bluuebunny/crossref_metadata_2025 huggingface dataset:
Benzils: A Review on their Synthesis
Authors: Shaikh Saba Kauser J. , Kamble Ravindra R. , Bayannavar Praveen K. , Kariduraganavar Mahadevappa Y.
Published: December 2021

This review segregates and outlines all the aspects of the synthesis of Benzil for almost two centuries. Here, state of the art review includes the early synthesis in 1836 to the advancement made over the past years in the knowledge of the preparation of benzil derivatives till the present. Benzil is one of the important and highly underrated organic compounds in which two adjacent carbonyl groups are flanked by two phenyl rings. Apart from its diverse functionality, the reactivity of benzils proclaims its prospects as a reagent for the synthesis of various heterocycles. On recasting benzil, it is possible to obtain a wide variety of utilities in pharmaceuticals, polymer, and material chemistry. This contemplation of the review gives a general perspective of reaction routes, mechanisms and highlights the conversions due to oxidation, and accentuates benzil as an emerging putative target.
Better Information, and Better Evaluations, Can Help Increase Diversity in Arbitrator Appointments
Authors: Cole Sarah Rudolph
Published: December 2021

Over three previous installments, author Sarah Rudolph Cole has analyzed the lack of diversity among arbitrators on rosters, and in parties' selections, for moving their matters through the alternative dispute resolution process. After offering two solutions in last month's Part 3 on problems in the “pipeline”—that line of education, life experiences, and jobs that can ultimately lead to a career as an arbitrator—Cole concludes her series with two more proposed improvements, and with hopes that the profession can work to ensure that parties have the opportunity to select from diverse neutrals.
Make the Choice: Why the Seat Should Govern An Arbitration Award's Enforceability
Authors: Samuel Adam
Published: December 2021

The English Supreme Court recently managed to produce an impeccably reasoned and utterly wrong decision on arbitration and the law applicable to the arbitral agreement.
Aerobic Exercise Alters Brain Function and Structure in Parkinson's Disease: A Randomized Controlled Trial
Authors: Johansson Martin E. , Cameron Ian G. M. , Van der Kolk Nicolien M. , de Vries Nienke M. , Klimars Eva , Toni Ivan , Bloem Bastiaan R. , Helmich Rick C.
Published: December 2021

Objective

Randomized clinical trials have shown that aerobic exercise attenuates motor symptom progression in Parkinson's disease, but the underlying neural mechanisms are unclear. Here, we investigated how aerobic exercise influences disease‐related functional and structural changes in the corticostriatal sensorimotor network, which is involved in the emergence of motor deficits in Parkinson's disease. Additionally, we explored effects of aerobic exercise on tissue integrity of the substantia nigra, and on behavioral and cerebral indices of cognitive control.

Methods

The Park‐in‐Shape trial is a single‐center, double‐blind randomized controlled trial in 130 Parkinson's disease patients who were randomly assigned (1:1 ratio) to aerobic exercise (stationary home trainer) or stretching (active control) interventions (duration = 6 months). An unselected subset from this trial (exercise, n = 25; stretching, n = 31) underwent resting‐state functional and structural magnetic resonance imaging (MRI), and an oculomotor cognitive control task (pro‐ and antisaccades), at baseline and at 6‐month follow‐up.

Results

Aerobic exercise, but not stretching, led to increased functional connectivity of the anterior putamen with the sensorimotor cortex relative to the posterior putamen. Behaviorally, aerobic exercise also improved cognitive control. Furthermore, aerobic exercise increased functional connectivity in the right frontoparietal network, proportionally to fitness improvements, and it reduced global brain atrophy.

