bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigating genetic diversity in admixed populations from Ecuador
Authors: Flores‐Espinoza Rodrigo , Paz‐Cruz Elius , Ruiz‐Pozo Viviana A. , Lopez‐Carrera Marcelo , Cabrera‐Andrade Alejandro , Gusmão Leonor , Burgos German
Published: June 2021

Objectives

According to demographic history, Ecuador has experienced shifts in its Native American populations caused by European colonization and the African slave trade. The continuous admixture events among Europeans, Native Americans, and Africans occurred differently in each region of the country, producing a stratified population. Thus, the aim of this study was to investigate the level of genetic substructure in the Ecuadorian Mestizo population.

Materials and methods

A total of 377 male and 209 female samples were genotyped for two sets of X‐chromosomal markers (32 X‐Indels and 12 X‐STRs). Population analyses performed included Hardy–Weinberg equilibrium tests, LD analysis, PCA, pairwise FSTs, and AMOVA.

Results

Significant levels of LD were observed between markers separated by distances of less than 1 cM, as well as between markers separated by distances varying from 10.891 to 163.53 cM. Among Ecuadorian regions, Amazonia showed the highest average R2 value.

Discussion

When X‐chromosomal and autosomal differentiation values were compared, a sex‐biased admixture between European men and Native American and African women was revealed, as well as between African men and Native American women. Moreover, a distinct Native American ancestry was discernible in the Amazonian population, in addition to sex‐biased gene flow between Amazonia and the Andes and Pacific coast regions. Overall, these results underline the importance of integrating X chromosome information to achieve a more comprehensive view of the genetic and demographic histories of South American admixed populations.
Thiophen‐basierte konjugierte acetylenische Polymere mit dualen aktiven Zentren für effiziente Cokatalysator‐freie photoelektrochemische Wasserreduktion im alkalischen Medium
Authors: Borrelli Mino , Querebillo Christine Joy , Pastoetter Dominik L. , Wang Tao , Milani Alberto , Casari Carlo , Khoa Ly Hoang , He Fan , Hou Yang , Neumann Christof , Turchanin Andrey , Sun Hanjun , Weidinger Inez M. , Feng Xinliang
Published: June 2021

Konjugierte Polymere sind attraktive Materialien für die photoelektrochemische Wasserstoffentwicklungsreaktion (PEC‐HER) unter neutralen oder sauren Bedingungen. Jedoch zeigen sie im alkalischen Medium immer noch eine geringe PEC‐HER‐Leistung aufgrund des Fehlens von Wasserdissoziations‐Zentren. Hier zeigen wir, dass durch Anpassung des konjugierten acetylenischen Polymers (CAPs) von Poly(diethinylthieno[3,2‐b]thiophen) (pDET) zu Poly(2,6‐diethinylbenzo[1,2‐b:4,5‐b′]dithiophen (pBDT) und Poly(diethinyldithieno[3,2‐b:2′,3′‐d]thiophen) (pDTT) hocheffiziente aktive Wasserdissoziations‐Zentren in CAPs eingeführt werden können. Infolgedessen zeigen auf Cu‐Substrat gewachsene pDTT und pBDT Benchmark‐Photostromdichten von 170 μA cm−2 und 120 μA cm−2 (bei 0,3 V vs. RHE; pH 13), die 4,2‐ bzw. 3‐mal höher sind als die von pDET. DFT‐Rechnungen und elektrochemische Operando‐Resonanz‐Raman‐Spektroskopie zeigen, dass die elektronenangereicherten Cβ der äußeren Thiophenringe von pDTT die aktiven Zentren für die Wasserdissoziation sind, während die ‐C≡C‐Bindungen als aktive Zentren für die Wasserstoffentwicklung fungieren.
Nanoscale Chemical Imaging of Supported Lipid Monolayers using Tip‐Enhanced Raman Spectroscopy
Authors: Pandey Yashashwa , Kumar Naresh , Goubert Guillaume , Zenobi Renato
Published: June 2021

Visualizing the molecular organization of lipid membranes is essential to comprehend their biological functions. However, current analytical techniques fail to provide a non‐destructive and label‐free characterization of lipid films under ambient conditions at nanometer length scales. In this work, we demonstrate the capability of tip‐enhanced Raman spectroscopy (TERS) to probe the molecular organization of supported DPPC monolayers on Au (111), prepared using the Langmuir–Blodgett (LB) technique. High‐quality TERS spectra were obtained, that permitted a direct correlation of the topography of the lipid monolayer with its TERS image for the first time. Furthermore, hyperspectral TERS imaging revealed the presence of nanometer‐sized holes within a continuous DPPC monolayer structure. This shows that a homogeneously transferred LB monolayer is heterogeneous at the nanoscale. Finally, the high sensitivity and spatial resolution down to 20 nm of TERS imaging enabled reproducible, hyperspectral visualization of molecular disorder in the DPPC monolayers, demonstrating that TERS is a promising nanoanalytical tool to investigate the molecular organization of lipid membranes.
From Kinase Inhibitors to Multitarget Ligands as Powerful Drug Leads for Alzheimer's Disease using Protein‐Templated Synthesis
Authors: Nozal Vanesa , García‐Rubia Alfonso , Cuevas Eva P. , Pérez Concepción , Tosat‐Bitrián Carlota , Bartolomé Fernando , Carro Eva , Ramírez David , Palomo Valle , Martínez Ana
Published: June 2021

