bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cooperative optimal power flow with flexible chemical process loads
Authors: Otashu Joannah I. , Seo Kyeongjun , Baldea Michael 
Published: January 2021

AbstractPower systems operations involve dispatching generation capacity and ancillary services as required to sustain reliable functioning of the electric grid. The dispatch schedules are determined by solving power flow calculations that incorporate models of the network components in real time as the power grid conditions change. Electricity intensive chemical processes can potentially provide grid support services and a closer coordination between process and grid operations can be beneficial. This cooperation is hindered by the lack of suitable process models, which appropriately protect process information. We propose a means to model the grid‐relevant dynamics of chemical processes, and a framework for embedding such models in optimal power flow calculations. We present an extensive case study concerning cooperative demand‐response operation for an electricity‐intensive chemical process, chlor‐alkali production. The results indicate significant flexibility and economic benefits both at the utility and at the end‐user levels.
Lessons from a 30 year follow‐up of monozygotic twins with discordant phenotype due to a ring 13 chromosomal mosaicism in one of them
Authors: Chanes Benjamin , Arriaza Marta , Lacassie Yves 
Published: January 2021

AbstractAt the 43rd annual meeting of the ASHG in 1993, the senior author reported monozygotic twins with discordant phenotype due to a ring 13 chromosomal mosaic syndrome in one of them. Her major manifestations included: intrauterine growth restriction (IUGR), failure to thrive (FTT), delayed developmental milestones/intellectual disability (DDM/ID), left hemihypoplasia of her body with leg length discrepancy, left profound deafness due to inner ear malformation, telecanthus, dental anomalies mainly on the left side, congenital torticollis due to Klippel‐Feil anomaly, 13 ribs, scoliosis, dislocation of the left hip, and distinctive left hand and feet. A blood karyotype at age 31/2 was normal. Silver‐Russell syndrome was initially suspected; however, at age 4, a karyotype on skin fibroblasts showed a ring 13 chromosomal mosaicism, 46,XX,15s+/46,XX,‐13,+r(13),15s+, with a higher frequency on the left side of the body. Since then, we have been involved in the management of this patient for 30 years. This has ultimately allowed us to compare her achievements with her normal monozygotic twin. In this long term follow‐up, we want to emphasize the importance of: (a) early recognition of genetic syndromes, especially of mosaicisms, and of early intervention programs, (b) the involvement of different specialists in the management of patients with MCA, and (c) mentioning how familial and socioeconomic issues may limit or enhance the full potential of patients with some genetic disorders.
Reversible Change in Fluorescent Color of Moisture‐sensitive Binary Films of 4‐[Bis(4‐methylphenyl)amino]benzylideneaniline with Organic Acids
Authors: Tsukada Takuma , Kitamura Yuya , Nakano Hideyuki 
Published: January 2021

AbstractNovel moisture‐sensitive binary films that exhibit reversible change in fluorescent color have been created using a fluorescent amorphous molecular material, 4‐[bis(4‐methylphenyl)amino]benzylideneaniline (BMBZA), with organic acids such as pentafluorobenzoic acid and benzoic acid. Orange fluorescent color of the film under ambient dry atmosphere was found to change drastically to greenish blue under wet atmosphere. Response speed of such color change was quite fast and it responded well to exhaled breath. It was suggested that such change in fluorescent color was due to switching the excited species between BMBZA and its protonated iminium cation, and that the acidity level of the organic acids was an important factor for exhibiting such reversible changes in fluorescent colors. In addition, excited‐state intermolecular proton transfer was suggested to contribute the orange fluorescence under dry atmosphere.
[5+2] Cyclization of N,N′‐Cyclic Azomethine Imines with 1,3,5‐Triazines: An Efficient Protocol for the Synthesis of Tetrazepine Derivatives
Authors: Chen Rongxiang , Liu Qingling , Wang Kai‐Kai , Qi Yonghua , Zhou Yong , Zhang An‐an , Meng Tuanjie , Liu Lantao 
Published: January 2021

AbstractAn unprecedented formal [5+2] cyclization of N,N′‐cyclic azomethine imines with triazines has been realized, which provides a facile access to biologically important 1,2,4,6‐tetrazepine frameworks with overall high yields (up to 98% yield). This methodology is distinguished by not involving a metal catalyst, readily available starting materials, and operational simplicity, which involves the reassembly of two C−N bonds.
Worm Sign: A possible first‐trimester sonographic marker for intracranial haemorrhage resulting in significant cortical disruption
Authors: Elsamadicy Emad , Kundishora Adam , Turan Sifa 
Published: January 2021

