bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Membrane‐Permeable and Immobilized Metal Affinity Chromatography (IMAC) Enrichable Cross‐Linking Reagent to Advance In Vivo Cross‐Linking Mass Spectrometry
Authors: Jiang Pin‐Lian , Wang Cong , Diehl Anne , Viner Rosa , Etienne Chris , Nandhikonda Premchendar , Foster Leigh , Bomgarden Ryan D. , Liu Fan 
Published: December 2021

AbstractCross‐linking mass spectrometry (XL‐MS) is an attractive method for the proteome‐wide characterization of protein structures and interactions. Currently, the depth of in vivo XL‐MS studies is lagging behind the established applications to cell lysates, because cross‐linking reagents that can penetrate intact cells and strategies to enrich cross‐linked peptides lack efficiency. To tackle these limitations, we have developed a phosphonate‐containing cross‐linker, tBu‐PhoX, that efficiently permeates various biological membranes and can be robustly enriched using routine immobilized metal ion affinity chromatography. We have established a tBu‐PhoX‐based in vivo XL‐MS approach that enables cross‐links in intact human cells to be identified in high numbers with substantially reduced analysis time. Collectively, the developed cross‐linker and XL‐MS approach pave the way for the comprehensive XL‐MS characterization of living systems.
Asymmetric Henry Reaction of Trifluoromethyl Enones with Nitromethane Using a N,N‐Dibenzyl Diaminomethylenemalononitrile Organocatalyst
Authors: Kawada Masahiro , Tsuyusaki Ryo , Nakashima Kosuke , Yamada Misaki , Kozakai Akihiro , Matsushima Yasuyuki , Hirashima Shin‐ichi , Miura Tsuyoshi 
Published: December 2021

AbstractA novel N,N‐dibenzyl diaminomethylenemalononitrile organocatalyst efficiently promoted asymmetric Henry reactions of trifluoromethyl enones with nitromethane, affording corresponding highly functionalized products in high yields with excellent enantioselectivities (up to 90% ee). This study is the first to report the successful example of the asymmetric 1,2‐additions of nitromethane to trifluoromethyl enones.
Rapid at‐line early cell death quantification using capacitance spectroscopy
Authors: Wu Suyang , Ketcham Stephanie A. , Corredor Claudia C. , Both Douglas , Drennen James K. , Anderson Carl A. 
Published: December 2021

AbstractCell death is one of the failure modes of mammalian cell culture. Apoptosis is a regulated cell death process mainly observed in cell culture. Timely detection of apoptosis onset allows opportunities for preventive controls that ensure high productivity and consistent product quality. Capacitance spectroscopy captures the apoptosis‐related cellular properties changes and thus quantifies the percentage of dying cells. This study demonstrated a quantification model that measures the percentage of apoptotic cells using a capacitance spectrometer in an at‐line setup. When predicting the independent test set collected from bench‐scale bioreactors, the root‐mean‐squared error of prediction was 8.8% (equivalent to 9.9% of the prediction range). The predicted culture evolution trajectory aligned with measured values from the flow cytometer. Furthermore, this method alarms cell death onset earlier than the traditional viability test, that is, the trypan blue exclusion test. Compared to flow cytometry (the traditional early cell death detection method), this method is rapid, simple, and less labor‐intensive. In addition, this at‐line setup can be easily transferred between scales (e.g., lab‐scale for development to manufacturing scale), which benefits process transfers between facilities, scale‐up, and other process transitions.
Impulsivity and compulsivity as parallel mediators of emotion dysregulation in eating‐related addictive‐like behaviors, alcohol use, and compulsive exercise
Authors: Forsén Mantilla Emma , Clinton David , Monell Elin , Levallius Johanna , Birgegård Andreas 
Published: December 2021