Multitarget directed ligands (MTDLs) are arising as promising tools to tackle complex diseases. The main goal of this work is to create powerful modulating agents for neurodegenerative disorders. To achieve this aim, we have combined fragments that inhibit key protein kinases involved in the main pathomolecular pathways of Alzheimer's disease (AD) such as tau aggregation, neuroinflammation and decreased neurogenesis, whilst looking for a third action in beta‐secretase (BACE1), responsible of β‐amyloid production. We obtained well‐balanced MTDLs with in vitro activity in three different relevant targets and efficacy in two cellular models of AD. Furthermore, computational studies confirmed how these compounds accommodate adequately into the long and rather narrow BACE1 catalytic site. Finally, we employed in situ click chemistry using BACE1 as protein template as a versatile synthetic tool that allowed us to obtain further MTDLs.
Das Kupfer‐Chaperon NosL bildet ein Heterometallzetrum für die Cu‐Abgabe an Distickstoffmonoxid‐Reduktase
Authors: Prasser Benedikt , Schöner Lisa , Zhang Lin , Einsle Oliver
Published: June 2021

Der letzte Schritt der Denitrifikation ist die Reduktion von Lachgas (N2O) zu N2, die durch die Cu‐abhängige Distickstoffmonoxid‐Reduktase (N2OR) vermittelt wird. Ihre Metallzentren, CuA und CuZ, werden durch die sequenzielle Bereitstellung von zwölf CuI‐Ionen durch ein Metall‐Chaperon assembliert, das Teil eines nos‐Genclusters ist, der das Enzym und seine akzessorischen Faktoren kodiert. Bei dem Chaperon handelt es sich um das nosL‐Genprodukt, ein 18 kDa Lipoprotein, von dem man annimmt, dass es sich in der äußeren Membran Gram‐negativer Bakterien befindet. Um den Zusammenbau von N2OR besser zu verstehen, haben wir NosL aus Shewanella denitrificans hergestellt und die Struktur des metallbeladenen Chaperons mittels Röntgenkristallographie bestimmt. Das Protein assembliert ein heterodinukleares Metallzentrum, bestehend aus ZnII und CuI, wie durch anomale Röntgenstreuung nachgewiesen werden konnte. Während nur CuI an das Enzym geliefert wird, ist die stabilisierende Anwesenheit von ZnII essentiell für die Funktionalität und strukturelle Integrität des Chaperons.
The Copper Chaperone NosL Forms a Heterometal Site for Cu Delivery to Nitrous Oxide Reductase
Authors: Prasser Benedikt , Schöner Lisa , Zhang Lin , Einsle Oliver
Published: June 2021

The final step of denitrification is the reduction of nitrous oxide (N2O) to N2, mediated by Cu‐dependent nitrous oxide reductase (N2OR). Its metal centers, CuA and CuZ, are assembled through sequential provision of twelve CuI ions by a metallochaperone that forms part of a nos gene cluster encoding the enzyme and its accessory factors. The chaperone is the nosL gene product, an 18 kDa lipoprotein predicted to reside in the outer membrane of Gram‐negative bacteria. In order to better understand the assembly of N2OR, we have produced NosL from Shewanella denitrificans and determined the structure of the metal‐loaded chaperone by X‐ray crystallography. The protein assembled a heterodinuclear metal site consisting of ZnII and CuI, as evidenced by anomalous X‐ray scattering. While only CuI is delivered to the enzyme, the stabilizing presence of ZnII is essential for the functionality and structural integrity of the chaperone.
Boosting Photocatalytic Water Oxidation Over Bifunctional Rh0‐Rh3+ Sites
Authors: Liu Yuanwei , Wang Li Jie , Zhang Hao , Yuan Hai Yang , Zhang Qinghua , Gu Lin , Wang Hai Feng , Hu P. , Liu Peng Fei , Jiang Zheng , Yang Hua Gui
Published: June 2021

Photocatalytic water splitting provides an economically feasible way for converting solar energy into hydrogen. Great efforts have been devoted to developing efficient photocatalysts; however, the surface catalytic reactions, especially for the sluggish oxygen evolution reaction (OER), still remain a challenge, which limits the overall photocatalytic energy efficiency. Herein, we design a Rhn cluster cocatalyst, with Rh0‐Rh3+ sites anchoring the Mo‐doped BiVO4 model photocatalytic system. The resultant photocatalyst enables a high visible‐light photocatalytic oxygen production activity of 7.11 mmol g−1 h−1 and an apparent quantum efficiency of 29.37 % at 420 nm. The turnover frequency (TOF) achieves 416.73 h−1, which is 378 times higher than that of the photocatalyst only with Rh3+ species. Operando X‐ray absorption characterization shows the OER process on the Rh0‐Rh3+ sites. The DFT calculations further illustrate a bifunctional OER mechanism over the Rh0‐Rh3+ sites, in which the oxygen intermediate attacks the Rh3+ sites with assistance of a hydrogen atom transfer to the Rh0 sites, thus breaking the scaling relationship of various oxygen intermediates.
Effect of Ce doping on the catalytic performance of xNiCeOy@SiO2 catalysts for dry reforming of methane
Authors: Lu Yao , Wang Ruilei , Zhao Yujun , Wang Shengping , Ma Xinbin
Published: June 2021

A series of xNiCeOy@SiO2 catalysts with different cerium contents were prepared by hydrothermal coprecipitation and Stöber method. The results of catalytic performance showed that 15NiCeOy@SiO2 has the best catalytic activity with the methane conversion of 81.1% and the specific activity of the catalyst (the amount of methane converted per mol Ni per minute) of 1.14. 10NiCeOy@SiO2 exhibits the highest stability, with the methane conversion remaining unchanged within 40 h. Compared with the undoped Ni@SiO2 catalyst, the enhancement of the activity can be attributed to the reduction of the Ni particle size due to the doping of Ce, which enabled more exposure of active species. Meanwhile, the oxygen vacancies originating from extrinsic defects of ceria increase the reaction rate of activated carbon and CO2, inhibit carbon deposition, and accelerate the structure stability.
Effect of the interphase properties on the fracture energy and fatigue behavior of thermoset resins containing spherical fillers
Authors: Khezri Jamal , Rash‐Ahmadi Samrand , Alizadeh Kaklar Javad
Published: June 2021