AbstractFetal intracranial haemorrhage (ICH) is a pathophysiological process involving haemorrhagic and hypoxic–ischaemic insults resulting in antenatal brain damage. Insults to the central nervous system are usually not detected until the second or third trimester. In this case presentation, we present a possible prenatal ultrasound marker, ‘worm sign’, representing cortical disruption secondary to suspected ICH at 13 weeks’ gestation. According to current literature review, this is one of the first cases of ICH, diagnosed in the first‐trimester and highlights the importance of early neurovascular and structural evaluation of the fetal brain at the time of first‐trimester ultrasound screening.
Reproducibility in Electroorganic Synthesis—Myths and Misunderstandings
Authors: Beil Sebastian B. , Pollok Dennis , Waldvogel Siegfried R. 
Published: January 2021

AbstractThe use of electric current as a traceless activator and reagent is experiencing a renaissance. This sustainable synthetic method is evolving into a hot topic in contemporary organic chemistry. Since researchers with various scientific backgrounds are entering this interdisciplinary field, different parameters and methods are reported to describe the experiments. The variation in the reported parameters can lead to problems with the reproducibility of the reported electroorganic syntheses. As an example, parameters such as current density or electrode distance are in some cases more significant than often anticipated. This Minireview provides guidelines on reporting electrosynthetic data and dispels myths about this technique, thereby streamlining the experimental parameters to facilitate reproducibility.
Diastereoselective Synthesis of Aryl C‐Glycosides from Glycosyl Esters via C−O Bond Homolysis
Authors: Wei Yongliang , Ben‐zvi Benjamin , Diao Tianning 
Published: January 2021

AbstractC‐aryl glycosyl compounds offer better in vivo stability relative to O‐ and N‐glycoside analogues. C‐aryl glycosides are extensively investigated as drug candidates and applied to chemical biology studies. Previously, C‐aryl glycosides were derived from lactones, glycals, glycosyl stannanes, and halides, via methods displaying various limitations with respect to the scope, functional‐group compatibility, and practicality. Challenges remain in the synthesis of C‐aryl nucleosides and 2‐deoxysugars from easily accessible carbohydrate precursors. Herein, we report a cross‐coupling method to prepare C‐aryl and heteroaryl glycosides, including nucleosides and 2‐deoxysugars, from glycosyl esters and bromoarenes. Activation of the carbohydrate substrates leverages dihydropyridine (DHP) as an activating group followed by decarboxylation to generate a glycosyl radical via C−O bond homolysis. This strategy represents a new means to activate alcohols as a cross‐coupling partner. The convenient preparation of glycosyl esters and their stability exemplifies the potential of this method in medicinal chemistry.
Melanin‐Inspired Chromophoric Microparticles Composed of Polymeric Peptide Pigments
Authors: Lampel Ayala , McPhee Scott A. , Kassem Salma , Sementa Deborah , Massarano Tlalit , Aramini James M. , He Ye , Ulijn Rein V. 
Published: January 2021

AbstractMelanin and related polyphenolic pigments are versatile functional polymers that serve diverse aesthetic and protective roles across the living world. These polymeric pigments continue to inspire the development of adhesive, photonic, electronic and radiation‐protective materials and coatings. The properties of these structures are dictated by covalent and non‐covalent interactions in ways that, despite progress, are not fully understood. It remains a major challenge to direct oxidative polymerization of their precursors (amino acids, (poly‐)phenols, thiols) toward specific structures. By taking advantage of supramolecular pre‐organization of tyrosine‐tripeptides and reactive sequestering of selected amino acids during enzymatic oxidation, we demonstrate the spontaneous formation of distinct new chromophores with optical properties that are far beyond the range of those found in biological melanins, in terms of color, UV absorbance and fluorescent emission.
Rational Fabrication of Low‐Coordinate Single‐Atom Ni Electrocatalysts by MOFs for Highly Selective CO2 Reduction
Authors: Zhang Yan , Jiao Long , Yang Weijie , Xie Chenfan , Jiang Hai‐Long 
Published: January 2021

