha , Basha Shaik Ameer , Paramita Pal Pragya , Begum Ahil Sajeli , Vittal Ramya , Naik Saida , Devi Gali Uma , Sagar Bokka Vidya 
Published: February 2022

AbstractGroundnut stem rot caused by Sclerotium rolfsii is a major constraint as it affects the productivity. Although managing this disease using synthetic fungicides is a more feasible method, environmental pollution and side effects caused by them demand some safe fungicides. Seven phytochemicals piperine, quercetin, reserpine, atropine sulfate, β‐sitosterol, ethyl protocatechuate and salicylic acid were initially tested against S. rolfsii under in vitro methods. All the compounds exhibited significant effects on mycelial inhibition (except atropine sulfate), sclerotial development, ooze formation, maturity, sclerotial number and germination of S. rolfsii. The more active compounds, piperine, reserpine and β‐sitosterol were then evaluated under glasshouse condition by adopting various application methods (seed treatment, foliar application and micro‐injection at 2000 μg/mL) on groundnut plants challenged with and without S. rolfsii. All the treatments effectively reduced the plant mortality when tested every 15 days of infection with S. rolfsii. However, the magnitude of reduction varied among the treatments, with the mortality ranging between 9.37 % and 29.68 % compared to the control (40.68 %). The piperine‐microinjected plants recorded minimum mortality (3.12 %). The defense enzymes (PAL and PPO) and key end products such as phenolics (total and individual) were determined in the leaf samples collected after 24, 48 and 72 h of infection with S. rolfsii to understand the systemic resistance induction effect. An increase in PAL and PPO activity was observed in all the samples. While microinjection of β‐sitosterol caused a maximum PAL induction, piperine caused a maximum PPO activity. Further, samples of piperine treated group showed higher induction of phenolic acids (86.46 μg g−1 micro‐injection) compared to β‐sitosterol and reserpine groups in all the methods. When the samples were analysed (HPLC) for individual phenolic acids, maximum accumulation of various acids was observed in the samples collected after 48 h. Tannic and gallic acids were found to be accumulated in higher quantities in most of the samples. The maximum accumulation of phenolic acids was found in micro‐injected samples. These results verified the reduction of mortality through the induction of defensive chemicals by the action of phytochemicals. Thus, the study recommends the use of these natural molecules for the integrated management of stem rot of groundnut after necessary field trials.
Rational Design of Self‐Assembling Artificial Proteins Utilizing a Micelle‐Assisted Protein Labeling Technology (MAPLabTech): Testing the Scope**
Authors: Reddy Mullapudi Mohan , Bhandari Pavankumar , Hati Kshitish Chandra , Sandanaraj Britto S. 
Published: February 2022

AbstractSelf‐assembling artificial proteins (SAPs) have gained enormous interest in recent years due to their applications in different fields. Synthesis of well‐defined monodisperse SAPs is accomplished predominantly through genetic methods. However, the last decade has witnessed the use of a few chemical technologies for this purpose. In particular, micelle‐assisted protein labeling technology (MAPLabTech) has made huge progress in this area. The first generation MAPLabTech focused on site‐specific labeling of the active‐site residue of serine proteases to make SAPs. Further, this methodology was exploited for labeling of N‐terminal residue of a globular protein to make functional SAPs. In this study, we describe the synthesis of novel SAPs by developing a chemical method for site‐specific labeling of a surface‐exposed cysteine residue of globular proteins. In addition, we disclose the synthesis of redox‐sensitive SAPs and their systematic self‐assembly and disassembly studies using size‐exclusion chromatography. Altogether these studies further expand the scope of MAPLabTech in different fields such as vaccine design, targeted drug delivery, diagnostic imaging, biomaterials, and tissue engineering.
Five‐year trends in cause‐specific readmissions and cost burden of mitral transcatheter edge‐to‐edge repair
Authors: Fabry Nicholas , Hendrickson Michael J. , Arora Sameer , Vavalle John P. 
Published: February 2022

