bluuebunny/crossref_metadata_2025_split huggingface dataset:
Detection and remediation of chiral pharmaceuticals from wastewater: A review
Authors: Vashistha Vinod Kumar 
Published: March 2022

AbstractChiral organic pollutants including pharmaceuticals, pesticides, herbicides, flame retardants, and polycyclic musk cause significant risks to both the environment and human health. Chiral pharmaceuticals (CPs) are among the significant class of pseudo‐persistent substances that have been observed in the concentration level from nanomolar to micromolar quantities and cause bad impacts on nontargeted species and direct or indirect human health issues due to water and foodborne contamination. The CPs may contain one or more chiral centers in their structural framework and thus enantiomers of CPs often possess different distribution, fate, bioaccumulation potential, and toxicity. The enantioselective chromatographic techniques have been extensively applied to detect drug enantiomers during the last few years. Bioremediation techniques offer unique characteristics above conventional remediation procedures as these could be cost‐effective and accomplish total organic pollutant decomposition without causing collateral damage to the site material or native flora and fauna. This review describes the impacts of chiral pharmaceuticals on the environment; detection technologies (particularly liquid chromatography), and important remedial measures for safer disposal of such pollutants.
Panniculitis in dermatomyositis: Two cases with antitranscriptional intermediary factor‐1 antibody as myositis‐specific antibody and review of the literature
Authors: Takezawa Kaori , Ueda‐Hayakawa Ikuko , Tanaka Akihiro , Son Yonsu , Yamazaki Fumikazu , Kambe Naotomo , Okamoto Hiroyuki , Fujimoto Manabu 
Published: March 2022

AbstractDermatomyositis (DM) is a systemic disease characterized by chronic inflammation in the skin and muscle. A variety of myositis‐specific autoantibodies (MSAs) are detected in patients with DM. These antibodies are associated with unique clinical subsets in DM. Panniculitis is a rare cutaneous manifestation of DM that most commonly presents as tender, erythematous subcutaneous nodules on the thighs, arms, and buttocks. We herein describe the clinical features of two DM‐associated panniculitis patients with anti‐TIF1 antibodies. Both are female patients and showed characteristic cutaneous features, including heliotrope rashes and Gottron's signs with muscle involvement. While one patient had a posterior mediastinum tumor, another had no cancer. Furthermore, to elucidate the clinical significance of anti‐TIF1 antibodies in DM patients with panniculitis, we analyzed all cases with detailed information on the clinical features, including MSAs. A PubMed search of keywords “panniculitis” and “DM” was conducted. We found 23 cases with the detection of MSAs. A review of these cases and our two cases revealed a predominance of female gender (80%) with a median age of 48 years. Anti‐MDA5 antibodies were detected in 11 patients (11/23, 48%), and anti‐TIF1 antibodies were observed in four patients, including the current cases (4/23, 17%). Anti‐Mi‐2 antibodies were observed in four patients (4/23, 17%). Each patient had anti‐NXP‐2 antibodies or anti‐SAE antibodies (2/23; 9%). Although the pathogenesis of panniculitis in DM remains unknown, differences in pathogenesis of DM‐associated panniculitis according to MSAs may exist. Accumulation of additional cases is required to clarify the relationship between panniculitis and MSAs.
Toward a digital transformation of the theory of the firm: Emergence as framework for organizational sustainability
Authors: Valentinov Vladislav , Van Assche Kristof , Hermans Frans 
Published: March 2022

AbstractEmbracing methodological individualism, the mainstream economic theory of the firm has little to say about the precarious nature of the firm's embeddedness in encompassing socioecological systems. The digital transformation of the theory of the firm can address this gap by deconstructing the standpoint of methodological individualism. In transaction cost economics, this standpoint is manifest in two assumptions about human nature, namely bounded rationality and opportunism. Drawing on Chester Barnard's insights on the firm, the present paper seeks to construct a view of organizations as emergent systems irreducible to the activities of participating individuals. By inverting the assumptions of bounded rationality and opportunism, the paper differentiates between two varieties of the emergent nature of the firm, cognitive and moral. The ideas of the cognitive and moral emergence of the firm expand the pallet of options for the firm to adapt to socioecological systems and illuminate the notion of sustainability transitions. This way, the digitally enhanced understanding of the firm offers hope for a better dialogue between the economic theory of the firm, sustainability scholarship, and business ethics.
Joint influence of R&D strategy and environmental uncertainty on innovation performance: Insight from transaction cost economics
Authors: Lin Zhouyu , Jiang Marshall S. , Wang Xiaoting 
Published: March 2022

