bluuebunny/crossref_metadata_2025_split huggingface dataset:
Metal‐Halide Perovskite Crystallization Kinetics: A Review of Experimental and Theoretical Studies
Authors: Xie Yue‐Min , Xue Qifan , Yip Hin‐Lap 
Published: May 2021

AbstractMetal‐halide perovskites (MHPs) are regarded as ideal photovoltaic materials because of their variable crystal material composition and superb optoelectronic performance. However, this compositional variability results in a complicated crystallization process during MHP film fabrication, leading to reduced MHP film crystallinity and decreased performance of devices containing such films. The crystallization kinetics of MHPs have therefore been extensively explored in efforts to determine the effect of crystallization properties on MHP film properties and figure out the corresponding modulating strategies. Here, the first comprehensive review of reported studies on the crystallization properties of 3D MHPs is presented. The experimental and theoretical research on 3D MHP crystallization kinetics is systematically surveyed, and the methods that are used for modulating MHP crystallization are summarized, namely, solution engineering, compositional engineering, interfacial engineering, and additive passivation. Meanwhile, the prospects and current challenges in revealing perovskite crystallization kinetics are suggested.
A clinico‐pathological study of geriatric anemias
Authors: Agravat Amit H. , Pujara Krupal , Kothari Ravi Kiritkumar , Dhruva Gauravi A. 
Published: May 2021

AbstractIntroductionAnemia in the older age (e.g., >60 years) is a major health problem in India and many parts of the world since it signifies an underlying disease and is associated with poor clinical outcome like increased morbidity and affects health‐related quality of life. Since symptoms like fatigue or shortness of breath related to anemia could also be attributed to the aging process, anemia is often easily overlooked in the elderly.Aims and objectivesClinico‐hematological patterns and morphological types of anemia in older age (e.g. >60 years) are manifold, hence this study was undertaken to determine them and to know more about associated disorders.Materials and methodologyThe present study was conducted on a sample size of 1257 patients who were 60 years and above and clinically diagnosed as anemic. Routine haematological investigations including peripheral blood smear examination and complete hemogram were done. Special investigations like bone‐marrow examination and iron studies were done whenever required.ResultsMales (aged >60 years) were more affected than females (aged >60 years) and patients in the age group of 60–69 years were affected the most. The most common presenting symptom was generalized weakness. The most common morphological type was normocytic normochromic anemia, and chronic diseases were the commonest etiological factors.ConclusionIn spite of modern diagnostic advances, geriatric anemias still remain under‐reported and inadequately investigated, necessitating evaluation of even mild anemias. Prompt diagnosis and definite categorization helps in appropriate management of anemias.
Childhood onset nexilin dilated cardiomyopathy: A heterozygous and a homozygous case
Authors: Bruyndonckx Luc , Vogelzang Judith L. , Bugiani Marianna , Straver Bart , Kuipers Irene M. , Onland Wes , Nannenberg Eline A. , Clur Sally‐Ann , & van der Crabben Saskia N. 
Published: May 2021

AbstractPathogenic heterozygous NEXN variants are associated with progressive dilated cardiomyopathy (DCM) usually presenting around 50 years of age. We describe an asymptomatic boy who had transient DCM at 3 months of age, that resolved by 4 months. Presently, at 11 years of age, he has normal cardiac function with signs of mild DCM on cardiac MRI. Genetic diagnostics revealed a paternally derived, heterozygous 1949_1951del class 4 variant in NEXN. His father had mild DCM with mildly reduced systolic function. The second patient presented with fetal hydrops at 33 weeks gestation requiring emergency caesarian delivery. Postnatally she required ventilation and continuous inotropic support for left ventricle systolic dysfunction. She died after 2 weeks when therapy was withdrawn. Homozygous c.1174C > T,p.(R392*) class 4 variants in the NEXN gene were found via WES. Microscopic investigation showed endomyocardial fibroelastosis. Her parents, both heterozygous carriers, had normal cardiac function and the family history was normal. These patients show a new clinical spectrum of pediatric cardiac disease seen in heterozygous and homozygous NEXN variants, ranging from mild, transient DCM to a severe, fatal neonatal DCM. These patients support the inclusion of the NEXN gene in the investigation of pediatric patients with DCM, even in cases with transient DCM.
Direct 1,2‐Oxosulfenylation of Acetylenic Sulfones with DMSO
Authors: Fu Duo , Dong Jun , Wang Jiayi , Xu Jiaxi 
Published: May 2021