AbstractObjectivesThe study aimed to evaluate cost trends associated with mitral valve transcatheter edge‐to‐edge repair (TEER).BackgroundTEER is a treatment option for patients at prohibitive surgical risk with moderate to severe mitral valve regurgitation and NYHA class III or IV symptoms. The 30‐day costs and causes of readmission following TEER have not been well studied.MethodsPatients undergoing mitral TEER in the United States from 2014 to 2018 were identified in the Nationwide Readmission Database. Patient characteristics, cause‐specific readmission, and costs of the index hospitalization and readmissions were analyzed. Costs were trended over years using general linear regression.ResultsA total of 10,196 patients underwent mitral TEER during the study period. Thirty‐day readmissions were stable over time at around 16%. The mean length of stay following TEER decreased from 7 days in 2014 to 5 days in 2018. There was a significant decline in the cost of the index hospitalization of $1311 per year, and a significant decline in the total 30‐day cost of $1588 per year (p < 0.001). This was strictly due to a reduction in the cost of the index hospitalization without a change in readmission costs over time (p = 0.23). Infectious causes of readmissions significantly decreased while total cardiovascular readmissions, including heart failure, remained constant.ConclusionThe decreasing 30‐day cost burden of TEER is primarily driven by the shorter index length of stay, as experience in TEER has grown and, length of stay has declined. However, cardiovascular readmissions, and consequently readmission costs, have remained steady.
Timing of mechanical circulatory support during primary angioplasty in acute myocardial infarction and cardiogenic shock: Systematic review and meta‐analysis
Authors: Archilletti Federico , Giuliani Livio , Dangas George D. , Ricci Fabrizio , Benedetto Umberto , Radico Francesco , Gallina Sabina , Rossi Serena , Maddestra Nicola , Zimarino Marco 
Published: February 2022

AbstractObjectivesWe aim to define whether the timing of microaxial left ventricular assist device (IMLVAD) implantation might impact on mortality in acute myocardial infarction (AMI) cardiogenic shock (CS) patients who underwent primary percutaneous coronary intervention (PPCI).BackgroundDespite the widespread use of PPCI, mortality in patients with AMI and CS remains high. Mechanical circulatory support is a promising bridge to recovery strategy, but evidence on its benefit is still inconclusive and the optimal timing of its utilization remains poorly explored.MethodsWe compared clinical outcomes of upstream IMLVAD use before PPCI versus bailout use after PPCI in patients with AMI CS. A systematic review and meta‐analysis of studies comparing the two strategies were performed. Effect size was reported as odds ratio (OR) using bailout as reference group and a random effect model was used. Study‐level risk estimates were pooled through the generic inverse variance method (random effect model).ResultsA total of 11 observational studies were identified, including a pooled population of 6759 AMI‐CS patients. Compared with a bailout approach, upstream IMLVAD was associated with significant reduction of 30‐day (OR = 0.65; 95% confidence interval [CI] = 0.51–0.82; I2 = 43%, adjusted OR = 0.54; 95% CI = 0.37–0.59; I2 = 3%, test for subgroup difference p = 0.30), 6‐month (OR = 0.51; 95% CI = 0.27–0.96; I2 = 66%), and 1‐year (OR = 0.56; 95% CI = 0.39–0.79; I2 = 0%) all‐cause mortality. Incidence of access‐related bleeding, acute limb ischemia and transfusion outcomes were similar between the two strategies.ConclusionIn patients with AMI‐CS undergoing PPCI, upstream IMLVAD was associated with reduced early and midterm all‐cause mortality when compared with a bailout strategy.
A microchemical analysis of acid values in stored wheat
Authors: Li Ping , Yang Wei , Cong Fangdi , Zhang Ailin , Zhang Shulin , Wang Yingchao , Su Yongpeng , Liu Daying , Liu Haixue , Li Tao 
Published: February 2022

AbstractBackground and ObjectivesQuantifying the acid value of stored wheat is of great significance for timely treatment and avoiding waste. For the low‐fat content in wheat, the aim of this study is to propose a microchemical way for the acid value analysis.FindingsTwenty‐four wheat samples are taken from the grain reserve depot and the acid values of them are analyzed by the spectral response of one phthalocyanine dye, tetra‐α‐octoxy substituted zinc phthalocyanine, to a fatty acid. Under the experimental conditions, a linear relation exists between the absorbance of this dye at 749 nm (A749 nm) and the concentration logarithm (lncb) of fatty acid (palmitic acid) in chloroform, R2 = 1.000.ConclusionsBy the aforesaid linearity, 1 µl of extracted wheat oil is enough to determine the acid values of wheat samples, which can avoid the interference from the color of the sample in traditional titration.Significance and NoveltyThe UV‐visible method has great potential in the actual analysis of the acid value of wheat samples and has important reference value for the analysis of other related agricultural products, food and drugs, and so on.
The role of situational affect in students’ academic major satisfaction
Authors: Lehman Alison N. , Nauta Margaret M. 
Published: February 2022