AbstractIntroductionTransdiagnostically relevant psychological traits associated with psychiatric disorders are increasingly being researched, notably in substance use and addictive behaviors. We investigated whether emotion dysregulation mediated by impulsivity and/or compulsivity could explain variance in binge eating, food addiction, self‐starvation, and compulsive exercise, as well as alcohol use (addictive‐like behaviors relevant to the obesity and eating disorder fields).MethodA general population sample of adults (N = 500, mean age = 32.5 years), females (n = 376) and males (n = 124), completed the Difficulties in Emotion Regulation Scale‐16, the Trait Rash Impulsivity Scale, the Obsessive‐Compulsive Inventory—Revised, the Eating Disorders Examination Questionnaire, the Self‐Starvation Scale, the Exercise Dependence Scale, the Yale Food Addiction Scale, and the Alcohol Use Disorders Identification Test online. Besides gender comparisons and intercorrelations between measures, we used predefined multiple mediation models with emotion dysregulation as independent variable, impulsivity and compulsivity as parallel mediators, to investigate whether these factors contributed explanatory power to each addictive‐like behavior as outcome, also using age and body mass index as covariates.ResultsFemales scored higher than males on emotion dysregulation and the eating‐related addictive‐like behaviors food addiction, self‐starvation, and binge eating. Intercorrelations between measures showed that emotion dysregulation and compulsivity were associated with all outcome variables, impulsivity with all except compulsive exercise, and the eating‐related behaviors intercorrelated strongly. Mediation models showed full or partial mediation of emotion dysregulation for all behaviors, especially via compulsivity, suggesting a behavior‐specific pattern. Mediation models were not affected by age or gender.DiscussionAddictive‐like behaviors seemed to be maintained by trait levels of emotion dysregulation, albeit channeled via trait levels of compulsivity and/or impulsivity. The role of emotion dysregulation may help us to understand why addictive‐like behaviors can be difficult to change in both clinical and nonclinical groups, and may be informative for treatment‐planning in patients where these behaviors are present. Our findings support adopting a more dimensional approach to psychiatric classification by focusing psychological facets such as those studied.
Efficient Hydrolytic Hydrogen Evolution from Sodium Borohydride Catalyzed by Polymer Immobilized Ionic Liquid‐Stabilized Platinum Nanoparticles
Authors: Doherty Simon , Knight Julian G. , Alharbi Hussam Y. , Paterson Reece , Wills Corinne , Dixon Casey , Šiller Lidija , Chamberlain Thomas W. , Griffiths Anthony , Collins Sean M. , Wu Kejun , Simmons Matthew D. , Bourne Richard A. , Lovelock Kevin R. J. , Seymour Jake 
Published: December 2021

AbstractPlatinum nanoparticles stabilized by imidazolium‐based phosphine‐decorated Polymer Immobilized Ionic Liquids (PPh2‐PIIL) catalyze the hydrolytic evolution of hydrogen from sodium borohydride with remarkable efficiency, under mild conditions. The composition of the polymer influences efficiency with the catalyst based on a polyethylene glycol modified imidazolium monomer (PtNP@PPh2‐PEGPIILS) more active than its N‐alkylated counterpart (PtNP@PPh2‐N‐decylPIILS). The maximum initial TOF of 169 moleH2.molcat−1.min−1 obtained at 30 °C with a catalyst loading of 0.08 mol% is among the highest to be reported for the aqueous phase hydrolysis of sodium borohydride catalyzed by a PtNP‐based system. Kinetic studies revealed that the apparent activation energy (Ea) of 23.9 kJ mol−1 for the hydrolysis of NaBH4 catalyzed by PtNP@PPh2‐PEGPIILS is significantly lower than that of 35.6 kJ mol−1 for PtNP@PPh2‐N‐decylPIILS. Primary kinetic isotope effects kH/kD of 1.8 and 2.1 obtained with PtNP@PPh2‐PEGPIILS and PtNP@PPh2‐N‐decylPIILS, respectively, for the hydrolysis with D2O support a mechanism involving rate determining oxidative addition or σ‐bond metathesis of the O−H bond. Catalyst stability and reuse studies showed that PtNP@PPh2‐PEGPIILS retained 70 % of its activity across five runs; the gradual drop in conversion appears to be due to poisoning of the catalyst by the accumulated metaborate product as well as the increased viscosity of the reaction mixture.
Color trend prediction method based on genetic algorithm and extreme learning machine
Authors: Wang Weihao , Liu Yan , Song Fanghao , Wang Yong 
Published: December 2021