AbstractDirect 1,2‐oxosulfenylation of acetylenic sulfones with dimethyl sulfoxide (DMSO) is realized under microwave irradiation. The current method provides a direct and efficient route to synthesize β‐keto thiosulfones from acetylenic sulfones and DMSO, featuring metal‐free, low cost, and convenient advantages. The mechanistic investigations indicate that acetylenic sulfones first react with DMSO to generate sulfonium ylides through the nucleophilic addition, cyclization, and 4e ring opening. The sulfonium ylides and the DMSO‐generated dimethyl sulfide at the aid of the ylides undergo a radical process to form β‐keto thiosulfones under heating.
Transcriptome reveal the response to Cry1Ac toxin in susceptible Bombyx mori
Authors: Qin Sheng , Zhang Shu , Sun Xia , Kong Yunhui , Hou Chengxiang , Li Muwang 
Published: May 2021

AbstractBombyx mori as a representative in Lepidoptera is an important economic insect in agriculture production. Bacillus thuringiensis (Bt) is a bacterial pathogen in silkworm production. Understanding how silkworm respond to Bt‐toxin can provide guidance to cultivate resistant silkworm strains. Cry1Ac is one type of Bt‐toxin. In current research, Dazao, a susceptible B. mori strain to Bt‐toxin, was treated by Cry1Ac toxin and compared its transcriptome with untreated samples. This analysis detected 1234 differentially expressed genes (DEGs). Gene Ontology, KEGG, and UniProt keyword enrichment analysis showed that DEGs include ATP‐binding cassette (ABC) transporter, stress response, cuticle, and protein synthesis, and folding process. Five ABC genes were upregulated after Cry1Ac treatment including ABCA2, ABCA3, and ABCC4. They are also known as the transporters of Bt‐toxin in lepidopteran insect. Expression of cuticle proteins was significantly increased at 6 h after Cry1Ac treatment. Sex‐specific storage‐proteins and heat shock protein were also upregulated in Cry1Ac treated samples. Our data provide an expression profile about the response of Cry1Ac toxin in susceptible B. mori strain.
Recent Advances in Late‐Stage Construction of Stapled Peptides via C−H Activation
Authors: Liu Jiang , Wang Peng , Yan Zhengqing , Yan Jiahui , Kenry  , Zhu Qing 
Published: May 2021

AbstractStapled peptides have been widely applied in many fields, including pharmaceutical chemistry, diagnostic reagents, and materials science. However, most traditional stapled peptide preparation methods rely on prefunctionalizations, which limit the diversity of stapled peptides. Recently, the emergence of late‐stage transition metal‐catalyzed C−H activation in amino acids and peptides has attracted wide interest due to its robustness and applicability for peptide stapling. In this review, we summarize the methods for late‐stage construction of stapled peptides via transition metal‐catalyzed C−H activation.
Detection and prediction of active ingredients in fingerprints of traditional Chinese medicine from a high‐dimensional perspective
Authors: Xia Wenjun , Su Liwen , Lai Peng 
Published: May 2021

AbstractHigh‐dimensional problems exist in various fields of medicine. Data analysis of medical data from a high‐dimensional perspective brings new challenges for researchers. This paper intends to analyze the fingerprints of Shanxiangyuan to detect its antioxidant active ingredients and establish a predictive model from performance indicators to its antioxidant. A data fusion method based on the Maximum Entropy model is proposed, which solves the problem that the results are not stable at multiple wavelengths. And a model averaging strategy under the two structures of nested structure and sequential structure is utilized with considering the mallows criterion, the Jackknife criterion, and the Akaike information, which not only has a good effect on the simulation data but can also reduce the prediction error of Shanxiangyuan's antioxidant value. Furthermore, this paper gives a strong correlation index of the antioxidant capacity of Shanxiangyuan according to the model averaging method.
Hydrogen Bond Acceptor Propensity of Different Fluorine Atom Types: An Analysis of Experimentally and Computationally Derived Parameters
Authors: Vulpetti Anna , Dalvit Claudio 
Published: May 2021