Interpretation

MRI, clinical, and behavioral results converge toward the conclusion that aerobic exercise stabilizes disease progression in the corticostriatal sensorimotor network and enhances cognitive performance. ANN NEUROL 2022;91:203–216
Quadrature Acoustic Frequency Combs Multiplexing for Massive Parallel Underwater Acoustic Communications
Authors: Qian Zhiwen , Sun Wanzhong , Ma Xinyu , Han Guangyao , Fu Xiaomei , Zhai Jingsheng
Published: December 2021

Underwater acoustic (UWA) communication has been developing rapidly over the past decades for its crucial position in resource exploration, environmental monitoring, and scientific research. However, the transmission data rate of UWA communication is limited by the narrow bandwidth of the underwater acoustic channel. Here, the generation of quadrature acoustic frequency combs (AFCs) is first reported. Massive parallel channels achieved with multiplexing of AFCs for UWA communication are demonstrated. The generated AFCs have unique characteristics which have a stable and precise division in frequency and time domain simultaneously with carrier spacing of 1 Hz with the stability of 10−8. The different frequency spacing in combs leads to different teeth spacings in time, which is orthogonal and separable in the time domain. The orthogonality among AFCs provides a new dimension for multiplexing and can drastically increase channel efficiency. The underwater acoustic communication experiments demonstrate that it is drastically increasing the transmission rate to 45.33 kb s−1 and high spectral efficiency of 1.51 (channel s−1) Hz−1 without utilizing other modulation techniques by a single transducer. Since AFCs multiplexing is a completely independent degree of freedom that can be readily integrated with other high order modulation techniques, such as quadrature amplitude modulation and phase‐shift keying, in a single channel, AFCs multiplexing opens a new dimension for acoustic communication.
Quantification of the Dynamic Interface Evolution in High‐Efficiency Working Li‐Metal Batteries
Authors: Ding Jun‐Fan , Xu Rui , Ma Xia‐Xia , Xiao Ye , Yao Yu‐Xing , Yan Chong , Huang Jia‐Qi
Published: December 2021

Lithium (Li) metal has been considered a promising anode for next‐generation high‐energy‐density batteries. However, the low reversibility and intricate Li loss hinder the widespread implementation of Li metal batteries. Herein, we quantitatively differentiate the dynamic evolution of inactive Li, and decipher the fundamental interplay among dynamic Li loss, electrolyte chemistry, and the structure of the solid electrolyte interphase (SEI). The actual dominant form in inactive Li loss is practically determined by the relative growth rates of dead Li0 and SEI Li+ because of the persistent evolution of the Li metal interface during cycling. Distinct inactive Li evolution scenarios are disclosed by ingeniously tuning the inorganic anion‐derived SEI chemistry with a low amount of film‐forming additive. An optimal polymeric film enabler of 1,3‐dioxolane is demonstrated to derive a highly uniform multilayer SEI and decreased SEI Li+/dead Li0 growth rates, thus achieving enhanced Li cycling reversibility.
Sn7Br10S2: The First Ternary Halogen‐Rich Chalcohalide Exhibiting a Chiral Structure and Pronounced Nonlinear Optical Properties
Authors: Li Xiao‐Hui , Shi Zhi‐Hui , Yang Mei , Liu Wenlong , Guo Sheng‐Ping
Published: December 2021

Infrared nonlinear optical (IR NLO) materials are significant in laser technology for civil and military uses. Here, we report the synthesis, structural chemistry and NLO properties of a halogen‐rich chalcohalide Sn7Br10S2. Its noncentrosymmetric (NCS, P63) structure can be considered as partially aliovalent anion substitution of SnBr2 (P63/m) induced centrosymmetric (CS) to NCS structural transformation. The 3D ∞[Sn(1)6Sn(2)6Br6X6]6− (X=Br/S) channel framework consists of Sn(1)BrX2 and Sn(2)X3 trigonal pyramids. It exhibits excellent NLO performance, including a strong phase‐matchable NLO response of 1.5 × AgGaS2and high laser‐induced damage threshold of 6.3 × AgGaS2.Investigation of the structure–NLO performance relationship confirms that the effective arrangement of Sn(1)BrX2 and Sn(2)X3 units predominantly contributes to the large SHG response. These results indicate Sn7Br10S2 is a potential IR NLO candidate and provides a new feasible system for promising NLO materials.
Remote learning during Covid‐19 lockdown: A study on anatomy and histology education for pharmacy students in Jordan
Authors: Al‐Alami Zina M. , Adwan Sofia W. , Alsous Mervat
Published: December 2021