AbstractPredicting the trends of future color is a crucial task in the study of color application, which is also of great importance to the business economy and has received increasing attention in the design field in recent years. More advanced quantitative computational methods are expected to make the prediction more accurate, and thus help designers to avoid the interference of subjective factors when carrying out the design. In this article, a hybrid model based on genetic algorithm and extreme learning machine is developed to predict color trends. The accuracy is improved through the optimal solution of hidden bias and input weights of the extreme learning machine searched by a genetic algorithm. By using a real historical dataset of smartphone appearance color, the prediction results of the genetic algorithm‐extreme learning machine model are compared with those of several commonly used models in the past. The accuracy of the model is evaluated in terms of absolute error and mean absolute error values. The results show that the method proposed in this article can maintain higher accuracy when predicting the trends of smartphone appearance color.
Peptide‐Conjugated Silver Nanoparticles for the Colorimetric Detection of the Oncoprotein Mdm2 in Human Serum
Authors: Retout Maurice , Gosselin Bryan , Mattiuzzi Alice , Ternad Indiana , Jabin Ivan , Bruylants Gilles 
Published: December 2021

AbstractThe development of efficient, reliable, and easy‐to‐use biosensors allowing early cancer diagnosis is of paramount importance for patients. Herein, we report a biosensor based on silver nanoparticles functionalized by peptide aptamers for the detection of a cancer biomarker, i. e. the Mdm2 protein. Silver nanoparticles (AgNPs) were produced and stabilized with a thin PEGylated‐calix[4]arene layer that allows (i) the steric stabilization of the AgNPs and (ii) the covalent conjugation of the peptide aptamers via the formation of an amide bond. These peptide‐conjugated AgNPs were then used to detect Mdm2 via a dual trapping strategy that was previously reported with gold nanoparticles (AuNPs). Our results showed that replacing AuNPs by AgNPs improves the detection limit by nearly one order of magnitude, down to 5 nM, while the high selectivity of the system and the stability of the particles provided by the calixarene coating allow the detection of Mdm2 in human serum.
High‐Throughput Screening of Blade‐Coated Polymer:Polymer Solar Cells: Solvent Determines Achievable Performance
Authors: Harillo‐Baños Albert , Fan Qunping , Riera‐Galindo Sergi , Wang Ergang , Inganäs Olle , Campoy‐Quiles Mariano 
Published: December 2021

AbstractOptimization of a new system for organic solar cells is a multiparametric analysis problem that requires substantial efforts in terms of time and resources. The strong microstructure‐dependent performance of polymer:polymer cells makes them particularly difficult to optimize, or to translate previous knowledge from spin coating into more scalable techniques. In this work, the photovoltaic performance of blade‐coated devices was studied based on the promising polymer:polymer system PBDB‐T and PF5‐Y5 as donor and acceptor, respectively. Using the recently developed high‐throughput methodology, the system was optimized for multiple variables, including solvent system, active layer composition, ratio, and thickness, among others, by fabricating more than 500 devices with less than 24 mg of each component. As a result, the power conversion efficiency of the blade‐coated devices varied from 0.08 to 6.43 % in the best device. The performed statistical analysis of the large experimental data obtained showed that solvent selection had the major impact on the final device performance due to its influence on the active layer microstructure. As a conclusion, the use of the plot of the device efficiency in the Hansen space was proposed as a powerful tool to guide solvent selection in organic photovoltaics.
Aspiration cytology of pleomorphic adenoma with squamous metaplasia: A case series and literature review illustrating diagnostic challenges
Authors: Li Joshua J. X. , Ng Joanna K. M. , Lau Eric H. L. , Chan Amy B. W. 
Published: December 2021