AbstractThe propensity of organic fluorine acting as a weak hydrogen bond acceptor (HBA) in intermolecular and intramolecular interactions has been the subject of many experimental and theoretical studies often reaching different conclusions. Over the last few years, new and stronger evidences have emerged for the direct involvement of fluorine in weak hydrogen bond (HB) formation. However, not all the fluorine atom types can act as weak HBA. In this work, the differential HBA propensity of various types of fluorine atoms was analyzed with a particular emphasis for the different types of alkyl fluorides. This was carried out by evaluating ab initio computed parameters, experimental 19F NMR chemical shifts and small molecule crystallographic structures (extracted from the CSD database). According to this analysis, shielded (with reference to the 19F NMR chemical shift) alkyl mono‐fluorinated motifs display the highest HBA propensity in agreement with solution studies. Although much weaker than other well‐characterized HB complexes, the fragile HBs formed by these fluorinated motifs have important implications for the chemical‐physical and structural properties of the molecules, chemical reactions, and protein–ligand recognition.
Carbazole‐ and Fluorene‐Fused Aza‐BODIPYs: NIR Fluorophores with High Brightness and Photostability
Authors: Rappitsch Tanja , M. Borisov Sergey 
Published: May 2021

AbstractThree new aza‐BODIPY dyes incorporating fused fluorene or carbazole moieties have been prepared. The dyes show significant enhancement of photophysical properties compared to the parent 1,3,5,7‐tetraphenyl aza‐BODIPY (TPAB): a bathochromic shift of the absorption maximum (up to 2700 cm−1) and emission maximum (up to 2270 cm−1); an almost threefold increase in molar absorption coefficients (to ca. 230 000 M−1 cm−1) and a significant increase in the fluorescence quantum yield to 49–66 %. Owing to the combination of these properties, the new aza‐BODIPY dyes belong to the brightest NIR dyes reported. The dyes also show excellent photostability. Due to their outstanding properties, the new dyes represent a promising platform for further exploration in biomedical research. A pH indicator containing only one fused carbazole unit was also prepared and shows absorption and emission spectra that are bathochromically shifted by about 110 and 100 nm, respectively, compared to the indicator dye based on the TPAB chromophore.
Diazotype – An imaging procedure using diazonium salts
Authors: Ducci Matthias 
Published: May 2021

AbstractDie Diazotypie ist ein Lichtpausverfahren, welches bis etwa 1990 in den Ingenieurwissenschaften Anwendung fand, da es besonders für die Vervielfältigung technischer Zeichnungen geeignet ist. Es beruht auf der Azokupplung und der Lichtempfindlichkeit von Diazoniumsalzen. Im vorliegenden Beitrag wird das Prinzip der Diazotypie zunächst kurz erläutert. Anschließend werden neue (Modell)Experimente mit überraschenden Phänomenen präsentiert und ein Erkenntnisweg vorgeschlagen, wie die interessante Thematik forschend‐entwickelnd in den Chemieunterricht der Sek. II sowie in die Hochschullehre implementiert werden kann.
A Tool for Accurate Stoichiometric Composition of Cryopreservative Media for Fetal and Induced Pluripotent Stem Cell‐Derived Human Neural Stem Cells
Authors: Niles Walter D. , Snyder Evan Y. 
Published: May 2021

AbstractFetal human neural stem cells (fhNSC) are of considerable interest as potential regenerative therapies for neuronal or glial degeneration or destruction resulting from genetic abnormalities, disease, or injury. Realization of this potential requires securing a supply of cells sufficient to meet the needs of transplantation, which are often tens to hundreds of millions of cells per dose. This challenge necessitates the establishment of safe and efficient cell banking protocols. Cryopreservation, involving the slow freezing or vitrification of cells, enables storage of fhNSC for prolonged periods, while maintaining their viability and multipotency required for clinical use. To optimize cryopreservation of fhNSC, attention has become focused on the composition of the medium used to effect cryopreservation by slow freezing/vitrification—i.e., the cryopreservative medium. The cryopreservative medium is typically specified as a dilution of a concentrated cryoprotectant, such as dimethylsulfoxide or glycerol, in cell culture medium that is often combined with serum or another source of necessary growth factors. The present work is devoted to a computational tool for determining the composition of a cryopreservative medium that can be combined with dissociated fhNSC resuspended in a certain volume of culture medium to achieve the criterion of stoichiometric dilution of cryoprotectant favorable to cell viability in the final mixture of cryopreservative medium and cells. © 2021 Wiley Periodicals LLC.Basic Protocol: Culture and passage of fhNSC, counting of enzymatically dissociated fhNSC, and quantitative formulation of cryomediumAlternate Protocol: Procedure when cell medium is not added to the cryomedium
A D2D assisted multi‐hop data dissemination protocol for inter‐UAV communication
Authors: Khan Mohammad Zubair , Rahim Muddasir , Javed Muhammad Awais , Ghabban Fahad , Ameerbakhsh Omair , Alfadli Ibrahim 
Published: May 2021