The Covid‐19 pandemic has changed almost all aspects of education. The anatomy and histology courses for pharmacy students focus heavily on the face‐to‐face communication of theory and practical knowledge, and due to the pandemic, only theory content was delivered in an online format. This brought up many concerns about pharmacy student preparedness. This work explores the effectiveness and student perspective of remote teaching of the theoretical anatomy and histology course in Jordanian universities from the perspective of pharmacy students. The objectives are to determine the strengths, challenges, and the effectiveness of remote delivery on student learning. An online‐based validated questionnaire was distributed to students majoring in Pharmacy and enrolled in the course during the second semester of 2019–2020 at 11 universities in Jordan. A total of 442 students participated in the study. Results showed that there were significant differences in perceptions of the social media platforms used in distance learning and remote delivery of the course. Most participants had positive perceptions of the educational process and studying via distance learning. There were many strengths noted including time flexibility and several challenges such as the lack of face‐to‐face interaction with instructors, inadequate internet connectivity, and technical issues. In conclusion, online‐taught anatomy and histology course during the Covid‐19 lockdown in Jordan was a success as perceived by students, but the course still possessed challenges need to be overcome in the future.
Synthesis and Evaluation of Diverse N‐Substituted Disaccharide Dipeptides for Human NOD2 Stimulation Activity
Authors: Guo Chih‐Wei , Chen Kuo‐Ting , You Ting‐Yun , Lin Chun‐Cheng , Cheng Wei‐Chieh
Published: December 2021

A new strategy for the preparation of distinct N‐substituted muropeptides is described. Different orthogonally N‐protected disaccharide thioglycosides were designed and synthesized. Among them, compound 4, qualified as a key intermediate, was utilized for further chemical transformations to develop a series of diverse N‐substituted‐glucosaminyl N‐substituted‐muramyl dipeptides (GMDPs). These unique muropeptides were applied for the study of human NOD2 stimulation. Intriguingly, structural modification of the MurNAc residue to N‐non‐substituted muramic acid (MurNH2) in GMDP dramatically impaired NOD2 stimulatory activity, but GMDPs possessing the glucosamine residue with a free amino group retained NOD2 stimulation activity. This work is the first study to illustrate the impact of both N‐substituents of GMDPs on immunostimulatory activities of human NOD2.
XRF‐based analytical methods for supporting sustainability in sugarcane biorefineries
Authors: Sperança Marco Aurelio , Nascimento Paloma Andrade Martins , Olivieri Alejandro César , Pereira Fabíola Manhas Verbi
Published: December 2021

There is a clear need for analytical methods able to evaluate impurities in sugarcane biorefineries. Impurities that may occur during sugar and ethanol production which involves a high content of starch, fructose, dextran and minerals. Another type of impurity comes from solid materials such as soil and the green or dry/brown leaves of the sugarcane plant. This study focused on the mineral content, which causes an increase in both cost and time, a loss of quality and a negative environmental impact, and may also hinder the crystallization process. The presently developed analytical methods demonstrate the possibility of using X‐ray fluorescence‐based techniques, even for complex samples like sugarcane juices. The exploratory analysis evidenced that X‐ray fluorescence techniques can discriminate the sugarcane juices in different clarification stages. This report developed an analytical method by building up multivariate models based on partial least‐squares regression. These models showed promising results in estimating the contents of Mg, P, S, K, Ca and Fe for all of the first seven clarification stages. For most elements, the relative prediction errors were <14%, with coefficients of determination >0.9083. The main achievement was the development of sustainable analytical methods to monitor mineral content in extracted juices from sugarcane during the clarification stages with reduced sample volume and fewer chemicals. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
Investigation on photobleaching of fluorophores: Effect of excitation power and buffer system
Authors: Ji Sangmin , Kim Seohyun , Kim Hyunggi , Koh Hye Ran
Published: December 2021