AbstractThis study aims to extend transaction cost economics (TCE) to explain the effects of the strategies of internal and external R&D on innovation performance under two types of environmental uncertainty, namely dynamism and complexity. As a departure from conventional TCE wisdom that internally focused R&D strategy is more efficient under environmental uncertainty, this study proposes that such a strategy can be less efficient under environmental dynamism, which is another important type of uncertainty. The results from a sample of manufacturing firms in China from 2002 to 2007 show that externally focused R&D strategy leads to better innovation performance under environmental dynamism, whereas internally focused R&D strategy results in better innovation performance under environmental complexity.
Synchronous tonsillar tumors with differing histopathology: A case report and review of the literature
Authors: Rossi Nicholas A. , Reddy Devin N. , Rawl Jordan W. , Dong Jianli , Qiu Suimin , Clement Cecilia G. , Resto Vicente A. , Joshi Rohan , McKinnon Brian , Coblens Orly 
Published: March 2022

AbstractBackgroundTonsillar squamous cell carcinoma (TSCC) due to human papillomavirus (HPV) infection has seen a dramatic increase in recent years. Bilateral tonsillar squamous cell carcinoma (biTSCC) has a much lower incidence than unilateral TSCC and three main hypotheses of biTSCC pathogenesis prevail: field carcinogenesis, single‐clone, and multiple HPV infections.CaseA 49‐year‐old Male with a remote history of chewing tobacco presented with symptoms of spitting up tissue and occasional hemoptysis. Physical exam showed a sole left tonsillar mass which was confirmed to be TSCC on biopsy. The patient's computed tomographic (CT) scan was consistent with this finding; however, positron emission tomography (PET) scan indicated a second tumor in the contralateral right tonsil. Surgical resection of both masses and selective neck dissection was performed, and the specimens were sent for further pathological analysis. No complications of surgery were noted and the final diagnosis of synchronous biTSCC was made. The tumors were a T2N0M0 left poorly differentiated TSCC (p16+, EGFR+, bcl2+) with basaloid features, and a T1N0M0 right well to moderately differentiated TSCC (p16+, EGFR+, bcl2−).ConclusionOur present case was notable for differing tumor pathology and karyotype analysis between the right and left masses, directly supporting the multiple HPV infections hypothesis of biTSCC pathogenesis. Further genetic characterization of tonsillar tumors is needed to better characterize TSCC and best guide medical/surgical therapy.
A new ridge‐type estimator for the linear regression model with correlated regressors
Authors: Owolabi Abiola T. , Ayinde Kayode , Alabi Olusegun O. 
Published: March 2022

AbstractThe ridge‐type regression estimators are frequently being used to address multicollinearity in the linear regression model due to the inefficiency of the famous ordinary least squares estimator. The ridge‐type regression estimator can be in one or two‐parameter form. This paper proposes another ridge‐type estimator, a two‐parameter ridge‐type estimator, and establishes its statistical properties theoretically and through Monte Carlo simulation studies. Two different biasing parameters (k1d1 and k2d2) were considered for the proposed and compared with six other existing estimators. Results of Monte Carlo simulation studies show the dominance of the proposed method over some existing ones using the mean squared criterion. In addition, the proposed dominated the existing estimators when applied to real‐life datasets using mean squared error and cross‐validation as the criterion.
Dissociative Electron Attachment to Hexachlorobenzene
Authors: Goryunkov Alexey A. , Asfandiarov Nail L. , Rakhmeev Rustam G. , Markova Angelina V. , Pshenichnyuk Stanislav A. , Rybalchenko Alexey V. , Lukonina Natalia S. , Ioffe Ilya N. 
Published: March 2022

