bluuebunny/crossref_metadata_2025_split huggingface dataset:
A method to apply Zavitsas' aqueous electrolyte model to multicomponent solutions and its equivalence to Zdanovskii's rule
Authors: Reynolds Jacob G. 
Published: October 2021

AbstractZavitsas developed an aqueous electrolyte thermodynamic model and applied it to single electrolyte solutions previously. Here, a method to apply the model to multicomponent solutions is derived by setting the water activity to the mole fraction of free water in the mixture. The method is shown to work effectively for the CsBr‐KNO3‐H2O and CsCl‐KNO3‐H2O systems at 100.3°C even at concentrations greater than 6 molal. The largest error in the prediction of water activities was just −0.00365 for the CsBr‐KNO3‐H2O system and −0.00631 for the CsCl‐KNO3‐H2O system. Zavitsas' model naturally obeys Zdanovskii's rule because when two electrolyte solutions with the same fraction of free water are mixed together, water is obviously going to have that same fraction in the mixture. This means that Zavitsas' model will likely work well for the many electrolytes that obey Zdanovskii's rule.
Fe‐catalyzed Dehydrogenative C−S Bond Formation for Access to 3‐Alkyl‐2‐(N‐aroyl)imino‐benzo[d]thiazolines
Authors: Yang Jun , Yu Miao , Jiang Liqin 
Published: October 2021

AbstractAn iron‐catalyzed intramolecular dehydrogenative C−S bond formation from 1‐aryl‐1‐alkyl‐3‐aroyl thioureas via FeCl3 as catalyst, Na2CO3 as base, and Na2S2O8 as oxidant has been developed. A variety of 3‐alkyl‐2‐(N‐aroyl)imino‐benzo[d]thiazolines are obtained in moderate to excellent yields with excellent chemoselectivity in an atom‐economic fashion. In addition, 1‐aryl‐1‐alkyl‐3‐aroyl thioureas have been synthesized from N‐aryl‐N‐alkyl thiocarbamoyl fluorides (sufur form S8) with aromatic amides under NaOH in moderate to good yields.
Synthesis of Cinnolines via Rh(III)‐Catalyzed Annulation of N‐Aryl Heterocycles with Vinylene Carbonate
Authors: Kim Suho , Choi Su Bin , Kang Ju Young , An Won , Lee Suk Hun , Oh Harin , Ghosh Prithwish , Mishra Neeraj Kumar , Kim In Su 
Published: October 2021

AbstractThe Rh(III)‐catalyzed C−H annulation reactions of N‐aryl indazolones or N‐aryl phthalazinones with a vinylene carbonate is described herein. This transformation provides the rapid access to indazolocinnolines and phthalazinocinnolines as important assets towards the development of novel bioactive compounds. Intriguingly, a vinylene carbonate acts as a vinyl transfer agent to enable the [4+2] annulation reaction. This method is characterized by its simplicity, mild reaction conditions, and broad functional group tolerance.
Electrophilic Fluorination of Alkenes via Bora‐Wagner–Meerwein Rearrangement. Access to β‐Difluoroalkyl Boronates
Authors: Wang Qiang , Biosca Maria , Himo Fahmi , Szabó Kálmán J. 
Published: October 2021

AbstractThe electrophilic fluorination of geminal alkyl substituted vinyl‐Bmida derivatives proceeds via bora‐Wagner–Meerwein rearrangement. According to DFT modelling studies this rearrangement occurs with a low activation barrier via a bora‐cyclopropane shaped TS. The Bmida group has a larger migration aptitude than the alkyl moiety in the Wagner–Meerwein rearrangement of the presented electrophilic fluorination reactions.
Directed Regioselective Carbometallation of 1,2‐Dialkyl‐Substituted Cyclopropenes
Authors: Cohen Yair , Marek Ilan 
Published: October 2021

AbstractA regio‐ and diastereoselective copper‐catalyzed carbomagnesiation of 1,2‐dialkylated cyclopropenes is reported. The regioselectivity is controlled by a subtle tethered Lewis basic moiety. The chelating moieties allow the differentiation between two electronically tantamount organometallic intermediates. Further functionalization grants access to polysubstituted stereodefined cyclopropanes bearing up to five alkyl groups.
Catalytic Asymmetric Allylic Substitution with Copper(I) Homoenolates Generated from Cyclopropanols
Authors: Zhang Qi , Zhou Si‐Wei , Shi Chang‐Yun , Yin Liang 
Published: October 2021