Interphase region in polymer based nanocomposites is a very thin layer that is created between the reinforcing phase and the matrix surface due to reaction forces between the nanoparticles and the matrix. The ability to determine the behavior of the interphase region can facilitate the understanding and prediction of the fracture toughness and fatigue behavior through multiscale modeling. In the present study, by using the fully analytical multiscale hierarchical modeling method, fracture toughness and also fatigue behavior of thermoset resins containing spherical fillers with consideration the influences of the main damage mechanisms and interphase properties (thickness and elastic modulus of the interphase region) were investigated. The novelty of this investigation is that it enables the application of a range of properties to the interphase zone and describes a technique for multiscale modeling based on this interphase zone. The present multiscale approach quantifies the dissipation energy due to main damage mechanisms at the nanoscale and accounts for the emergence of an interphase region as functionally graded (FG) properties surrounding nanofillers. Modeling of FG interphase power‐varying properties, the derivation of governing equations, and the evaluation of the findings, all are parts of the achievements of this research. In addition, multiscale analyses have been carried out on fracture energy and fatigue behavior in various fiber volume fractions with and without interphase properties. It was found that the fracture toughness and fatigue behavior are significantly dependent on the interphase elastic properties and thickness. Furthermore, the critical debonding stress and the fracture energy were assessed with various interfacial fracture energy, elastic modulus, and thickness of interphase. Finally, the accuracy of the utilized multiscale approach with consideration of interphase properties was verified by comparing the modeling results with experimental tests on thermoset resins containing spherical fillers.
Molecular dynamics simulation for investigating and assessing reaction conditions between carboxylated polyethersulfone and polyethyleneimine
Authors: Rahmati Mahmoud , Rajabzadeh Saeid , Abdelrasoul Amira , Kawabata Yuki , Yoshioka Tomohisa , Matsuyama Hideto , Mohammadi Toraj
Published: June 2021

Recently, nano‐filtration membranes are made by the reaction between a reactive functional group on the surface of a tight ultrafiltration membrane and a charged branched polymer. This reaction makes the selective layer of the nanofiltration membrane, which plays an essential role in membrane performance. A molecular dynamics simulation with a reactive force field was used to investigate the reaction of carboxylated polyethersulfone as the functional group of the ultrafiltration membrane with polyethyleneimine. Experimental elucidation of the reaction between the PEI amine and carboxyl groups is challenging, and an MD simulation was thus employed. Furthermore, the simulation results show that the PEI and carboxylated polyethersulfone polymers react with each other in a temperature‐dependent manner. While no reaction occurs at 298 K, carboxylated polyethersulfone and PEI begin to react when the temperature is increased from 298 to 323 K. Furthermore, a reversible reaction was observed with a subsequent increase in temperature to 353 K.
Connectivity and flow regime direct conservation priorities for pelagophil fishes
Authors: Mollenhauer Robert , Brewer Shannon K. , Perkin Joshuah S. , Swedberg Dusty , Wedgeworth Maeghen , Steffensmeier Zachary D.
Published: June 2021

Dam construction threatens global aquatic biodiversity by fragmenting stream networks and altering flow regimes. The negative effects of dams are exacerbated by increased drought periods and associated water withdrawals, especially in semi‐arid regions. Stream fishes are particularly threatened owing to their mobile nature and requirement for multiple habitats to complete their life cycles. An understanding of relationships with fragmentation and flow regimes, particularly as coarse‐scale (e.g. catchment) constraints on species distributions, is essential for stream fish conservation strategies.

Prairie chub (Macrhybopsis australis) is a small‐bodied minnow (Cyprinidae) with poorly understood ecology endemic to the North American Great Plains. Suspected declines in abundance and extirpations have resulted in conservation interest for prairie chub at state and federal levels. Prairie chub is thought to share its reproductive strategy with pelagic‐broadcast spawning minnows (pelagophils). Freshwater pelagic‐broadcast spawning fishes have been disproportionately affected by fragmentation and streamflow alteration globally.

Relationships of prairie chub occurrence with coarse‐scale fragmentation and streamflow metrics were examined in the upper Red River catchment. Occurrence probability was modelled using existing survey data, while accounting for variable detection. The modelled relationships were used to project the distribution of prairie chub in both a wet and dry climatic period.

The probability of prairie chub occurrence was essentially zero at sites with higher densities of upstream dams, but increased sharply with increases in flow magnitude, downstream open mainstem, and flood duration. The projected distribution of prairie chub was broader than indicated by naïve occurrence, but similar in both climatic periods. The occurrence relationships are consistent with the hypotheses of pelagic broadcast spawning and represent coarse‐scale constraints that are useful for identifying areas of the stream network with higher potential for finer‐scale prairie chub conservation and recovery efforts. In addition to informing pelagophil conservation, the relationships are also applicable to pelagic‐broadcast spawning fishes in marine environments.
Nonviral siRNA delivery systems for pancreatic cancer therapy
Authors: Aghamiri Shahin , Raee Pourya , Talaei Sam , Mohammadi‐Yeganeh Samira , Bayat Shiva , Rezaee Delsuz , Ghavidel Afshin A. , Teymouri Alireza , Roshanzamiri Soheil , Farhadi Shohreh , Ghanbarian Hossein
Published: June 2021