Photobleaching is an irreversible photochemical process that makes fluorophores not to emit permanently, limiting the observation time of the molecules. Thus, preliminary photobleaching can interfere with most fluorescence spectroscopy and microscopy, especially single‐molecule fluorescence applications. To minimize photobleaching of fluorophores, low excitation power as well as specialized imaging buffers that improve the photostability of fluorophores is highly recommended in single‐molecule fluorescence measurements. Here, we investigated how photobleaching can get affected by the excitation power and buffer components in the single‐molecule buffer system such as Trolox and glucose oxidase/catalase (GOC). We found that the photobleaching rate showed higher‐order photon interaction, indicating that photobleaching rate is decoupled to the amount of fluorescence. We also observed that the photobleaching rate was significantly reduced by fourfold when the combination of Trolox and oxygen scavenging system using either GOC or N2 bubbling was employed in single‐molecule buffer.
TIMP‐1‐expressing breast tumor spheroids for the evaluation of drug penetration and efficacy
Authors: Bae In Yeong , Choi Wooshik , Oh Seung Ja , Kim Chansoo , Kim Sang‐Heon
Published: December 2021

Abundance of stromal cells and extracellular matrix (ECM) is observed in breast cancer, acting as a barrier for drug penetration and presenting a key issue for developing efficient therapeutics. In this study, we aimed to develop a three‐dimensional (3D) multicellular tumor model comprising cancer and stromal cells that could effectively mimic the drug resistance properties of breast cancer. Three different types of spheroid models were designed by co‐culturing breast cancer cells (MDA‐MB‐231) with three different types of stromal cells: human adipose‐derived stromal cells (hASCs), human bone marrow stromal cells, or human dermal fibroblasts. Compared with other models, in the hASC co‐culture model, tissue inhibitor of metalloproteinases‐1 (TIMP‐1) was highly expressed and the activity of matrix metalloproteinases was decreased, resulting in a higher ECM deposition on the spheroid surfaces. This spheroid model showed less drug penetration and treatment efficacy than the other models. TIMP‐1 silencing in hASCs reduced ECM protein expression and increased drug penetration and vulnerability. A quantitative structure–activity relationship study using multiple linear regression drew linear relationships between the chemical properties of drugs and experimentally determined permeability values. Drugs that did not match the drug‐likeness rules exhibited lower permeability in the 3D tumor model. Taken together, our findings indicate that this 3D multicellular tumor model may be used as a reliable platform for efficiently screening therapeutics agents for solid tumors.
Mouse characteristics that affect establishing xenografts from hepatocellular carcinoma patient biopsies in the United States
Authors: Zou Chenhui , El Dika Imane , Vercauteren Koen O. A. , Capanu Marinela , Chou Joanne , Shia Jinru , Pilet Jill , Quirk Corrine , Lalazar Gadi , Andrus Linda , Kabbani Mohammad , Yaqubie Amin , Khalil Danny , Mergoub Taha , Chiriboga Luis , Rice Charles M. , Abou‐Alfa Ghassan K. , de Jong Ype P.
Published: December 2021

Background

Hepatocellular carcinoma (HCC) patient‐derived xenograft (PDX) models hold potential to advance knowledge in HCC biology to help improve systemic therapies. Beside hepatitis B virus‐associated tumors, HCC is poorly established in PDX.

Methods

PDX formation from fresh HCC biopsies were obtained and implanted intrahepatically or in subrenal capsule (SRC). Mouse liver injury was induced in immunodeficient Fah−/− mice through cycling off nitisinone after HCC biopsy implantation, versus continuous nitisinone as non‐liver injury controls. Mice with macroscopically detectable PDX showed rising human alpha1‐antitrypsin (hAAT) serum levels, and conversely, no PDX was observed in mice with undetectable hAAT.