AbstractGas phase molecules of hexachlorobenzene (C6Cl6) were investigated by means of dissociative electron attachment spectroscopy (DEAS). Three channels of molecular negative ions decay have been identified: abstraction of Cl− and Cl2− as well as electron detachment (τa∼250 μs at 343 K). All three channels exhibit temperature dependence. The adiabatic electron affinity estimated using a simple but typically accurate Arrhenius model (EAa=1.6–1.9 eV) turns out to be much higher than the quantum‐chemical predictions (EAa=0.9–1.0 eV). We discuss the possible reasons behind the observed discrepancy.
Identification of Crucial Intermediates in the Formation of Humins from Cellulose‐Derived Platform Chemicals Under Brønsted Acid Catalyzed Reaction Conditions
Authors: Divya P. S. , Nair Swetha , Kunnikuruvan Sooraj 
Published: March 2022

AbstractHumins are one of the undesirable products formed during the dehydration of sugars as well as the conversion of 5‐hydroxymethylfurfural (HMF) to value‐added products. Thus, reducing the formation of humins is an important strategy for improving the yield of the aforementioned reactions. Even after a plethora of studies, the mechanism of formation and the structure of humins are still elusive. In this regard, we have employed density functional theory‐based mechanistic studies and microkinetic analysis to identify crucial intermediates formed from glucose, fructose, and HMF that can initiate the polymerization reactions resulting in humins under Brønsted acid‐catalyzed reaction conditions. This study brings light into crucial elementary reaction steps that can be targeted for controlling humins formation. Moreover, this work provides a rationale for the experimentally observed aliphatic chains and HMF condensation products in the humins structure. Different possible polymerization routes that could contribute to the structure of humins are also suggested based on the results. Importantly, the findings of this work indicate that increasing the rate of isomerization of glucose to fructose and reducing the rate of reaction between HMF molecules could be an efficient strategy for reducing humins formation.
Design, Construction, and Implementation of a Magnetic Resonance Elastography Actuator for Research Purposes
Authors: Triolo Emily Rose , Khegai Oleksandr , Ozkaya Efe , Rossi Nicholas , Alipour Akbar , Fleysher Lazar , Balchandani Priti , Kurt Mehmet 
Published: March 2022

AbstractMagnetic resonance elastography (MRE) is a technique for determining the mechanical response of soft materials using applied harmonic deformation of the material and a motion‐sensitive magnetic resonance imaging sequence. This technique can elucidate significant information about the health and development of human tissue such as liver and brain, and has been used on phantom models (e.g., agar, silicone) to determine their suitability for use as a mechanical surrogate for human tissues in experimental models. The applied harmonic deformation used in MRE is generated by an actuator, transmitted in bursts of a specified duration, and synchronized with the magnetic resonance signal excitation. These actuators are most often a pneumatic design (common for human tissues or phantoms) or a piezoelectric design (common for small animal tissues or phantoms). Here, we describe how to design and assemble both a pneumatic and a piezoelectric MRE actuator for research purposes. For each of these actuator types, we discuss displacement requirements, end‐effector options and challenges, electronics and electronic‐driving requirements and considerations, and full MRE implementation. We also discuss how to choose the actuator type, size, and power based on the intended material and use. © 2022 Wiley Periodicals LLC.Basic Protocol 1: Design, construction, and implementation of a convertible pneumatic MRE actuator for use with tissues and phantom modelsBasic Protocol 2: Design, construction, and implementation of a piezoelectric MRE actuator for localized excitation in phantom models
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]‐Hydrogenase Active Site: A DFT Case Study on Electron‐Rich, Isocyanide‐Based Scaffolds
Authors: Arrigoni Federica , Rizza Fabio , Bertini Luca , De Gioia Luca , Zampella Giuseppe 
Published: March 2022

AbstractThe electron rich Fe2(pdt)(RNC)6 1 (pdt=CH2(CH2S−)2) has been used as starting point for a DFT multi‐functional study to assess the feasibility of designing a stable inverted (or rotated) disposition of the two FeL3 pyramidal moieties in the dimetallic core, a key feature of [FeFe]‐hydrogenase cofactor. The choice of 1 was motivated by the presence of a rotated form in solution, slightly less stable than the unrotated stereoisomer. Aimed to find an upgraded version of 1, featuring the rotated isomer as ground state, various combinations of factors have been tested, for their effect on the relative stability of rotated vs unrotated isomers. The general result is that combining coordination asymmetry, electron donor presence and isocyanides R substituents able to establish intramolecular interactions is effective in stabilizing the rotated isomer. Our DFT study may inspire the design of synthetic biomimetics, with improved resemblance to the natural system.
Stereoselective Syntheses of Deuterated Pipecolic Acids as Tools to Investigate the Stereoselectivity of the Hydroxylase GetF
Authors: Neis Nadine , Xie Feng , Krug Daniel , Zhao Haowen , Siebert Andreas , Binz Tina M. , Fu Chengzhang , Müller Rolf , Kazmaier Uli 
Published: March 2022