AbstractWe used survey data to examine the association of situational affect with academic major satisfaction among 386 college students. Positive and negative affect experienced in classes related to students’ majors were both significantly related to their major satisfaction, with positive affect having the stronger association. A hierarchical linear regression analysis revealed that positive and negative affect each had incremental validity over the other in the prediction of major satisfaction, and this held true even after controlling for students’ perceptions of fit with their majors. The association between positive affect and major satisfaction was moderated by year in school, with the association being strongest among first‐year students. Even when students perceive their majors to be a good fit, counselors and educators are advised to help them explore ways to maximize positive emotions and effectively manage negative emotions they experience in courses and activities related to their majors.
Career adaptability as a mediator between social capital and career engagement
Authors: Sou Elvo K. L. , Yuen Mantak , Chen Gaowei 
Published: February 2022

AbstractThe Chinese short form of Career Adapt‐Abilities Scale (CAAS‐SF) is a newly validated scale to measure career adaptability. The present study examined the psychometric properties of this measure and the role of career adaptability as a mediator between social capital and career engagement. Based on data obtained from a sample of 610 university students in Macao, it was found that the scale has good psychometric properties and is suitable for use among college students. In addition, results showed that social capital was moderately correlated with career engagement and the relationship was partially mediated by career adaptability. Implications for practice were discussed.
Mo2C‐Embedded Carbon Nanofibers as the Interlayer in High‐Performance Lithium‐Sulfur Batteries
Authors: Deng Tongtong , Sun Wang , Mao Yuqiong , Huang Jing , He Liuliu , Dou Xinyue , Bai Yu , Wang Zhenhua , Sun Kening 
Published: February 2022

AbstractLithium‐sulfur batteries (LSBs) are among the most encouraging competitors for the next‐generation energy storage system, nevertheless, the shuttle effect resulted from the soluble lithium polysulfides (LiPSs) and slow chemical kinetics hinder the pragmatic application of LSBs. To address those issues, herein, a uniform three‐dimensional (3D) structure constructing carbon nanofibers (CNF) with polar Mo2C nanoparticles (Mo2C@CNF) was designed and coated onto one side of pristine conventional polypropylene separator (Mo2C@CNF/PP). The Mo2C@CNF with high electrical conductivity not only chemically constrained the LiPSs by chemical trapping, but also catalyzed the conversion of LiPSs to Li2S2/Li2S. Cells with Mo2C@CNF/PP separator presented a high specific capacity of 732.9 mAh g−1; 500 mAh g−1 was kept, due to sluggish capacity decay (0.063 % per cycle), after 500 cycles. Judging from the outstanding electrochemical performance of batteries with the Mo2C@CNF/PP separator, the proposal is an enlightening strategy for the advancement high‐performance LSBs.
Robust S4⋅⋅⋅O Supramolecular Synthons: Structures of Radical‐Radical Cocrystals [p‐XC6F4CNSSN]2[TEMPO] (X=F, Cl, Br, I, CN)
Authors: Stephaniuk Nadia T. , Nascimento Mitchell A. , Nikoo Sahar , Heyer Elodie , Watanabe Lara K. , Rawson Jeremy M. 
Published: February 2022

AbstractCocrystallization of the dithiadiazolyl (DTDA) radicals p‐XC6F4CNSSN (X=F, Cl, Br, I, CN) with TEMPO afforded the 2 : 1 cocrystals [p‐XC6F4CNSSN]2[TEMPO] (1–5) whose structures all reflect a common S4⋅⋅⋅O supramolecular motif. The nature of this interaction was probed by DFT calculations (M06/aug‐cc‐pVDZ) on 1 which revealed that the enthalpy of formation of the [C6F5CNSSN]2[TEMPO] supramolecular motif from [C6F5CNSSN]2 and TEMPO is substantial (−54.0 kJ mol−1). Electronic structure calculations revealed a TEMPO‐based doublet S=
configuration as the ground state with limited spin density on the DTDA rings (2.4 %). The corresponding spin quartet state is +78.9 kJ mol−1 higher in energy. An atoms‐in‐molecules analysis reveals four bond critical points (BCPs) between the TEMPO O and the DTDA S atoms as well as additional BCPs between selected DTDA S atoms and methyl H atoms of the TEMPO molecule. Herein, the structures of 2–5 are considered within the context of a hierarchical view of competing and complementary intermolecular interactions; in particular, the established supramolecular CN⋅⋅⋅S−S synthon is sacrificed in order to form the new S4⋅⋅⋅O interaction.
Investigation of Molecular Iridium Fluorides IrFn (n=1–6): A Combined Matrix‐Isolation and Quantum‐Chemical Study
Authors: Lu Yan , Tsegaw Yetsedaw A. , Wodyński Artur , Li Lin , Beckers Helmut , Kaupp Martin , Riedel Sebastian 
Published: February 2022