Results

Using rising hAAT as a marker for PDX formation, 20 PDX were established out of 45 HCC biopsy specimens (44%) reflecting the four major HCC etiologies most commonly identified at Memorial SloanKettering similar to many other institutions in the United States. PDX was established only in severely immunodeficient mice lacking lymphocytes and NK cells. Implantation under the renal capsule improved PDX formation two‐fold compared to intrahepatic implantation. Two out of 18 biopsies required murine liver injury to establish PDX, one associated with hepatitis C virus and one with alcoholic liver disease. PDX tumors were histologically comparable to biopsy specimens and 75% of PDX lines could be passaged.

Conclusions

Using cycling off nitisinone‐induced liver injury, HCC biopsies implanted under the renal capsule of severely immunodeficient mice formed PDX with 57% efficiency as determined by rising hAAT levels. These findings facilitate a more efficient make‐up of PDX for research into subset‐specific HCC.
Rheological behavior of batter and quality of gluten‐free bread based on nonglutinous rice flour and tartary buckwheat flour
Authors: Ma Jie , Ma Lei , Chen Xi , Zhou Haiyan , Wang Zhan , He Yun , Fujita Kaori , Luan Guangzhong
Published: December 2021

Background and objectives

To evaluate gluten‐free breadmaking potential from nonglutinous rice flour (RF) of different amylose contents and tartary buckwheat flour (TBF), physicochemical properties, batter rheology, and quality of bread from mixture of RF from three popular varieties in China (YF47RF, LJ294RF, AKRF) with different replacement of TBF (0%, 10%, 20%, 30%) were investigated.

Findings

TBF could obviously improve nutritional pattern for its higher contents of protein, fat, and ash, but lesser starch than RF, and these were corresponding to its higher water holding capacity and lower pasting energy. AKRF showed both the lowest pasting temperature and gelling power, which was in well accordance with its highest amylose content and finest particle size. Mixolab test showed that none effect was seen in development time for both LJ294RF and AKRF with TBF replacement, while water absorption decreased. Lower starch gelatinization was observed in RF with the replacing of TBF, especially for YF47RF and LJ294RF. When increasing replacement of TBF to 30%, protein network of AKRF and YF47RF was found damaged, whereas starch retrogradation promoted for LJ294RF, and starch stability for AKRF enhanced. Meanwhile, batters from mixture of RF and 20% replacement of TBF presented higher stickiness.

Conclusions

The composite breads from both LJ294RF and YF47RF with the replacement of TBF presented lower hardness and higher springiness than AKRF, suggesting that they could be suitable for RF/TBF breadmaking.

Significance and novelty

Taken together, results confirmed that RF from some specific varieties and TBF are excellent combination to make gluten‐free bread.
Field‐Assisted Sensitivity Amplification in a Noble Metal Nanoparticle Decorated WO3/GO Hybrid FET‐Based Multisensory Array for Selective Detection of Breath Acetone
Authors: Bhardwaj Radha , Thakur Uttam Narendra , Ajmera Pawan , Singhal Rahul , Rosenwaks Yossi , Hazra Arnab
Published: December 2021

Selective detection of acetone levels in exhaled human breath is important to diagnose complications of diabetes mellitus by the non‐invasive route. In the current study, we are reporting a hybrid graphene oxide (GO) field‐effect transistor (FET) based multisensory array for the selective detection of breath acetone by using a feature extraction and pattern recognition route. Backgated GO‐FET was functionalized with WO3 flower‐shaped nanostructures and noble metal (Au, Pd, Pt) nanoparticles to form hybrid FET sensors. By applying optimized gate voltages, the sensor response was enhanced several orders at room temperature. Therefore, an array of six sensors was tested in synthetic breath consisting of a complex mixture of multiple volatile organic compounds, various gases, 70% relative humidity and different levels of acetone. The sensors′ outcomes were then processed with phase space entire feature extraction method, and the different levels of acetone were differentiated in the synthetic breath by using Fisher discriminant analysis.
Structural Elucidation of C6H4+. Using Chemical Reaction Monitoring: Charge Transfer Versus Bond Forming Reactions
Authors: Jacovella Ugo , Rossi Corentin , Romanzin Claire , Alcaraz Christian , Thissen Roland
Published: December 2021