AbstractSingle‐atom catalysts (SACs) have attracted tremendous interests due to their ultrahigh activity and selectivity. However, the rational control over coordination microenvironment of SACs remains a grand challenge. Herein, a post‐synthetic metal substitution (PSMS) strategy has been developed to fabricate single‐atom Ni catalysts with different N coordination numbers (denoted Ni‐Nx‐C) on pre‐designed N‐doped carbon derived from metal‐organic frameworks. When served for CO2 electroreduction, the obtained Ni‐N3‐C catalyst achieves CO Faradaic efficiency (FE) up to 95.6 %, much superior to that of Ni‐N4‐C. Theoretical calculations reveal that the lower Ni coordination number in Ni‐N3‐C can significantly enhance COOH* formation, thereby accelerating CO2 reduction. In addition, Ni‐N3‐C shows excellent performance in Zn–CO2 battery with ultrahigh CO FE and excellent stability. This work opens up a new and general avenue to coordination microenvironment modulation (MEM) of SACs for CO2 utilization.
Experimental study on kinetic characteristics of oil sludge gasification
Authors: Chu Zhiwei , Gong Zhiqiang , Wang Zhenbo , Zhang Haoteng , Wu Jinhui , Wang Ziyi , Guo Yizhi , Zhang Jianqiang , Li Guoen , Zhang Lei , Wang Hongpeng 
Published: January 2021

AbstractOil sludge (OS) is a typical dangerous waste in petroleum industry, which also contains abundant energy. The purpose of this study was to recover resources from OS gasification. To figure out the gasification process, a thermal analyzer was used to carry out OS gasification experiments under steam/nitrogen atmosphere with different heating rates. Results showed that the OS gasification reaction could be divided into five stages: free water volatilization, the escape of light components, the cracking of heavy components and steam reforming, the charring process and water gas shift (WGS) reactions, and inorganic mineral decomposition. The activation energy (E), pre‐exponential factor (A), enthalpy change (ΔH), Gibbs free energy change (ΔG), and entropy change (ΔS) of three main reaction stages (Stages 2–4) were analyzed through kinetic and thermodynamic analysis. From Stage 2 to Stage 4, E, ΔH, and ΔS decreased from 118.80 kJ·mol−1, 113.92 kJ·mol−1, and −4.09 J·(K mol)−1 to 13.19 kJ·mol−1, 5.92 kJ·mol−1, and −234.06 J·(K mol)−1, respectively. Nevertheless, ΔG increased from 116.01 to 210.04 kJ·mol−1. From these parameters, it could be found that the decrease of E was beneficial to the reaction. However, the values of ΔG were always positive and the reaction could not happen spontaneously.
Design, synthesis, characterization, and aging properties of a new end‐capped three‐dimensional high‐refractive index hybrid organic–inorganic polysiloxane
Authors: Legrand Sacha , Kärkkäinen Ari 
Published: January 2021

AbstractThe actual need for hybrid organic–inorganic polysiloxanes is very high due to their importance in optoelectronic applications, especially for the preparation of anti‐ and low‐reflection layers, photopatterned overcoats, flexible hard coats, and glass and metal coatings. However, such three‐dimensional hybrid polysiloxanes have very often a limited shelf life and aged very rapidly. Consequently, this type of polymer may require to be stored at cold temperatures and needs to be dilute in organic solvent to a very low solid content, which are unprofitable conditions for commercialization purposes. Therefore, there is an urgent demand to prepare three‐dimensional polysiloxanes, which are more resistant toward aging processes. Herein, a new hybrid three‐dimensional polysiloxane has been designed and synthesized from three different silane precursors using the sol–gel technology, and characterized using gel permeation chromatography, 1H, 13C, and 29Si nuclear magnetic resonance and MS spectroscopies. One‐fourth of the silanol groups present in the polysiloxane have been protected with chlorotrimethylsilane. The refractive index of the silicon wafer coated with the new polysiloxane was found to be 1.53, which is higher compare to traditional values. Importantly, the new protected three‐dimensional polysiloxane did not age after being stored at T = 40°C for 3 weeks.
Recent advances on graphene microstructure engineering for propellant‐related applications
Authors: Liu Yahao , Zheng Jian , Zhang Xiao , Li Ke , Du Yongqiang , Yu Guibo , Jia Yunfei , Zhang Yu 
Published: January 2021