SummaryUnmanned aerial vehicles (UAVs) are key components of future Internet of Things as they facilitate efficient data sensing and transmission. However, UAVs will be sparsely placed and data dissemination among UAVs is a challenge. In this regard, cellular users can help to propagate the data between UAVs by using multi‐hop device‐to‐device (D2D) communication. A key challenge for multi‐hop D2D communication to support inter‐UAV communication is to select optimal forwarding D2D nodes that reduce the communication delay. In this paper, we propose a multi‐hop data dissemination protocol for inter‐UAV communication using D2D‐enabled user equipment (UEs). We consider factors such as channel quality and queuing delay to find suitable forwarding D2D nodes. To improve reliability of transmission, the proposed protocol selects forwarding nodes within a forwarding area where packets can be successfully received. Simulation results verify that the proposed protocol can reduce end‐to‐end delay and improve reliability of multi‐hop UAV data dissemination.
Using network analysis to compare diagnosis‐specific and age‐specific symptom networks in eating disorders
Authors: Schlegl Sandra , Smith Kathryn E. , Vierl Larissa , Crosby Ross D. , Moessner Markus , Neumayr Christina , Voderholzer Ulrich 
Published: May 2021

AbstractObjectiveThe network theory of mental disorders conceptualizes eating disorders (EDs) as networks of interacting symptoms. Network analysis studies in EDs mostly have examined transdiagnostic and/or mixed age samples. The aim of our study was to investigate similarities and differences of networks in adolescents and adults with anorexia nervosa (AN) or bulimia nervosa (BN).MethodParticipants were 2,535 patients (n = 991 adults with AN,n = 821 adolescents with AN,n = 473 adults with BN, andn = 250 adolescents with BN) who completed the Eating Disorder Inventory‐2. Twenty‐seven items were selected. Cross‐sectional networks were estimated via Joint Graphical Lasso. Core symptoms were identified using strength centrality. Spearman correlations and network comparison tests (NCTs) were used to compare groups.ResultsAcross diagnoses and ages, feeling ineffective, desire to be thinner, worries that feelings will get out of control, guilt after overeating as well as doing things perfectly emerged as most central symptoms. There were moderate to high correlations between symptom profiles (0.62–0.97, mean: 0.78) as well as high correlations between network structures (0.83–0.93, mean: 0.87) and network strengths (0.73–0.95, mean: 0.85). Global strength significantly differed in two of the six NCTs, and 2.5–10% of edges differed between networks.DiscussionConsiderable similarities in network structures and strengths across diagnoses and ages speak in favor of the transdiagnostic approach to EDs. Besides drive for thinness, ineffectiveness, emotion regulation difficulties, and perfectionism might be the most consistent factors in ED networks. These symptoms as well as their symptom connections should be especially focused in treatment regardless of age and diagnosis.
Isolation and expansion of thymus‐derived regulatory T cells for use in pediatric heart transplant patients
Authors: Romano Marco , Sen Monica , Scottà Cristiano , Alhabbab Rowa Y. , Rico‐Armada Andres , Lechler Robert I. , Burch Michael , Lombardi Giovanna 
Published: May 2021

AbstractRegulatory T‐cells (Tregs) are a subset of T cells generated in the thymus with intrinsic immunosuppressive properties. Phase I clinical trials have shown safety and feasibility of Treg infusion to promote immune tolerance and new studies are ongoing to evaluate their efficacy. During heart transplantation, thymic tissue is routinely discarded providing an attractive source of Tregs. In this study, we developed a GMP‐compatible protocol for expanding sorted thymus‐derived CD3+CD4+CD25+CD127– (Tregs) as well as CD3+CD4+CD25+CD127–CD45RA+ (RA+Tregs) cells. We aimed to understand whether thymic RA+Tregs can be isolated and expanded offering an advantage in terms of stability as it has been previously shown for circulating adult CD45RA+ Tregs. We show that both Tregs and RA+Tregs could be expanded in large numbers and the presence of rapamycin is essential to inhibit the growth of IFN‐γ producing cells. High levels of FOXP3, CTLA4, and CD25 expression, demethylation of the FOXP3 promoter, and high suppressive ability were found with no differences between Tregs and RA+Tregs. After freezing and thawing, all Treg preparations maintained their suppressive ability, stability, as well as CD25 and FOXP3 expression. The number of thymic Tregs that could be isolated with our protocol, their fold expansion, and functional characteristics allow the clinical application of this cell population to promote tolerance in pediatric heart transplant patients.
Asymmetric Synthesis of α‐Difluorinated β‐Amino Sulfones through Detrifluoroacetylative Mannich Reactions
Authors: Li Ziyi , Wang Nana , Mei Haibo , Konno Hiroyuki , Soloshonok Vadim A. , Han Jianlin 
Published: May 2021