Mass spectrometry is a powerful tool but when used on its own, without specific activation of ions, the ion mass is the single observable and the structural information is absent. One way of retrieving this information is by using ion–molecule reactions. We propose a general method to disentangle isomeric structures by combining mass spectrometry, tunable synchrotron light source, and quantum‐chemistry calculations. We use reactive chemical monitoring technique, which consists in tracking reactivity changes as a function of photoionization energy i. e. the ionic structure. We illustrate the power of this technique with charge transfer reactions of C6H4+. isomers with allene and propyne and discuss its universal applicability. Furthermore, we emphasize the special reactivity characteristics of distonic ions, where strong charge transfer reactivity but very limited reactivity involving bond formation and following cleavages were observed and attributed to the unconventional ortho‐benzyne distonic cation.
A high‐throughput multimode low‐density parity‐check decoder for 5G New Radio
Authors: Pourjabar Sina , Choi Gwan S.
Published: December 2021

This paper presents a partially parallel low‐density parity‐check (LDPC) decoder for the 5G New Radio (NR) standard. The design is using a multiblock parallel architecture with a flooding schedule. The decoder can support any code rates and code lengths up to the lifting size Zmax = 96. To compensate for the dropped throughput associated with the smaller Z values, the design can double and quadruple its parallelism when lifting sizes Z ≤ 48 and Z ≤ 24 are selected, respectively. Therefore, the decoder can process up to eight frames and restore the throughput to the maximum. To facilitate the design's architecture, a new variable node for decoding the extended parity bits existing in the lower code rates is proposed. The FPGA implementation of the decoder results in a throughput of 2.1 Gbps decoding the 11/12 code rate. Additionally, the synthesized decoder using the 28‐nm TSMC technology achieves a maximum clock frequency of 526 MHz and a throughput of 13.46 Gbps. The core decoder occupies 1.03 mm2, and the power consumption is 229 mW.
Comparative efficacy and safety of antihyperglycemic drug classes for patients with type 2 diabetes following failure with metformin monotherapy: A systematic review and network meta‐analysis of randomized controlled trials
Authors: Zheng Hui , Sigal Ronald J. , Coyle Doug , Bai Zemin , Johnston Amy , Elliott Jesse , Hsieh Shuching , Kelly Shannon E. , Chen Li , Skidmore Becky , Toupin‐April Karine , Wells George A.
Published: December 2021

Aims

To compare the efficacy and safety of antihyperglycemic agents, taken in combination with metformin, for the treatment of type 2 diabetes mellitus (T2DM).

Methods

A previous 2016 comprehensive search of Ovid MEDLINE, PubMed, and Cochrane CENTRAL was updated to October 2018, and a systematic review and network meta‐analysis (NMA) was conducted. Randomized controlled trials (RCTs) of patients with T2DM taking an antihyperglycemic agent in combination with metformin were included. Bayesian NMA was performed to assess the relative efficacy and safety of the antihyperglycemic classes.