AbstractAs a special polymeric composite and military‐strategic material, composite solid propellant has attracted extensive attention and efforts to improve its performances. Graphene been regarded as an ideal material to enhance the performances of propellants, because of its excellent physical and chemical properties, such as ultra‐strong strength, large specific surface area, remarkable thermal conductivity, and phenomenal electrical performance. Moreover, the microstructure engineering based on graphene has been demonstrated to reveal effective influences on the composites. Recently, many new advances have been developed in microstructure engineering of graphene for propellant‐related applications. In this article, we first present an overview of the main synthesis methods of graphene. Subsequently, these new advances are reviewed, discussed, and summarized carefully. Finally, the application prospects of microstructure engineering of graphene in the propellant field are proposed.
The stone adze and obsidian assemblage from the Talasiu site, Kingdom of Tonga
Authors: REEPMEYER CHRISTIAN , FERGUSON REDBIRD , VALENTIN FRÉDÉRIQUE , CLARK GEOFFREY R. 
Published: January 2021

ABSTRACTTypological and geochemical analyses of stone adzes and other stone tools have played a significant role in identifying directionality of colonisation movements in early migratory events in the Western Pacific. In later phases of Polynesian prehistory, stone adzes are important status goods which show substantial spatial and temporal variation. However, there is a debate when standardisation of form and manufacture appeared, whether it can be seen in earliest populations colonising the Pacific or whether it is a later development. We present in this paper a stone adze and obsidian tool assemblage from an early Ancestral Polynesian Society Talasiu site on Tongatapu, Kingdom of Tonga. The site shows a wide variety of adze types; however, if raw material origin is taken into account, emerging standardisation in adze form might be detected. We also show that Tongatapu was strongly connected in a network of interaction to islands to the North, particularly Samoa, suggesting that these islands had permanent populations.
Village‐specific Kula partnerships revealed by obsidian sourcing on Tubetube Island, Papua New Guinea
Authors: SHAW BEN , IRWIN GEOFF , PENGILLEY ALANA , KELLOWAY SARAH 
Published: January 2021

ABSTRACTThe inter‐island Kula exchange network within the Massim region of eastern New Guinea is unique in its complexity, with the historically recorded configuration between the northern islands archaeologically visible between 1350 and 1500 AD (600–450 calBP). The southern islands were incorporated sometime later, and Tubetube Island formed a major hub in this southern extension of the Kula. To assess the timing and extent of Tubetube Islander involvement, excavated obsidian was used as a proxy to assess social connections with other island communities within the ambit of Kula. Forty‐nine pieces from two sites, Lagisuna and Tupwana, spanning the relevant period were chemically characterised using pXRF and determined to have been sourced almost exclusively from western and eastern Fergusson sources, respectively. We argue social connections between communities were village specific. Lagisuna had connections with the West Fergusson source region outside of the ethnographically known Kula network from 1500 to 1650 AD (450–300 calBP). Tupwana had maintained historically recorded kinship connections with important Kula communities on Duau and Dobu in the East Fergusson source region over several generations by at least 1800 AD (150 calBP), and probably intermittently from 1500 to 1650 AD. Our results support an increasingly nuanced model for the past development of Kula exchange.
Determination of zolpidem phenyl‐4‐carboxylic acid and zolpidem 6‐carboxylic acid in hair using gas chromatography–electron ionization–tandem mass spectrometry
Authors: Kwon Nam Hee , Kim Seon Yeong , Suh Sung Ill , Kim Jin Young 
Published: January 2021

AbstractA gas chromatography–electron ionization–tandem mass spectrometric (GC–EI–MS/MS) method was developed and validated for determination of the major metabolites of zolpidem, zolpidem phenyl‐4‐carboxylic acid (ZPCA) and zolpidem 6‐carboxylic acid (ZCA) in human hair. The sample preparation procedure involves decontamination, mechanical pulverization, incubation, extraction and purification prior to instrumental analysis. The extracts were derivatized using hexafluoroisopropanol and heptafluorobutyric anhydride and analyzed by GC–EI–MS/MS. The linear ranges were 8–100 pg/mg for ZPCA and 16–200 pg/mg for ZCA, with the correlation coefficients >0.997. The limits of detection were 1.8 pg/mg for ZPCA and 1.7 pg/mg for ZCA. The recoveries ranged from 77.6 to 111.7%. The intra‐ and inter‐day precisions were within 16.9 and 11.7%, while intra‐ and inter‐day accuracies were −7.0–8.7 and −2.8–7.8%, respectively. The developed method was applied for the analysis of forensic hair samples obtained from suspected zolpidem abusers and the following concentration ranges were monitored: ZPCA 11.9–35.9 pg/mg and ZCA 16.6–21.8 pg/mg. The method proved to be suitable for picogram‐level determination of ZPCA and ZCA in human hair.
Photoregulation of Gene Expression with Ligand‐Modified Caged siRNAs through Host/Guest Interaction
Authors: Wang Qian , Fan Xinli , Jing Nannan , Zhao Han , Yu Lijia , Tang Xinjing 
Published: January 2021