AbstractThe photo‐initiated defluorination of iridium hexafluoride (IrF6) was investigated in neon and argon matrices at 6 K, and their photoproducts are characterized by IR and UV‐vis spectroscopies as well as quantum‐chemical calculations. The primary photoproducts obtained after irradiation with λ=365 nm are iridium pentafluoride (IrF5) and iridium trifluoride (IrF3), while longer irradiation of the same matrix with λ=278 nm produced iridium tetrafluoride (IrF4) and iridium difluoride (IrF2) by Ir−F bond cleavage or F2 elimination. In addition, IrF5 can be reversed to IrF6 by adding a F atom when exposed to blue‐light (λ=470 nm) irradiation. Laser irradiation (λ=266 nm) of IrF4 also generated IrF6, IrF5, IrF3 and IrF2. Alternatively, molecular binary iridium fluorides IrFn (n=1–6) were produced by co‐deposition of laser‐ablated iridium atoms with elemental fluorine in excess neon and argon matrices under cryogenic conditions. Computational studies up to scalar relativistic CCSD(T)/triple‐ζ level and two‐component quasirelativistic DFT computations including spin‐orbit coupling effects supported the formation of these products and provided detailed insights into their molecular structures by their characteristic Ir−F stretching bands. Compared to the Jahn‐Teller effect, the influence of spin‐orbit coupling dominates in IrF5, leading to a triplet ground state with C4v symmetry, which was spectroscopically detected in solid argon and neon matrices.
Synthesis of Cyclopropenes and Fluorinated Cyclopropanes via Michael Initiated Ring Closure of Alkyl Triflones
Authors: Wang Hui , Yang Ren‐Yin , Xu Bo 
Published: February 2022

AbstractA facile synthesis of cyclopropenes and fluorinated cyclopropanes from readily available alkyl triflones was developed. The reaction, regardless of electronic effect, gave products in good to excellent yields and moderate diastereoselectivity. The mechanism may involve tandem Michael addition of triflones/intramolecular nucleophilic cyclization (elimination of ‐SO2CF3)/elimination of fluoride.
Rational Design and Integrative Assembly of Heteromeric Metalla[2]Catenanes Featuring Cp*Ir/Rh Fragments
Authors: Liu Dong , Lu Ye , Lin Yue‐Jian , Jin Guo‐Xin 
Published: February 2022

AbstractWe report a design strategy for integrative assembly of heteromeric [2]catenanes. The design focuses on the shape and functional group match of two different metalla‐rectangles. A series of dipyridyl ligands with different lengths, widths and functional groups were designed and used for assembly experiments. Six heteromeric [2]catenanes were obtained both by direct mixture of two pre‐assembled metalla‐rectangles and one‐pot three‐component self‐assembly. Multiple analytic methods were employed to characterize the catenanes, including single crystal X‐ray diffraction analysis, NMR spectroscopy, mass spectroscopy and elemental analysis.
PRISMA: A Robust and Intuitive Tool for High‐Throughput Processing of Chemical Spectra**
Authors: Flores Eibar , Mozhzhukhina Nataliia , Li Xinyu , Norby Poul , Matic Aleksandar , Vegge Tejs 
Published: February 2022

AbstractHere we introduce PRISMA, an open‐source tool to rapidly analyse large numbers of spectra into meaningful spectroscopic trends. PRISMA follows a human‐in‐the‐loop workflow, where the user interacts with an intuitive graphical user interface to control multiple steps in the spectrum analysis process: trimming, baseline correction, and peak fitting. The tool outputs the results in an easy‐to‐read csv format within seconds. We describe the functionalities implemented in PRISMA and test its capabilities with three experimental cases relevant to the study of Electrochemical energy storage and conversion devices: a temperature‐dependent Raman measurement of phase transitions, a linear Raman mapping of a graphite composite electrode, and an operando X‐ray diffraction experiment of lithium nickel oxide composite battery electrode. The case studies demonstrate the robustness of the app and its ability to unearth insightful trends in peak parameters, which are easier to represent, interpret and further analyse with more advanced techniques.
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Authors: Chang Chia‐Yu , Dai Zhi‐Xuan , Shih Po‐Jen 
Published: February 2022

AbstractThe cover image is based on the Basic Research Modeling and simulation of cell migration on the basis of force equilibrium by Chia‐Yu Chang, Zhi‐Xuan Dai, and Po‐Jen Shih., https://doi.org/10.1002/cnm.3550.

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