Results

In total, 204 RCTs were included, which assessed the efficacy and safety of eight antihyperglycemic drug classes (i.e., sulfonylureas, meglitinides, alpha‐glucosidase inhibitors, thiazolidinediones, basal and biphasic insulin, dipeptidyl peptidase 4 inhibitors, glucagon‐like‐peptide‐1 receptor agonists and sodium‐glucose cotransport‐2 inhibitors). All drug classes significantly reduced haemoglobin A1c (HbA1c) compared to metformin monotherapy (mean reduction from 0.50 to 0.92). The drug classes varied in their relative effects on hypoglycemia, body weight, body mass index, systolic and diastolic blood pressure, total cholesterol, high and low density lipoprotein cholesterol, and the classes had differing safety profiles on total adverse events, urogenital adverse events, heart failure, serious adverse events, and withdraw due to adverse events.

Conclusions

All eight antihyperglycemic drug classes, taken in combination with metformin, reduced HbA1c levels; however, the effects of the agents on other outcomes varied among the classes.
Using retrospective life tables to assess the effect of extreme climatic conditions on ungulate demography
Authors: Peláez Marta , San Miguel Alfonso , Rodríguez‐Vigal Carlos , Moreno‐Gómez Ángel , García del Rincón Amanda , Perea García‐Calvo Ramón
Published: December 2021

In Mediterranean areas, severe drought events are expected to intensify in forthcoming years as a consequence of climate change. These events may increase physiological and reproductive stress of wild populations producing demographic changes and distribution shifts. We used retrospective life tables to understand demographic changes on a wild population after severe drought events. We studied the impact of two extreme events (2003 and 2005) on the population dynamics of our model species, the red deer (Cervus elaphus). During both years, population density was high (40 and 36 ind/100 ha, respectively). Thus, we reconstructed retrospectively the age structure of the female part of the population for the period 2000–2010 by using data of known‐age individuals culled during the period 2000–2019 (n = 4176). Also, based on previous study results, we aimed to validate this methodology. Both extremely dry years, 2003 and 2005, produced marked and lasting cohort effects on population demography. Age pyramid the following years (2004 and 2006) revealed that the extreme drought caused the female fawn cohort to be similar or even smaller than the yearling cohort. Furthermore, these cohort effects were still perceptible 3 years after these severe events. Results agree with previous findings that showed a negative effect of severe drought events on female pregnancy rates and conception dates. Although simple, this study provides an empirical quantification of the demographic effects of severe drought events for a wild population which might be useful to understand future demographic changes under the context of climate change.
Experimental and Theoretical Study on the Substitution Patterns in Lithium Germanides: The Case of Li15Ge4vs Li14ZnGe4
Authors: Osman Hussien H. , Bobev Svilen
Published: December 2021

A new ternary lithium zinc germanide, Li13.83Zn1.17(2)Ge4, was synthesized by a high‐temperature solid state reaction of the respective elements. The crystal structure was determined by single‐crystal X‐ray diffraction methods. The new phase crystallizes in the body‐centered cubic space groupI3d(no. 220) with unit cell parameter of 10.695(1) Å. The crystal structure refinements show that the parent Li15Ge4structure is stabilized as Li15−xZnxGe4(x≈1) via random substitution of Li atoms by the one‐electron‐richer atoms of the element Zn, by virtue of which the number of valence electrons increases, leading to a more electronically stable system. The substitution effects in the parent Li15Ge4structure were investigated through both theory and experiment, which confirm that the Zn atoms in this structure prefer to occupy only one of the two available crystallographic sites for Li. The preferred substitution pattern established from experimental results is supported by DFT electronic structure calculations, which also explore the subtleties of the chemical bonding and the electronic properties of the title compounds.
One‐Pot Regio‐ and Diastereoselective Synthesis of Tetrahydro‐α‐carbolines via Cascade Reactions of Iminoindolines with Morita‐Baylis‐Hillman Bromides of Nitroalkenes
Authors: Sivanandan Sudheesh T. , Chauhan Diksha , Namboothiri Irishi N. N.
Published: December 2021