AbstractAsymmetric detrifluoroacetylative Mannich reactions between α‐fluorinated arylsulfonyl gem‐diols and fluoroalkyl imines have been developed under operationally convenient conditions. Varieties of α‐fluorinated arylsulfonyl gem‐diols and fluoroalkyl imines are well tolerated with the corresponding α‐difluorinated β‐amino sulfone products generated in moderate to excellent yields as well as high diastereoselectivity. The reaction can be reproduced on gram‐scale with uncompromised yield and stereochemical outcome. The synthetic value of the products is demonstrated by two transformations by means of desulfonylation and removal of the sulfinyl protecting‐group.
4‐(Di‐/Trifluoromethyl)‐2‐heterabicyclo[2.1.1]hexanes: Advanced Fluorinated Phenyl Isosteres and Proline analogues
Authors: Homon Anton A. , Hryshchuk Oleksandr V. , Mykhailenko Olha V. , Vashchenko Bohdan V. , Melnykov Kostiantyn P. , Michurin Oleg M. , Daniliuc Constantin G. , Gerus Igor I. , Kovtunenko Volodymyr O. , Kondratov Ivan S. , Grygorenko Oleksandr O. 
Published: May 2021

AbstractA gram‐scale synthesis, physico‐chemical characterization, and lead‐likeness assessment of 4‐di/trifluoromethyl‐2‐heterabicyclo[2.1.1]hexanes as fluorinated bicyclic proline analogues and phenyl isosteres are disclosed. The key step of the synthesis included iodocyclization of fluorinated 3‐hydroxy‐/3‐aminomethyl methylenecyclobutanes; with the amino derivatives, the reaction was accompanied with carboxylation and further cyclization. Apart from the corresponding 4‐di/trifluoromethyl‐2,4‐methanoprolines, a series of fluorinated oxabicyclo[2.1.1]hexane‐derived building blocks relevant to medicinal chemistry (i. e. primary iodides, carboxylic acids, alcohols, azides, primary amines, sulfonyl chlorides, and alkynes) were prepared. For representative derivatives of the resulting fluorinated 2‐oxabicyclo[2.1.1]hexanes, pKa and logP values were measured to clarify their potential as the possible phenyl isosteres. Apart from the somewhat increased acidity, fine‐tuned lipophilicity intermediate between that of non‐fluorinated or aromatic counterparts was observed. Finally, the potential of the title building blocks was demonstrated by generation of virtual compound libraries using the LLAMA software. The resulting libraries fitted perfectly the lead‐like chemical space, had higher three‐dimensionality, and showed lower mean lead‐likeness penalty as compared to those obtained from either non‐fluorinated or aromatic derivatives.
Cultural orientations and strategic capability for the adoption of building information modeling in construction firms
Authors: Zakariyyah Kudirat Ibilola , John Iniobong Beauty , Ijaola Irewolede Aina 
Published: May 2021

AbstractDigitalization is redefining products and business models worldwide. This places a demand for transformation in a firm's organizational culture and strategy. This study thus assesses the cultural orientations and strategic capability required for the adoption of building information modeling (BIM) in construction firms as a platform for the enhancement of digital transformation. It examines the prevalence of the orientations and capability, evaluates the relationship among cultural orientations, strategic capability, and BIM adoption as well as predicts a model of BIM adoption from culture and strategy. Data were collected through questionnaires administered to top management staff in construction firms in Lagos State. Factor Analysis, Correlation, and Regression were the adopted statistical tools. The results revealed production, task accomplishment, innovative construction process, workforce, knowledge management, environmental, founder's belief as well as conflict resolution as the prevalent cultural orientations. The availability of resources to communicate, interact, and collaborate digitally as well as leadership capability to organize and coordinate digitally are the top two strategic capabilities. Despite the respondents' level of agreement on the constructs; culture and strategic capability contribute 18% of the BIM model. The study concludes that the more the firms' leadership interacts with digitally oriented clients, embeds digitalization in a mission statement, and adopts innovative construction processes, the better the BIM adoption. It is recommended that the firms' leadership develop or re‐configure an innovative culture and re‐strategize construction activities digitally by adopting BIM which can be turned into a dynamic capability for firm improvement and competitiveness.