The serious drawbacks of the conventional treatment of pancreatic ductal adenocarcinoma (PDAC) such as nonspecific toxicity and high resistance to chemo and radiation therapy, have prompted the development and application of countless small interfering RNA (siRNA)‐based therapeutics. Recent advances in drug delivery systems hold great promise for improving siRNA‐based therapeutics and developing a new class of drugs, known as nano‐siRNA drugs. However, many fundamental questions, regarding toxicity, immunostimulation, and poor knowledge of nano‐bio interactions, need to be addressed before clinical translation. In this review, we provide recent achievements in the design and development of various nonviral delivery vehicles for pancreatic cancer therapy. More importantly, codelivery of conventional anticancer drugs with siRNA as a new revolutionary pancreatic cancer combinational therapy is completely discussed.
Technology transfer of a monitoring system to predict product concentration and purity of biopharmaceuticals in real‐time during chromatographic separation
Authors: Christler Anna , Scharl Theresa , Sauer Dominik G. , Köppl Johannes , Tscheließnig Anne , Toy Cabir , Melcher Michael , Jungbauer Alois , Dürauer Astrid
Published: June 2021

Technological developments require the transfer to their location of application to make use of them. We describe the transfer of a real‐time monitoring system for lab‐scale preparative chromatography to two new sites where it will be used and developed further. Equivalent equipment was used. The capture of a biopharmaceutical model protein, human fibroblast growth factor 2 (FGF‐2) was used to evaluate the system transfer. Predictive models for five quality attributes based on partial least squares regression were transferred. Six out of seven online sensors (UV/VIS, pH, conductivity, IR, RI, and MALS) showed comparable signals between the sites while one sensor (fluorescence) showed different signal profiles. A direct transfer of the models for real‐time monitoring was not possible, mainly due to differences in sensor signals. Adaptation of the models was necessary. Then, among five prediction models, the prediction errors of the test run at the new sites were on average twice as high as at the training site (model‐wise 0.9–5.7 times). Additionally, new prediction models for different products were trained at each new site. These allowed monitoring the critical quality attributes of two new biopharmaceutical products during their purification processes with mean relative deviations between 1% and 33%.
Preliminary examination of an insanity defense typology: Prevalence rates and correlates
Authors: Brown Kimberly P. , Wood Mary Elizabeth
Published: June 2021

The present investigation was designed to systematically examine the insanity defense typology proposed by Brown (2018) using a large sample of cases wherein there was support for the insanity defense. A total of 187 court‐ordered cases in which an insanity defense was supported were categorized based on the typology. The sample comprised of mostly single, middle‐aged males who had been charged with a felony and diagnosed with a psychotic disorder. About half the sample was ultimately adjudicated not guilty by reason of insanity by the court. About two‐thirds of the cases were categorized into one of the seven insanity defense subtypes using a coding scheme developed by the author of the typology. Inter‐rater agreement occurred 82% of the time. The most frequent subtype was Paranoid Self‐Defense, followed by “But It's Mine” and Paranoid Protection of Others. There were few differences among these subtypes based on demographic, clinical, offense, and outcome variables, except for presence of a primary psychotic disorder and offense type. Implications and ideas for future research are discussed.
The health and wellbeing of transgender and gender non‐conforming people of colour in the United States: A systematic literature search and review
Authors: Farvid Panteá , Vance Thomas A. , Klein Samantha L. , Nikiforova Yekaterina , Rubin Lisa R. , Lopez Felix G.
Published: June 2021

Transgender and gender non‐conforming people (TGNC), individuals whose gender identity differs from the sex they were assigned at birth, experience unique stressors, discrimination, and barriers to health and wellbeing. TGNC People of Colour (POC) navigate the nexus of racism, cisgenderism (and often homophobia) in their daily lives, resulting in uniquely intersecting forms of discrimination, and pronounced disparities in their health and well‐being. In order to examine the current state of knowledge about the health and wellbeing of TGNC POC, we conducted a systematic search and review of peer‐reviewed journal articles published between 1 January 2010 and 1 May 2020 that focused on this population. A systematic search identified (3,575) papers, with 76 of those meeting full inclusion criteria. In our review, we were able to identify physical health and psychological wellbeing (which included resilience), as core clusters of research focused on TGNC POC. We identified specific factors that hindered physical and psychological health (what we call “push” factors) as well as those that promoted it (what we call “pull” factors). Leveraging these findings, we offer ways forward for best practice in clinical work and carrying out research with this population. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
The Innate Immune Glycoprotein Lactoferrin Represses the Helicobacter pylori cag Type IV Secretion System
Authors: Lu Jacky , Haley Kathryn P. , Francis Jamisha D. , Guevara Miriam A. , Doster Ryan S. , Craft Kelly M. , Moore Rebecca E. , Chambers Schuyler A. , Delgado Alberto G. , Piazuelo Maria Blanca , Damo Steven M. , Townsend Steven D. , Gaddy Jennifer A.
Published: June 2021

Chronic infection with Helicobacter pylori increases risk of gastric diseases including gastric cancer. Despite development of a robust immune response, H. pylori persists in the gastric niche. Progression of gastric inflammation to serious disease outcomes is associated with infection with H. pylori strains which encode the cag Type IV Secretion System (cag T4SS). The cag T4SS is responsible for translocating the oncogenic protein CagA into host cells and inducing pro‐inflammatory and carcinogenic signaling cascades. Our previous work demonstrated that nutrient iron modulates the activity of the T4SS and biogenesis of T4SS pili. In response to H. pylori infection, the host produces a variety of antimicrobial molecules, including the iron‐binding glycoprotein, lactoferrin. Our work shows that apo‐lactoferrin exerts antimicrobial activity against H. pylori under iron‐limited conditions, while holo‐lactoferrin enhances bacterial growth. Culturing H. pylori in the presence of holo‐lactoferrin prior to co‐culture with gastric epithelial cells, results in repression of the cag T4SS activity. Concomitantly, a decrease in biogenesis of cag T4SS pili at the host‐pathogen interface was observed under these culture conditions by high‐resolution electron microscopy analyses. Taken together, these results indicate that acquisition of alternate sources of nutrient iron plays a role in regulating the pro‐inflammatory activity of a bacterial secretion system and present novel therapeutic targets for the treatment of H. pylori‐related disease.
Communication of Bichromophore Emission upon Aggregation – Aroyl‐S,N‐ketene Acetals as Multifunctional Sensor Merocyanines
Authors: Biesen Lukas , May Lars , Nirmalananthan‐Budau Nithiya , Hoffmann Katrin , Resch‐Genger Ute , Müller Thomas J. J.
Published: June 2021