AbstractBy using copper(I) homoenolates as nucleophiles, which are generated through the ring‐opening of 1‐substituted cyclopropane‐1‐ols, a catalytic asymmetric allylic substitution with allyl phosphates is achieved in high to excellent yields with high enantioselectivity. Both 1‐substituted cyclopropane‐1‐ols and allylic phosphates enjoy broad substrate scopes. Remarkably, various functional groups, such as ether, ester, tosylate, imide, alcohol, nitro, and carbamate are well tolerated. Moreover, the present method is nicely extended to the asymmetric construction of quaternary carbon centers. Some control experiments argue against a radical‐based reaction mechanism and a catalytic cycle based on a two‐electron process is proposed. Finally, the synthetic utilities of the product are showcased by means of the transformations of the terminal olefin group and the ketone group.
Chemical Synthesis and Semisynthesis of Lipidated Proteins
Authors: Hanna Cameron C. , Kriegesmann Julia , Dowman Luke J. , Becker Christian F. W. , Payne Richard J. 
Published: October 2021

AbstractLipidation is a ubiquitous modification of peptides and proteins that can occur either co‐ or post‐translationally. An array of different lipid classes can adorn proteins and has been shown to influence a number of crucial biological activities, including the regulation of signaling, cell–cell adhesion events, and the anchoring of proteins to lipid rafts and phospholipid membranes. Whereas nature employs a range of enzymes to install lipid modifications onto proteins, the use of these for the chemoenzymatic generation of lipidated proteins is often inefficient or impractical. An alternative is to harness the power of modern synthetic and semisynthetic technologies to access lipid‐modified proteins in a pure and homogeneously modified form. This Review aims to highlight significant advances in the development of lipidation and ligation chemistry and their implementation in the synthesis and semisynthesis of homogeneous lipidated proteins that have enabled the influence of these modifications on protein structure and function to be uncovered.
Structure colorants based on cross‐linked cholesteric liquid crystalline polymeric slices
Authors: Liu Chun‐Yen , Chen Cheng‐Chieh , Tu Chia‐Ming , Hung Sheng‐Chi , Chao Chia‐Hui 
Published: October 2021

AbstractIn daily life, we usually make materials with certain colors via dyes or pigments. However, there is a methodology for making specific nanostructures that reflect light under certain wavelengths, and this is considered structural color. In this study, we demonstrate novel sliced polymeric films exhibiting reflected purple, blue, cyan, and red colors via Bragg reflection. The pitch of the cholesteric liquid crystal was changed by altering the ratio of chiral dopant inside the liquid crystal mixture. It was confirmed that the reflected colors remained stable and did not change as the size and thickness of the sliced films were decreased. Furthermore, colorful patterns were easily achieved by using CLC slices as colorants, and these were fixed with transparent glue for image production. Theoretically, nanosized structural colorants could be prepared via a femtosecond laser. It is anticipated that these sliced polymerized cholesteric liquid crystal films can be applied in the surface coating and painting industries.
Hedgehog lipids: Promotors of alternative morphogen release and signaling?
Authors: Manikowski Dominique , Ehring Kristina , Gude Fabian , Jakobs Petra , Froese Jurij , Grobe Kay 
Published: October 2021

AbstractTwo posttranslational lipid modifications present on all Hedgehog (Hh) morphogens—an N‐terminal palmitate and a C‐terminal cholesterol—are established and essential regulators of Hh biofunction. Yet, for several decades, the question of exactly how both lipids contribute to Hh signaling remained obscure. Recently, cryogenic electron microscopy revealed different modes by which one or both lipids may contribute directly to Hh binding and signaling to its receptor Patched1 (Ptc). Some of these modes demand that the established release factor Dispatched1 (Disp) extracts dual‐lipidated Hh from the cell surface, and that another known upstream signaling modulator called Scube2 chaperones the dual‐lipidated morphogen to Ptc. By mechanistically and biochemically aligning this concept with established in vivo and recent in vitro findings, this reflection identifies remaining questions in lipidated Hh transport and evaluates additional mechanisms of Disp‐ and Scube2‐regulated release of a second bioactive Hh fraction that has one or both lipids removed.
Kinetic and hybrid modeling for yeast astaxanthin production under uncertainty
Authors: Vega‐Ramon Fernando , Zhu Xianfeng , Savage Thomas R. , Petsagkourakis Panagiotis , Jing Keju , Zhang Dongda 
Published: October 2021