AbstractMembers of the GE81112 family are interesting candidates for the development of antibiotics. The configuration of the OH group on the pipecolic acid moiety plays a pivotal role in antibiotic activity. To investigate the stereoselectivity of the corresponding hydroxylase GetF, involved in the biosynthetic pathway, we synthesized the two deuterium‐labeled pipecolic acid diastereomers in a highly stereoselective fashion via chelate‐enolate Claisen rearrangement. The stereochemical outcome of the enzymatic hydroxylation step could easily be determined by analysis of mass differences between the products.
Protein speciation is likely to increase the chance of proteins to be determined in 2‐DE/MS
Authors: Kwiatkowski Marcel , Hotze Madlen , Schumacher Julia , Asif Abdul R. , Pittol Jose Miguel Ramos , Brenig Bertram , Ramljak Sanja , Zischler Hans , Herlyn Holger 
Published: March 2022

AbstractMultiple spotting due to protein speciation might increase a protein's chance of being captured in a random selection of 2‐DE spots. We tested this expectation in new (PXD015649) and previously published 2‐DE/MS data of porcine and human tissues. For comparison, we included bottom‐up proteomics studies (BU‐LC/MS) of corresponding biological materials. Analyses of altogether ten datasets proposed that amino acid modification fosters multispotting in 2‐DE. Thus, the number of 2‐DE spots containing a particular protein more tightly associated with a peptide diversity measure accounting for amino acid modification than with an alternative one disregarding it. Furthermore, every 11th amino acid was a post‐translational modification candidate site in 2‐DE/MS proteins, whereas in BU‐LC/MS proteins this was merely the case in every 21st amino acid. Alternative splicing might contribute to multispotting, since genes encoding 2‐DE/MS proteins were found to have on average about 0.3 more transcript variants than their counterparts from BU‐LC/MS studies. Correspondingly, resolution completeness as estimated from the representation of transcript variant‐rich genes was higher in 2‐DE/MS than BU‐LC/MS datasets. These findings suggest that the ability to resolve proteomes down to protein species can lead to enrichment of multispotting proteins in 2‐DE/MS. Low sensitivity of stains and MS instruments appears to enhance this effect.
Capillary electrophoresis‐acid barrage stacking online enrichment method for highly sensitive determination of four isoflavones
Authors: Zhang Yufei , Ma Haixia , Zhang Yuhui , Dong Yuming 
Published: March 2022

AbstractA capillary electrophoresis‐acid barrage stacking online enrichment method has been established to detect the four isoflavones which are Daidzein, Genistein, Formononetin, and Biochanin A. The proposed method was optimized using a single factor alternative method, and the optimal conditions obtained from the optimization were: the BGE was 25 mM borax and 2 mM β‐cyclodextrin, the applied separation voltage was 20 kV, and the detection wavelength was 260 nm. The time ratio of the injection of sample and the injection of acid was 150 s:20 s, and the acid used was 250 mM acetic acid. The sample solvent used was 60% v/v acetonitrile. The established method had the enrichment factor of these four isoflavones at 24.5, 32.0, 29.2, and 33.7, respectively, LOD and LOQ are as low as nanograms per milliliter. Finally, the CE‐acid barrage stacking method was successfully applied to the determination of four isoflavones in rat plasma and red clover extract, verifying the applicability and feasibility of the method.
A new set of 20 Multi‐InDel markers for forensic application
Authors: Liu Jinding , Zhang Xiuying , Zhang Xiaomeng , Li Wenyan , Gao Linlin , Li Jing , Wang Jiaqi , Liu Zidong , Liu Yao , Yan Jiangwei , Zhang Gengqian 
Published: March 2022