Aroyl‐S,N‐ketene acetal‐based bichromophores can be readily synthesized in a consecutive three‐component synthesis in good to excellent yields by condensation of aroyl chlorides and an N‐(p‐bromobenzyl) 2‐methyl benzothiazolium salt followed by a Suzuki coupling, yielding a library of 31 bichromophoric fluorophores with substitution pattern‐tunable emission properties. Varying both chromophores enables different communication pathways between the chromophores, exploiting aggregation‐induced emission (AIE) and energy transfer (ET) properties, and thus, furnishing aggregation‐based fluorescence switches. Possible applications range from fluorometric analysis of alcoholic beverages to pH sensors.
Asymmetric Spirobiacridine‐based Delayed Fluorescence Emitters for High‐performance Organic Light‐Emitting Devices
Authors: Arai Hiroki , Sasabe Hisahiro , Tsuneyama Hisaki , Kumada Kengo , Kido Junji
Published: June 2021

Invited for the cover of this issue is Hisahiro Sasabe, Junji Kido and co‐workers at Yamagata University in Japan. This image depicts that the chemical structure of the acceptor is one of the most important keys to maximize the potential of triazine/acridine‐based thermally activated delayed fluorescence (TADF) emitters realizing high external quantum efficiency (EQE) of over 30%. Read the full text of the article at 10.1002/chem.202101188.
Germyliumylidene: A Versatile Low Valent Group 14 Catalyst
Authors: Sarkar Debotra , Dutta Sayan , Weetman Catherine , Schubert Emeric , Koley Debasis , Inoue Shigeyoshi
Published: June 2021

Bis‐NHC stabilized germyliumylidenes [RGe(NHC)2]+ are typically Lewis basic (LB) in nature, owing to their lone pair and coordination of two NHCs to the vacant p‐orbitals of the germanium center. However, they can also show Lewis acidity (LA) via Ge−CNHC σ* orbital. Utilizing this unique electronic feature, we report the first example of bis‐NHC‐stabilized germyliumylidene [MesTerGe(NHC)2]Cl (1), (MesTer=2,6‐(2,4,6‐Me3C6H2)2C6H3; NHC= IMe4=1,3,4,5‐tetramethylimidazol‐2‐ylidene) catalyzed reduction of CO2 with amines and arylsilane, which proceeds via its Lewis basic nature. In contrast, the Lewis acid nature of 1 is utilized in the catalyzed hydroboration and cyanosilylation of carbonyls, thus highlighting the versatile ambiphilic nature of bis‐NHC stabilized germyliumylidenes.
GEASI: Geodesic‐based earliest activation sites identification in cardiac models
Authors: Grandits Thomas , Effland Alexander , Pock Thomas , Krause Rolf , Plank Gernot , Pezzuto Simone
Published: June 2021

The identification of the initial ventricular activation sequence is a critical step for the correct personalization of patient‐specific cardiac models. In healthy conditions, the Purkinje network is the main source of the electrical activation, but under pathological conditions the so‐called earliest activation sites (EASs) are possibly sparser and more localized. Yet, their number, location and timing may not be easily inferred from remote recordings, such as the epicardial activation or the 12‐lead electrocardiogram (ECG), due to the underlying complexity of the model. In this work, we introduce GEASI (Geodesic‐based Earliest Activation Sites Identification) as a novel approach to simultaneously identify all EASs. To this end, we start from the anisotropic eikonal equation modeling cardiac electrical activation and exploit its Hamilton–Jacobi formulation to minimize a given objective function, for example, the quadratic mismatch to given activation measurements. This versatile approach can be extended to estimate the number of activation sites by means of the topological gradient, or fitting a given ECG. We conducted various experiments in 2D and 3D for in‐silico models and an in‐vivo intracardiac recording collected from a patient undergoing cardiac resynchronization therapy. The results demonstrate the clinical applicability of GEASI for potential future personalized models and clinical intervention.
A nature‐inspired meta‐heuristic paradigm for person identification using multimodal biometrics
Authors: Mohan Vijay , Ganesan Indumathi
Published: June 2021

Because of the expanding improvement of the internet, security toward individual data has gotten more significant in recent decades. Due to the increasing development of the internet, security toward personal information has become more important in recent decades. Various person recognition methods are introduced for ensuring the security of a person's information. However identifying the information of the user using unique physiological characteristics poses a major issue in the biometric recognition system. Hence, an effective multimodal recognition system is developed using the proposed Elephant Deer Hunting Optimization‐based hybrid fusion (EDHO‐based hybrid fusion) model for person recognition. The proposed EDHO is designed by the integration of Elephant Herding Optimization and Deer Hunting Optimization Algorithm. Here, three different modalities, such as finger vein, dorsal hand vein, and electromyography (EMG) data are employed for the person recognition process. To increase the level of security, the hybrid feature fusion process is employed in such a way that features are fused based on the weight coefficients. The optimization algorithm is considered for the computation of the weight factor. However, the optimal weight value shows the optimal solution of person recognition in such a way that the computation of optimal value is based on the fitness measure. The proposed method achieved higher performance of accuracy as 0.963, True Negative Rate (TNR) as 0.9658, and True Positive rate (TPR) as 0.9548, respectively.
Rumination, worry and negative and positive affect in prolonged grief: A daily diary study
Authors: Eisma Maarten C. , Franzen Minita , Paauw Mabel , Bleeker Anke , aan het Rot Marije
Published: June 2021