AbstractAstaxanthin is a high‐value compound commercially synthesized through Xanthophyllomyces dendrorhous fermentation. Using mixed sugars decomposed from biowastes for yeast fermentation provides a promising option to improve process sustainability. However, little effort has been made to investigate the effects of multiple sugars on X. dendrorhous biomass growth and astaxanthin production. Furthermore, the construction of a high‐fidelity model is challenging due to the system's variability, also known as batch‐to‐batch variation. Two innovations are proposed in this study to address these challenges. First, a kinetic model was developed to compare process kinetics between the single sugar (glucose) based and the mixed sugar (glucose and sucrose) based fermentation methods. Then, the kinetic model parameters were modeled themselves as Gaussian processes, a probabilistic machine learning technique, to improve the accuracy and robustness of model predictions. We conclude that although the presence of sucrose does not affect the biomass growth kinetics, it introduces a competitive inhibitory mechanism that enhances astaxanthin accumulation by inducing adverse environmental conditions such as osmotic gradients. Moreover, the hybrid model was able to greatly reduce model simulation error and was particularly robust to uncertainty propagation. This study suggests the advantage of mixed sugar‐based fermentation and provides a novel approach for bioprocess dynamic modeling.
Metabolic engineering of Escherichia coli for efficient osmotic stress‐free production of compatible solute hydroxyectoine
Authors: Ma Qian , Xia Li , Wu Heyun , Zhuo Mingyang , Yang Mengya , Zhang Ying , Tan Miao , Zhao Kexin , Sun Quanwei , Xu Qingyang , Chen Ning , Xie Xixian 
Published: October 2021

AbstractCompatible solutes are key for the ability of halophilic bacteria to resist high osmotic stress. They have received wide attention from researchers for their excellent osmotic protection properties. Hydroxyectoine is a particularly important compatible solute, but its production by microbes faces several challenges, including low titer/yield, the presence of the byproduct ectoine, and the requirement of high salinity. Here, we aimed to metabolically engineer Escherichia coli to efficiently produce hydroxyectoine in the absence of osmotic stress without accumulating the byproduct ectoine. First, combinatorial optimization of the expression strength of key genes in the ectoine synthesis module and hydroxyectoine synthesis module was conducted. After optimization of the expression of these genes, 12.12 g/L hydroxyectoine and 0.24 g/L ectoine were obtained at 36 h in shake‐flask fermentation with the addition of the co‐substrate α‐ketoglutarate. Further optimization of the addition of α‐ketoglutarate achieved the sole production of hydroxyectoine (i.e., no ectoine accumulation), indicating that the supply of α‐ketoglutarate is critically important for sole hydroxyectoine production. Finally, quorum sensing‐based auto‐regulation of intracellular α‐ketoglutarate pool was implemented as an alternative to α‐ketoglutarate addition by coupling the expression of sucA with the esaI/esaR circuit, which led to 14.93 g/L hydroxyectoine with a unit cell yield of 1.678 g/g and no ectoine accumulation in the absence of osmotic stress. This is the highest reported titer of sole hydroxyectoine production under salinity‐free fermentation to date.
Characteristic profiling of Aconiti Lateralis Radix for distinguishing it from compatible herbal pair using UPLC–Q‐TOF–MS coupled with chemometrics
Authors: You Guangjiao , Li Huanhuan , Zheng Fuxiang , Liu Yanan , Wang Meng , Sun Lili , Mou Jiajia , Ren Xiaoliang 
Published: October 2021

AbstractA method combining ultra‐high‐performance liquid chromatograph/quadrupole time‐of‐flight mass spectrometry (UPLC–Q‐TOF–MS) and chemometrics was established to evaluate the differences in chemical composition between Aconiti Lateralis Radix (Fuzi in Chinese) before and after combination with Glycyrrhizae Radix et Rhizoma (Gancao in Chinese). UPLC–Q‐TOF–MS was used to characterize the chemical components before and after the combination of Fuzi with Gancao, and genetic algorithm selection variables were applied to extract important variables. Partial least square discriminant analysis was used to verify the reliability of the variables obtained by genetic algorithm selection in differentiating Fuzi and combinations with Gancao, and nine potential chemical markers were obtained. The changes in content of chemical markers in Fuzi before and after combination were visualized using a heat map and hierarchical cluster analysis. Based on the chemical markers, characteristic profiling of UPLC–Q‐TOF–MS data was developed, then unsupervised principal components analysis and a supervised counter‐propagation artificial neural network were used to validate the characteristic profiling approach and showed that it performed well in differentiating between Fuzi and combinations with Gancao.
Effects of task complexity or rate of motor imagery on motor learning in healthy young adults
Authors: Heena Nargis , Zia Nayeem U. , Sehgal Stuti , Anwer Shahnawaz , Alghadir Ahmad , Li Heng 
Published: October 2021