AbstractObjectiveSquamous metaplasia is not uncommonly observed in salivary gland neoplasms, including pleomorphic adenomas (PAs). It poses as a diagnostic pitfall with cytomorphologic features overlapping with low‐grade epithelial malignances and carcinoma ex‐PA. We report series of aspirates of PAs with squamous metaplasia and review the literature for the clinicopathological and cytologic features of this diagnostically challenging entity.MethodsThree cases including index aspiration cytology, post‐aspiration specimen cytology, cell block immunohistochemistry (IHC), histologic correlation, and clinical data were reviewed. Literature search was performed for cases of PAs with squamous metaplasia, yielding 22 case reports including 11 with aspiration cytology performed.ResultsMetaplastic squamous components were seen in all index aspirations, but foreign body reaction and cystic changes were observed only after aspiration or in irritated lesions. PLAG1 IHC demonstrated reliable immunoreactivity in cell block preparations. Summarizing cases in this series and in the literature, cytologic features reported were variable and no consistent diagnostic feature was identified. Most reported cases were initially diagnosed as suspicious or malignant, but all ran a benign clinical course. Significant morbidity was reported only in one case due extensive surgery based on a malignant diagnosis.ConclusionsSquamous metaplasia in PAs is not associated with adverse outcomes, but may induce reactive changes upon aspiration/irritation, resulting in worrisome cytologic features. PLAG1 IHC is a useful adjunct when characteristic cytologic features for PAs are absent or obscured. Prudent use of the diagnostic category salivary gland neoplasm of uncertain malignant potential (SUMP) in the Milan system can avoid overtreatment.
High‐Fidelity Dimerization of Xanthenyl Radicals and Dynamic Qualities of a Congested Ethane: Diethyl Dixanthenyl‐9,9′‐Dicarboxylate
Authors: Hogan David T. , Dubrawski Zachary , Gelfand Benjamin S. , Sutherland Todd C. 
Published: December 2021

AbstractExploration of the sterically‐congested ethane diethyl dixanthenyl‐9,9′‐dicarboxylate has revealed the dynamic behavior arising from its congested C−C bond. Interlocking ‘geared’ substituents and favorable dispersion interactions around this bond result in a conformational preference for partially cofacial xanthene moieties both in solid state and as dilute solutions. The weak, centrally located C−C bond is 1.628 Å long and permits selective thermolysis to yield two carbon‐centered ethyl xanthenyl‐9‐carboxylate radicals, which dimerize with high fidelity into the original sterically‐congested ethane. Recombination of the radicals into this symmetrical head‐to‐head dimer is highly reproducible – by observing the equilibrium, the bond dissociation enthalpy was calculated to be 20.4 kcal ⋅ mol−1. The substituents around the central carbon provide insufficient stabilization against oxygen, which consumes the radicals and unbalances the dimer‐radical equilibrium.
Synthesis of Aryl Sulfides by Metal‐Free Arylation of Thiols with Diaryliodonium Salts under Basic Conditions**
Authors: Sarkar Sudeep , Wojciechowska Natalia , Rajkiewicz Adam A. , Kalek Marcin 
Published: December 2021

AbstractMetal‐free arylation of thiols with diaryliodonium salts has been developed. The application of a strong organic base enables the C−S bond formation under mild and experimentally simple conditions. The method allows for the synthesis of aryl sulfides containing a broad range of aryl groups from an array of thiols, including aryl, heteroaryl, and alkyl ones. The mechanism of the reaction was studied by DFT calculations, demonstrating that it proceeds via the inner sphere pathway involving formation of an Ar2I(SR) intermediate, followed by reductive elimination.
The Negro River in the Anavilhanas Archipelago: Streamflow and geomorphology of a complex anabranching system in the Amazon
Authors: Marinho Rogério Ribeiro , Zanin Paulo Rodrigo , Filizola Junior Naziano Pantoja 
Published: December 2021

AbstractThe evolution of the fluvial landscape is the result of controls and processes that can be observed by the adjustments a river makes to its hydrological regime. The Negro River is the sixth‐largest river in the world by water volume and contains two complex anabranching systems, the Anavilhanas and Mariuá archipelagos, and despite its importance, there is a lack of hydrological survey data on its multichannel reaches. The objective of this study was to analyse the fluvial dynamics of the lower Negro River and the morphodynamics of the Anavilhanas Archipelago channels in the Amazon basin. The analysed set of fluviometric surveys and cartographic data indicated that the average water velocity and depth of the channels were the most sensitive variables for water discharge variability. In addition, the reduction in the width/depth ratio of the channels in the Anavilhanas region is associated with an increased number of islands, but not with a fluvial transport capacity increase. These landforms play an important role in modulating flood wave dynamics in the lower reach of the Negro River. Seasonal water storage occurs in the channels and lakes of the archipelago due to the backwater effect caused by the Amazon River, which is the main control in the spatiotemporal variation of water discharge along the Anavilhanas Archipelago.
Blockchain‐enabled secure communication mechanism for IoT‐driven personal health records
Authors: Wazid Mohammad , Das Ashok Kumar , Park Youngho 
Published: December 2021