AbstractSmall interfering RNA (siRNA) can effectively silence target genes through Argonate 2 (Ago2)‐induced RNA interference (RNAi). It is very important to control siRNA activity in both spatial and temporal modes. Among different masking strategies, photocaging can be used to regulate gene expression through light irradiation with spatiotemporal and dose‐dependent resolution. Many different caging strategies and caging groups have been reported for light‐activated siRNA gene silencing. Herein, we describe a novel caging strategy that increases the blocking effect of RISC complex formation/process through host/guest (including ligand/receptor) interactions, thereby enhancing the inhibition of caged siRNA activity until light activation. This strategy can be used as a general approach to design caged siRNAs for the photomodulation of gene silencing of exogenous and endogenous genes.
Strategies for Site‐Specific Labeling of Receptor Proteins on the Surfaces of Living Cells by Using Genetically Encoded Peptide Tags
Authors: Wolf Philipp , Gavins Georgina , Beck‐Sickinger Annette G. , Seitz Oliver 
Published: January 2021

AbstractFluorescence microscopy imaging enables receptor proteins to be investigated within their biological context. A key challenge is to site‐specifically incorporate reporter moieties into proteins without interfering with biological functions or cellular networks. Small peptide tags offer the opportunity to combine inducible labeling with small tag sizes that avoid receptor perturbation. Herein, we review the current state of live‐cell labeling of peptide‐tagged cell‐surface proteins. Considering their importance as targets in medicinal chemistry, we focus on membrane receptors such as G protein‐coupled receptors (GPCRs) and receptor tyrosine kinases (RTKs). We discuss peptide tags that i) are subject to enzyme‐mediated modification reactions, ii) guide the complementation of reporter proteins, iii) form coiled‐coil complexes, and iv) interact with metal complexes. Given our own contributions in the field, we place emphasis on peptide‐templated labeling chemistry.
Co‐occurring Congeners Reveal the Position of Enantiomeric Amino Acids in Nonribosomal Peptides
Authors: Pérez‐Victoria Ignacio 
Published: January 2021

AbstractThe absolute configuration of the constituent amino acids in microbial nonribosomal peptides is typically determined by Marfey's method after total hydrolysis of the peptide. A challenge to structure elucidation arises when both d and l enantiomeric configurations of an amino acid are present. Determining the actual position of each amino acid enantiomer within the peptide sequence typically requires laborious approaches based on peptide partial hydrolysis or even total synthesis of the possible diastereomers. Herein, an alternative solution is discussed based on the homogeneous backbone chirality that governs all peptides biosynthesized by a common nonribosomal peptide synthetase. The information on configuration provided by Marfey's analysis of co‐occurring minor congeners can reveal unequivocally the stereochemical sequence of the whole peptide family.
The role of TRIM family proteins in autophagy, pyroptosis, and diabetes mellitus
Authors: Wan Tingting , Li Xiudan , Li Yanbo 
Published: January 2021

AbstractThe ubiquitin‐proteasome system, which is one of the systems for cell protein homeostasis and degradation, happens through the ordered and coordinated action of three types of enzymes, E1 ubiquitin‐activating enzyme, E2 ubiquitin‐carrier enzyme, E3 ubiquitin‐protein ligase. Tripartite motif‐containing (TRIM) family proteins are the richest subfamily of really interesting new gene E3 ubiquitin ligases, which play a critical role not only in many biological processes, including proliferation, apoptosis, pyroptosis, innate immunity, and autophagy, but also many diseases like cancer, diabetes mellitus, and neurodegenerative disease. Increasing evidence suggests that TRIM family proteins play a vital role in modulating autophagy, pyroptosis, and diabetes mellitus. The aim of this review is to discuss the role of TRIM proteins in the regulation of autophagy, pyroptosis, diabetes mellitus, and diabetic complications.