AbstractBackgroundA growing body of evidence suggests the benefit of motor imagery in motor learning. While some studies tried to look at the effect of isolated mental practice, others evaluated the combined effect of motor imagery and physical practice in clinical rehabilitation. This study aimed to investigate the effects of task complexity or rates of motor imagery on motor learning in health young adults.MethodsEighty‐eight healthy individuals participated in this study. Participants were randomly allocated to either Group A (50% complex, N = 22), Group B (75% complex, N = 22), Group C (50% simple, N = 22), or Group D (75% simple, N = 22). Participants in the complex groups performed their task with nondominant hand and those in simple groups with a dominant hand. All participants performed a task that involved reach, grasp, and release tasks. The performance of the four groups was examined in the acquisition and retention phase. The main outcome measure was the movement time.ResultsThere were significant differences between immediate (i.e., acquisition) and late (i.e., retention) movement times at all three stages of task (i.e., MT1 [reaching time], MT2 [target transport time], and TMT [reaching time plus object transport time]) when individuals performed complex task with 75% imagery rate (p < .05). Similarly, there were significant differences between immediate and late movement times at all stages of task except the MT2 when individuals performed simple task with 75% imagery rate (p < .05). There were significant effects of task complexity (simple vs. complex tasks) on immediate movement time at the first stage of task (i.e., MT1) and late movement times of all three stages of task (p < .05). There were significant effects of the rate of imagery (50% vs. 75%) on late movement times at all three stages of tasks (p > .05). Additionally, there were no interaction effects of either task complexity or rate of imagery on both immediate and late movement times at all three stages of tasks (p > .05).ConclusionThis study supports the use of higher rates (75%) of motor imagery to improve motor learning. Additionally, the practice of a complex task demonstrated better motor learning in healthy young adults. Future longitudinal studies should validate these results in different patient's population such as stroke, spinal cord injury, and Parkinson's disease.
Possibility of brigatinib‐based therapy, or chemotherapy plus anti‐angiogenic treatment after resistance of osimertinib harboring EGFR T790M‐cis‐C797S mutations in lung adenocarcinoma patients
Authors: Yang Yaning , Xu Haiyan , Ma Li , Yang Lu , Yang Guangjian , Zhang Shuyang , Ai Xin , Zhang Shucai , Wang Yan 
Published: October 2021

AbstractBackgroundThere was no standard treatment for patients who acquired resistance to osimertinib mediated by epidermal growth factor receptor (EGFR) T790M‐cis‐C797S. The aim of this study was to investigate the association between different therapeutic strategies and survival outcomes among these patients.MethodsThis retrospective cohort study analyzed 46 patients with metastatic lung adenocarcinoma and EGFR T790M‐cis‐C797S after osimertinib progression from January 1, 2017 to October 31, 2020. Among them, 13 patients received brigatinib‐based therapy, 23 patients received chemotherapy in combination of anti‐angiogenics or not, and 10 patients received other targeted treatments like dacomtinib, bevacizumab, or a combined therapy of osimertinib and other targeted drugs.ResultsCompared to other targeted therapy, brigatinib‐based therapy (median progression‐free survival [mPFS]: 4.40 vs. 1.63 months, hazard ratio [HR] = 0.39, 95% confidence interval [CI]: 0.21–0.73, p = 0.001) and chemotherapy‐based treatment (mPFS: 4.70 vs. 1.63 months, HR = 0.18, 95% CI: 0.06–0.50, p < 0.001) presented a better survival outcome and there was no significant difference between brigatinib‐based therapy and chemotherapy‐based treatment (mPFS: 4.40 vs. 4.70 months, HR = 1.24, 95% CI: 0.57–2.67, p = 0.58). Chemotherapy combined with anti‐angiogenics achieved a better efficacy than only chemotherapy (mPFS: 5.50 vs. 1.03 months, HR = 0.30, 95% CI: 0.11–0.83, p = 0.02). Patients carrying EGFR exon 19 deletion mutation had a longer PFS than those who harboring EGFR exon 21 p.L858R mutation (4.57 vs. 1.03 months, HR = 0.18, 95% CI: 0.06–0.54, p = 0.001), no matter they received brigatinib‐based therapy (mPFS: 5.00 vs. 3.23 months, HR = 0.19, 95% CI: 0.01–0.96, p = 0.05) or chemotherapy‐based treatment (mPFS: 7.23 vs. 1.03 months, HR = 0.05, 95% CI 0.01–0.49, p < 0.001).ConclusionBrigatinib‐based therapy and chemotherapy plus anti‐angiogenics could be considered beyond progression from osimertinib therapy. For patients harboring EGFR exon 19 deletion/T790M/cis‐C797S mutation, the clinical efficacy was superior to patients harboring EGFR exon 21 p.L858R/T790M/cis‐C797S mutation.
UGSC‐GAN: User‐guided sketch colorization with deep convolution generative adversarial networks
Authors: Zhang Junsong , Zhu Shaoqiang , Liu Kunxiang , Liu Xiaoyu 
Published: October 2021