After bereavement, a significant minority experiences severe, persistent, and disabling grief, termed prolonged grief or complicated grief. Prolonged grief treatments may be enhanced by improving understanding of malleable risk factors in post‐loss psychological adaptation. Repetitive negative thought (e.g., rumination, worry) constitutes such a risk factor. Rumination and worry are both theorized to be maladaptive through interrelations with affect, yet this assumption has not been systematically investigated in the bereaved. We aimed to fill this gap in knowledge with a baseline survey and 10‐day daily diary investigation among a bereaved sample. Survey between‐subject analyses (N = 113) demonstrated that trait rumination and worry, trait negative affect and prolonged grief symptoms are positively related to each other and negatively related with trait positive affect. Within‐subject multilevel analyses of diaries (N = 62) demonstrated that trait rumination and trait worry relate positively to daily negative affect and negatively to daily positive affect. Daily rumination and worry showed similar relationships with daily negative and positive affect. A stronger relationship emerged between daily rumination and daily negative affect in people with higher prolonged grief symptom levels. Findings consistently support interrelations between repetitive negative thought, affect, and prolonged grief symptoms. Rumination appears particularly detrimental in people with severe grief reactions. Results align with research demonstrating the effectiveness of targeting repetitive negative thought in prolonged grief treatments. Additionally, our study demonstrates the potential feasibility and usefulness of using daily diaries to study behaviours of relevance to post‐loss adaptation in everyday life.
Immunophenotypic Analysis of Platelets by Flow Cytometry
Authors: Spurgeon Benjamin E.J. , Linden Matthew D. , Michelson Alan D. , Frelinger Andrew L.
Published: June 2021

Platelets are small but very abundant blood cells that play a key role in hemostasis, contributing to thrombus formation at sites of injury. The ability of platelets to perform this function, as well as functions in immunity and inflammation, is dependent on the presence of cell surface glycoproteins and changes in their quantity and conformation after platelet stimulation. In this article, we describe the characterization of platelet surface markers and platelet function using platelet‐specific fluorescent probes and flow cytometry. Unlike traditional platelet tests, immunophenotypic analysis of platelets by flow cytometry allows the analysis of platelet function in samples with very low platelet counts as often encountered in clinical situations. © 2021 Wiley Periodicals LLC.

Basic Protocol 1: Immunophenotyping of platelet surface receptors

Alternate Protocol: Fix‐first method for immunophenotyping of platelet surface receptors

Basic Protocol 2: Determination of platelet activation using P‐selectin expression and/or PAC1 binding

Basic Protocol 3: Determination of procoagulant platelets using annexin V binding or antibodies specific for coagulation factor V/Va or X/Xa

Support Protocol: Preparation of isolated platelets
Increased gene expression ofTIMP1andCHI3L1in fine‐needle aspiration biopsy samples from papillary thyroid cancer as compared to benign nodules
Authors: Dimitrova Inna , Shinkov Alexander , Dodova Rumyana , Ivanova Radina , Kirilov Georgi , Kyurkchiyan Silva , Kaneva Radka , Kovatcheva Roussanka
Published: June 2021

Background

Thyroid nodules are common ultrasound findings with malignancy rate 7%–15%. Our objective was to assess the relative expression of the tissue inhibitor of metalloproteinase‐1 gene (TIMP1) and chitinase‐3‐like protein 1 gene (CHI3L1) in fine‐needle aspiration biopsy (FNAB) washouts and the serum levels of their protein products (TIMP‐1 and chitinase‐3‐like protein 1 known as YKL‐40) in patients with papillary thyroid cancer (PTC) and patients with benign nodules. Furthermore, the correlation between gene expression and circulating protein product was evaluated.

Methods

Eighty patients who underwent FNAB in one tertiary center were recruited in the study. Forty with Bethesda V and VI nodules were operated and PTC was confirmed. The other 40 patients were with Bethesda II nodules. TIMP‐1 and YKL‐40 serum levels were measured in all subjects. The TIMP1 and CHI3L1 expression was assessed in FNAB washouts from 20 PTC patients and 20 benign cases using quantitative PCR.

Results

The relative expression of TIMP1 and CHI3L1 was significantly higher in the PTC group than in the benign group (p < .001 for TIMP1;p = .018 for CHI3L1). The PTC patients had higher serum TIMP‐1 than the patients with benign nodules (p = .036). We did not find significant difference in the YKL‐40 level between the two groups. TIMP1 and CHI3L1 expression did not correlate with the serum levels of their protein products.

Conclusion

FNAB washouts could be used for identification of diagnostic markers. The increased TIMP1 and CHI3L1 expression implies a role of these genes in the PTC carcinogenesis.
Determination of the enantiomeric composition of amphetamine, methamphetamine and 3,4‐methylendioxy‐N‐methylamphetamine (MDMA) in seized street drug samples from southern Germany
Authors: Losacker Moritz , Zörntlein Siegfried , Schwarze Bernd , Staudt Svenja , Röhrich Jörg , Hess Cornelius
Published: June 2021

Amphetamine (speed), methamphetamine (crystal meth), and 3,4‐methylenedioxy‐N‐methylamphetamine (MDMA, ecstasy) represent the most frequently abused amphetamine‐type stimulants (ATS). Differences in pharmacological potency and metabolism have been shown for the enantiomers of all three stimulants. Legal consequences in cases of drug possession may also differ according to the German law depending on the enantiomeric composition of the seized drug. Therefore, enantioselective monitoring of seized specimens is crucial for legal and forensic casework.