AbstractThe information system of healthcare operates through various frameworks, like wireless body area network, telecare medical information system, and mobile or electronic healthcare. All these systems need to maintain the personal health records (PHRs) for various users (ie, patients, doctors, and nurses). In such systems, we need to process and store the health related sensitive data (ie, PHRs). In this article, we aim to provide a robust security mechanism to secure exchange and storage of healthcare data, especially PHRs. We present a generic architecture of blockchain‐enabled secure communication mechanism for Internet of Things‐driven personal health records (BIPHRS). We then discuss various threats and security attacks of healthcare system along with different available security mechanisms. The conducted security analysis and detailed comparative study of the state of art blockchain enabled security schemes for PHR systems show that the proposed BIPHRS provides a better security and more functionality features as compared to other similar existing approaches.
Response surface optimization of cupcake physicochemical and sensory attributes during storage period: Effect of apricot kernel flour addition
Authors: Ahmadi Fahimeh , Aghajani Narjes , Gohari Ardabili Ashraf 
Published: December 2021

AbstractToday, the demand for functional products has increased. Apricot kernel is an important source of protein, oil, and fiber and has high antioxidant and antimicrobial properties. In this study, the effect of adding different levels (15% and 30%) of apricot kernel flour (AKF) to the cupcake formulation on the physicochemical, textural, and sensory attributes of the produced cupcake during 14 days of storage was investigated and optimized by the response surface methodology (RSM) to find the optimum cupcake production with respect to maintaining the quality attributes of produced cake during storage period compared with control sample. The results showed that increasing AKF significantly increased the consistency and apparent viscosity of the dough, as well as the volume, height, and percentage of cake baking loss, but the moisture content and hardness of the cake did not show a significant difference compared with the control sample. Also, the crust and crumb color of the samples containing AKF were significantly lighter than the control sample. The results of optimization process showed that addition up to 30% AKF improved the sensory properties such as the crust and crumb color, texture, porosity, aroma, taste, and overall acceptance compared with the control sample. Samples containing 30% AKF were selected as the best formulation by panelists.
Murburn precepts for lactic‐acidosis, Cori cycle, and Warburg effect: Interactive dynamics of dehydrogenases, protons, and oxygen
Authors: Manoj Kelath Murali , Nirusimhan Vijay , Parashar Abhinav , Edward Jesucastin , Gideon Daniel Andrew 
Published: December 2021

AbstractIt is unresolved why lactate is transported to the liver for further utilization within the physiological purview of Cori cycle, when muscles have more lactate dehydrogenase (LDH) than liver. We point out that the answer lies in thermodynamics/equilibriums. While the utilization of NADH for the reduction of pyruvate to lactate can be mediated via the classical mechanism, the oxidation of lactate (with/without the uphill reduction of NAD+) necessitates alternative physiological approaches. The latter pathway occurs via interactive equilibriums involving the enzyme, protons and oxygen or diffusible reactive oxygen species (DROS). Since liver has high DROS, the murburn activity at LDH would enable the cellular system to tide over the unfavorable energy barriers of the forward reaction (~476 kJ/mol; earlier miscalculated as ~26 kJ/mole). Further, the new mechanism does not necessitate any “smart decision‐making” or sophisticated control by/of proteins. The DROS‐based murburn theory explains the invariant active‐site structure of LDH isozymes and their multimeric nature. The theoretical insights, in silico evidence and analyses of literature herein also enrich our understanding of the underpinnings of “lactic acidosis” (lowering of physiological pH accompanied by lactate production), Warburg effect (increased lactate production at high pO2 by cancer cells) and approach for cancer therapy.