AbstractInspired by the creating process of human paintings, we propose a novel adversarial architecture for multiple sketch colorization which is a scribble‐based, automatic, and exemplar‐based colorization method. The proposed framework has two stages, namely, imitating stage and shading stage. In the imitating stage, to address the challenge of lack of texture in the sketch, we train a grayscale generation network to accomplish a mapping task, namely, generating a grayscale map with textured, grayscale, boundary information from the input sparse sketch. In the shading stage, the model can accurately colorize the objects in the gray image generated in the previous stage, and generate high‐quality colorized images. With the proposed model trained on our database, the experimental results show that our method can generate vivid colorized images and achieve a better performance than previous methods evaluated by FID metric.
Chemical Biology Toolbox to Visualize Protein Aggregation in Live Cells
Authors: Shen Di , Bai Yulong , Liu Yu 
Published: October 2021

AbstractProtein misfolding and aggregation is a complex biochemical process and has been associated with numerous human degenerative diseases. Developing novel chemical and biological tools and approaches to visualize aggregated proteins in live cells is in high demand for mechanistic studies, diagnostics, and therapeutics. In this review, we summarize the recent developments in the chemical biology toolbox applied to protein aggregation studies in live cells. These methods exploited fluorescent protein tags, fluorescent chemical tags, and small‐molecule probes to visualize the protein‐aggregation process, detect proteome stresses, and quantify the protein homeostasis network capacity. Inspired by these seminal works, we have generalized design principles for the development of new detection methods and probes in the future that will illuminate this important biological process.
Suicide attempt using zinc phosphide rodenticide: A case report and literature review
Authors: Nekoukar Zahra , Moghimi Minoo , Rasouli Kimia , Hoseini Aref , Zakariaei Zakaria , Tabaripour Rabeeh , Fakhar Mahdi , Banimostafavi Elham Sadat 
Published: October 2021

AbstractThe patients with a history of intentional or unintentional consumption of rodenticide compounds, especially ZnP, it is necessary to assess ABG and abdominal radiography.
ZIF‐67 Derived Co/NC Nanoparticles Enable Catalytic Leuckart‐type Reductive Amination of Bio‐based Carbonyls to N‐Formyl Compounds
Authors: Li Chuanhui , Meng Ye , Yang Song , Li Hu 
Published: October 2021

AbstractIt is of great significance to develop non‐precious metal catalysts with excellent catalytic activity, stability, and acid resistance for biomass valorization. Herein, catalytic amination of biomass carbonyl compounds was achieved via a Leuckart‐type reaction over Co nanoparticles (NPs) embedded N‐doped carbon catalyst, which was prepared by thermolysis of ZIF‐67 precursor at different temperatures in the N2 atmosphere. The Co/NC‐800 catalyst exhibited excellent catalytic activity and recyclability in furfural reductive amination to mono‐substituted formamide, which was attributed to the synergistic catalytic action of Co NPs and nitrogen base sites of the catalyst. The reductive amination mechanisms were elucidated by theoretical calculations, and showed that the initial formation of C−N bond was derived from the condensation of furfural and formamide, followed by dehydration to form C=N double bond, which was then reduced by hydrogen species Co−H− and NH+. The developed catalytic system was applicable to different carbonyls for the synthesis of corresponding N‐formyl compounds with up to 99 % yield.
Chiral Bipyridine Ligand with Flexible Molecular Recognition Site: Development and Application to Copper‐Catalyzed Asymmetric Borylation of α,β‐Unsaturated Ketones
Authors: Tsutsumi Ryosuke , Taguchi Rika , Yamanaka Masahiro 
Published: October 2021

AbstractA novel chiral bipyridine ligand bearing a flexible side chain with a molecular recognition site enables precise stereocontrol through the cooperative action of metal center and hydrogen bonds. This new chiral ligand was applied to the copper‐catalyzed asymmetric borylation of α,β‐unsaturated carbonyl compounds. The reaction afforded the corresponding borylated products in good yields with high enantioselectivities. Preliminary studies of the functional group‐selective transformation revealed that the newly designed chiral bipyridine ligand has the potential to control chemo‐ and site selectivity in addition to stereoselectivity.