Various kinds of samples of amphetamine (n = 143), MDMA (n = 94), and methamphetamine (n = 528) that were seized in southern Germany in 2019 and 2020 were analyzed for their chiral composition using different chromatographic methods.

Whereas all samples of amphetamine and MDMA were racemic mixtures, the chiral composition of the methamphetamine specimens was diverse. Although the vast majority (n = 502) was present as (S)‐methamphetamine, also specimens containing pure (R)‐methamphetamine (n = 7) were found. Furthermore, few samples (n = 8) were of racemic nature or contained non‐racemic mixtures of both enantiomers (n = 10).

Because methamphetamine appears in varying enantiomeric compositions, any seizure should be analyzed using an enantioselective method. Amphetamine and MDMA, on the other hand, currently appear to be synthesized exclusively via racemic pathways and are not chirally purified. Nevertheless, regular monitoring of the chiral composition should be ensured.
Late phase of COVID‐19 pandemic in General Cardiology. A position paper of the ESC Council for Cardiology Practice
Authors: Richter Dimitrios , Guasti Luigina , Koehler Friedrich , Squizzato Alessandro , Nistri Stefano , Christodorescu Ruxandra , Dievart Francois , Gaudio Giovanni , Asteggiano Riccardo , Ferrini Marc
Published: June 2021

Cardiovascular (CV) engagement in coronavirus disease 2019 (COVID‐19) is a huge determinant of prognosis during the acute phase of the disease. However, little is known about the potential chronic implications of the late phase of COVID‐19 and about the appropriate approach to these patients. Heart failure, type 1 and type 2 myocardial infarction, arrhythmias, myocarditis, pulmonary fibrosis, and thrombosis have been shown to be related to severe acute respiratory syndrome coronavirus 2 infection, and a ‘long COVID‐19’ illness has been recognized with fatigue, chest pain, and dyspnoea among the most frequent symptoms reported after discharge from hospital. This paper focuses on some open questions that cardiologists are going to face during the next months in a general cardiology outpatient clinic, in particular how to evaluate a ‘post‐COVID’ patient during follow‐up of CV complications of the acute phase and how to manage new CV symptoms that could be the consequence, at least in part, of heart/vessels and/or lung involvement of the previous virus infection. Present symptoms and signs, history of previous CV disease (both preceding COVID‐19 and occurring during viral infection), and specific laboratory and imaging measurements during the acute phase may be of interest in focusing on how to approach the clinical evaluation of a post‐COVID patient and how to integrate in our standard of care the new information on COVID‐19, possibly in a multidisciplinary view. Dealing with the increased COVID‐associated CV risk burden and becoming acquainted with potential new e‐cardiology approaches aimed at integrating the cardiology practice are relevant new challenges brought by severe acute respiratory syndrome coronavirus 2 infection and its sequelae.
The Influence of Particle Size and Shape in Cobalt 2‐Methylimidazolate Polymers on Catalytic Properties
Authors: Díaz‐Duran Ana Katherine , Roncaroli Federico
Published: June 2021

The reaction products between in situ generated Co(OH)2 and 2‐methylimidazole were studied and characterized. Using 9 fold excess of ligand, the well studied polyhedral (dodecahedral) particles (1–3 μm diameter) of the zeolitic imidazolate framework were obtained, i. e. ZIF‐67. When a stoichiometric amount of 2‐methylimidazole was employed, amorphous spheres of ca 500 nm diameter were obtained with low dispersion in size. Both samples were pyrolyzed at 700 and 900 °C under inert atmosphere. The external morphology was kept, however TEM images of the spherical particles showed that they were mainly composed of carbon nanotubes. Co nanoparticles embedded in the carbonaceous matrix could be observed in both samples. The activity of the pyrolyzed (700 and 900 °C) acid leached samples towards the Oxygen Reduction Reaction was studied. Upon the same thermal treatment both types of samples showed similar electrokinetic parameters.
Direct Nucleophilic Substitution of Alcohols Using an Immobilized Oxovanadium Catalyst
Authors: Nishio Tomoya , Yoshioka Shin , Hasegawa Kai , Yahata Kenzo , Kanomata Kyohei , Akai Shuji
Published: June 2021

Direct nucleophilic substitution of alcohols with thiols or carbon nucleophiles was achieved using a mesoporous silica‐supported oxovanadium catalyst (VMPS4). Benzyl and allyl alcohols were compatible in this reaction under mild conditions, affording the products in high yields. The VMPS4 catalyst showed excellent chemoselectivity toward alcohols in the presence of acid‐labile functional groups, which is in contrast to that observed for the commonly used Lewis acid catalysts, which exhibit poor selectivity. The VMPS4 catalyst could be recycled by simple centrifugation, and the catalytic activity was maintained over seven cycles.
Electrochemical Scalable Sulfoxidation of Sulfides with Molecular Oxygen and Water
Authors: Cheng Zhen , Gao Xinglian , Yao Lingling , Wei Zhaoxin , Qin Guohui , Zhang Yonghong , Wang Bin , Xia Yu , Abdukader Ablimit , Xue Fei , Jin Weiwei , Liu Chenjiang
Published: June 2021

An efficient and chemoselective synthesis of sulfoxides through the electrooxidation of sulfides has been well developed. This protocol takes advantage of electricity as the terminal oxidant and of molecular oxygen and water as the oxygen atom sources. A variety of structurally diverse sulfoxide compounds are assembled in moderate to excellent yields. The scaled‐up reactions at 6–20 mmol show the good practicability and application potential of this methodology. A possible free radical mechanism has been proposed to rationalize the reaction procedure.
N‐Doped Carbon Coated TiC Nanofiber Arrays on Ti‐6Al‐4V for Sensitive Electrochemical Determination of Cr(VI)
Authors: Zhao Xia , Huang Zanling , Zhang Wanying , Li Peipei , Lu Fushen , Hu Liangsheng
Published: June 2021