AbstractInsertion/deletion markers (InDels) become an important marker for forensic medicine because of their compatible typing techniques with STRs and lower mutation rates. Recent years, a new kind of DNA marker named Multi‐InDel was reported as characterized by two or more tightly linked InDel loci within a short length of physical position, usually 200–300 nucleotides. Many pieces of research showed that Multi‐InDels had excellent application values in ancestry inference and forensic medicine. Since the identical number of insertion/deletion nucleotides of the InDel markers that composing the Multi‐InDel marker, the genotypes of most reported Multi‐InDels could not be directly typed by capillary electrophoresis (CE) due to the lack of length discrepancy among the composing InDel sequence. In this study, we applied a typing system of 20 Multi‐InDels including 41 InDels, whose genotypes could be deduced by CE and assessed their potential applications in forensic medicine. A total of 200 unrelated Chinese Han individuals and five mother‐child‐father trios with proven paternity with one STR locus transmission incompatibilities from Shanxi province were genotyped by the multiplex system. The results showed that a total of 70 specific alleles were observed, more than three alleles were observed in 19 loci and seven alleles were observed in one locus. The combined probability of exclusion and the combined power of discrimination were 0.992 and 0.99999999993, respectively. This study demonstrates their potential usefulness for individual identification and paternity tests. The development of Multi‐InDels provided another genetic tool inherent in higher polymorphic and lower mutation rates.
Yttrium‐dopedSn3O4two‐dimensionalelectron transport material for perovskite solar cells with efficiency over 23%
Authors: Li Sheng , Liu Jiale , Liu Shuang , Zhang Deyi , Liu Chao , Li Daiyu , Qi Jianhang , Hu Yue , Mei Anyi , Han Hongwei 
Published: March 2022

AbstractThe two‐dimensional mixed‐valence tin oxide Sn3O4with a low defect density of states and suitable energy band structure has shown great potential as the electron transport layer (ETL) for perovskite solar cells (PSCs). However, the electron density of Sn3O4is low and should be modulated to demonstrate its application for more efficient PSCs. Here, Sn3O4is doped with yttrium (Y) to optimize its electronic properties and improve the performance of PSCs based on Sn3O4ETL. The conductivity of Sn3O4is improved from 6.6 × 10−4to 2.05 × 10−3 S m−1with increased electron density by Y doping. Meanwhile, the Fermi level of Sn3O4is also upshifted after doping. The increased electron density and upshifted Fermi level enhance the electron extraction capability of Sn3O4and built‐in potential in PSCs. By doping the Sn3O4ETL with Y, the power conversion efficiency of PSCs is successfully boosted to 23.05%.image
How immigration affects the welfare state in the short and long run: Differences between social spending and policy generosity
Authors: Römer Friederike 
Published: March 2022

AbstractTo assess how immigration affects welfare states, studies have mainly used social expenditure as an indocator of welfare state strength, with inconclusive results. Furthermore, the relationship between immigration and different social policy fields has been mostly overlooked, and temporal dynamics have often been ignored. Using data on 21 OECD countries 1980–2010, this paper tests how immigration relates to (a) social expenditures, and (b) generosity of policy in regard to unemployment benefits and public pensions. Using dynamic and static panel models and controlling for relevant structural factors there is evidence for a robust and significant negative association between net migration and spending in the short term, with no evidence that migration increases social spending in later years. Some evidence is found for the compensation hypothesis, i.e., a positive association between net migration and unemployment generosity. A robust positive association was also found for net migration and pension generosity. There is thus little support that migration has a burdening or undermining effect on the welfare state.
Experimental investigation and numerical modeling of rocking cross laminated timber walls on a flexible foundation
Authors: Wichman Sarah , Berman Jeffrey W. , Pei Shiling 
Published: March 2022

AbstractWith recent developments of engineered wood products such as cross laminated timber, mass timber buildings in areas of high seismicity are becoming feasible and offer benefits such as faster construction and unique architectural features. It has also opened the door to creating seismically resilient lateral systems that sustain minor and reparable damage during large earthquakes. This paper presents a numerical modeling procedure for mass timber rocking wall lateral system with distributed spring elements to model base rocking. This modeling technique was validated by comparing the behavior with results from the full‐scale two‐story shake table test on a mass timber building with coupled CLT rocking walls completed as part of the NHERI TallWood Project. Although the lateral system performed better than expected during testing, it was determined that the flexibility of the foundation actually limited damage to the rocking wall panels. By adjusting the numerical model to represent a rigid foundation boundary condition, it was determined that the wall system would have experienced more damage, but would have still met design performance objectives had it been tested on a rigid foundation.