A sensitive electrochemical sensor for Cr(VI) detection based on N‐doped carbon coated TiC nanofiber arrays (TiC@CNx NFAs) is reported. The abundant electrocatalytic active sites contained CNx shell, highly conducting TiC core, and good electrical contact between the TiC@CNx and underlying Ti alloy endow this electrode with the excellent electrochemical sensing properties. The developed electrochemical sensor shows remarkable determination activity towards Cr(VI) with a high sensitivity of 0.88 μA μM−1 cm−2, a low detection limit of 4.0 nM (S/N=3), a wide linear range from 0.2 to 24.1 μM, good selectivity and anti‐interference property.
Paternal genetic structure of Kyrgyz ethnic group in China revealed by high‐resolution Y‐chromosome STRs and SNPs
Authors: Song Feng , Song Mengyuan , Luo Haibo , Xie Mingkun , Wang Xindi , Dai Hao , Hou Yiping
Published: June 2021

Kyrgyz ethnic group is one of the nomads in China, with the majority in Xinjiang and a small part of them living in Heilongjiang province. Historically, they have went through five migrations westward due to the wars. The name “Kyrgyz” means 40 tribes, originating from the primary groups of Kyrgyz. However, it is a largely understudied population, especially from the Y chromosome. In this study, we used a previously validated high‐resolution Y‐chromosome single nucleotide polymorphisms (Y‐SNPs) and short tandem repeats (Y‐STRs) system to study Kyrgyz ethnic group. A total of 314 male samples of Kyrgyz ethnic group were genotyped by 173 Y‐SNPs and 27 Y‐STRs. After data analysis, the results unveiled that Kyrgyz ethnic group was a population with high percentage of both haplogroup C2a1a3a1d∼‐F10091 (91/134) and R1a1a1b2a2‐Z2124 (109/134), which has never been reported. This implied that Kyrgyz ethnic group might have gone through bottleneck effects twice, with these two main lineages left. Mismatch analysis indicated that the biggest mismatch number in haplogroup C2a1a3a1d∼‐F10091 was 10, while that of haplogroup R1a1a1b2a2‐Z2124 was 20. This huge difference reflected the different substructure in two lineages, suggesting that haplogroup C2a1a3a1d∼‐F10091 might have the least admixture compared to the other two lineages. After admixture modelling with other datasets, the conclusion could be drawn that Kyrgyz ethnic group had great genetic affinity with Punjabi from Lahore, Pakistan, which supported that Kyrgyz ethnic group in China was close to central Asian.
Synthesis of coimmobilized microorganisms for the removal of cadmium from cadmium‐contaminated rice flour
Authors: Zhao Fang , Zhang Hu , Yan Pianpian , Chen Yuwei , Wu Qian , Fang Min , Wu Yongning , Gong Zhiyong
Published: June 2021

China has the greatest rice production in the world, but the problem of heavy metal pollution in rice is becoming increasingly serious. The present study examined a microbial immobilization method to remove cadmium (Cd) in rice flour. The study demonstrated that Lactobacillus plantarum (L. plantarum) exhibited the best removal effect, but the microorganisms were difficult to separate from rice flour. Diatomaceous earth coimmobilized microbial pellets (DECIMPs) were prepared using coimmobilized L. plantarum with sodium alginate (SA, 3%), polyvinyl alcohol (PVA, 2%), and diatomaceous earth (DE, 1%). Compared with microbial fermentation, the immobilized pellets had less influence on rice quality, and Cd removal rates of sample 1 (0.459 ± 0.006 mg/kg) and 2 (0.873 ± 0.031 mg/kg) reached 90.01% ± 1.01% (0.051 ± 0.003 mg/kg) and 91.80% ± 0.54% (0.068 ± 0.034 mg/kg), which were significantly higher than free microbial fermentation. In addition, microbial was easily separated. These results show that DECIMPs fermentation is an effective means of removing Cd from rice and could be considered as a strategy for the development of Cd‐free rice‐based foods.
Age‐related and individual variations in altered prefrontal and cerebellar connectivity associated with the tendency of developing internet addiction
Authors: Patil Abhishek Uday , Madathil Deepa , Huang Chih‐Mao
Published: June 2021

Internet addiction refers to problematic patterns of internet use that continually alter the neural organization and brain networks that control impulsive behaviors and inhibitory functions. Individuals with elevated tendencies to develop internet addiction represent the transition between healthy and clinical conditions and may progress to behavioral addictive disorders. In this network neuroscience study, we used resting‐state functional magnetic resonance imaging (rs‐fMRI) to examine how and whether individual variations in the tendency of developing internet addiction rewire functional connectivity and diminish the amplitude of spontaneous low‐frequency fluctuations in healthy brains. The influence of neurocognitive aging (aged over 60 years) on executive‐cerebellar networks responsible for internet addictive behavior was also investigated. Our results revealed that individuals with an elevated tendency of developing internet addiction had disrupted executive‐cerebellar networks but increased occipital‐putamen connectivity, probably resulting from addiction‐sensitive cognitive control processes and bottom‐up sensory plasticity. Neurocognitive aging alleviated the effects of reduced mechanisms of prefrontal and cerebellar connectivity, suggesting age‐related modulation of addiction‐associated brain networks in response to compulsive internet use. Our findings highlight age‐related and individual differences in altered functional connectivity and the brain networks of individuals at a high risk of developing internet addictive disorders. These results offer novel network‐based preclinical markers of internet addictive behaviors for individuals of different ages.