A mild and metal‐free method for the one‐pot synthesis of highly substituted tetrahydro‐α‐carbolines from Morita‐Baylis‐Hillman (MBH) bromides of nitroalkenes and iminoindolines has been demonstrated. Cascade reaction of MBH bromides with tosyliminoindolines occurs with regio‐ as well as diastereoselectivity in a formal [3+3] manner to form various tetrahydro‐α‐carbolines with wide substrate scope under mild conditions. All the products were obtained in high yields within a short reaction time. Also, the synthetic efficiency of the methodology was demonstrated by a gram scale experiment and by further converting them into 3‐nitro‐α‐carbolines.
Social determinants of health and cognitive performance of older adults living in rural communities: The Three Villages Study
Authors: Del Brutto Oscar H. , Mera Robertino M. , Rumbea Denisse A. , Recalde Bettsy Y. , Sedler Mark J.
Published: December 2021

Objectives

There is limited information on factors associated with poor cognitive performance in rural settings of Low‐ and Middle‐Income Countries. Using the Three Villages Study Cohort, we assessed whether social determinants of health (SDH) play a role in cognitive performance among older adults living in rural Ecuador.

Methods

Atahualpa, El Tambo and Prosperidad residents aged ≥60 years received measurement of SDH by means of the Gijon Scale together with a Montreal Cognitive Assessment (MoCA). The association between SDH and cognitive performance (dependent variable) was assessed by generalized linear models, adjusted for demographics, years of education, cardiovascular risk factors, symptoms of depression and biomarkers of structural brain damage.

Results

We included 513 individuals (mean age: 67.9 ± 7.3 years; 58% women). The mean score on the Gijon scale was 9.9 ± 2.9 points, with 237 subjects classified as having a high social risk (≥10 points). The mean MoCA score was 19.6 ± 5.4 points. Locally weighted scatterplot smoothing showed an inverse linear relationship between SDH and MoCA scores. SDH and MoCA scores were inversely associated in linear models adjusted for clinical covariates (β: −0.17; 95% C.I.: −0.32 to −0.02;p = 0.020), neuroimaging covariates (β: −0.17; 95% C.I.: −0.31 to −0.03;p = 0.018), as well as in the most parsimonious model (β: −0.16; 95% C.I.: −1.30 to −0.02;p = 0.026).

Conclusions

Study results provide robust evidence of an inverse association between SDH and cognitive performance. Interventions and programs aimed to reduce disparities in the social risk of older adults living in underserved rural populations may improve cognitive performance in these individuals.
Acquired mild cognitive impairment in adults with Down syndrome: Age‐related prevalence derived from single point assessment data normed by degree of intellectual disability
Authors: Oliver Chris , Adams Dawn , Holland Anthony J. , Brown Stephanie S. G. , Ball Sarah , Dodd Karen , Carr Janet
Published: December 2021

Background

Individuals with Down syndrome (DS) are at significant risk for early onset Alzheimer's disease (AD), likely due to the triplication of genes on chromosome 21 that facilitate AD neuropathology. To aid the effective early diagnosis of dementia in DS, we demonstrate the strategy of using single point assessment of cognitive performance with scoring normed for degree of intellectual disability to generate age related prevalence data for acquired mild cognitive impairment (AMCI).

Methods

Four hundred and twelve adults with DS were assessed using the Neuropsychological Assessment of dementia in adults with Intellectual Disability. Normative data, banded by degree of intellectual disability, allowed identification of AMCI by atypical deviation from expected performance.

Results

AMCI was evident in approximately 20% of adults with DS aged 40 and under, 40% aged 41–50 and 45% aged 51 and over. Relative risk increased significantly in those aged 46 and over. Analysis of prevalence by 5‐year age bands revealed two peaks for higher prevalence of AMCI.

Conclusions

Psychometric data indicate single point assessment of AMCI is possible for the majority of adults with DS. Two peaks for age‐related prevalence of AMCI suggest the risk for onset of AD conferred by trisomy of chromosome 21 is moderated by another factor, possibly ApoE status.
Hydrological process knowledge in catchment modelling – Lessons and perspectives from 60 years development
Authors: Refsgaard Jens Christian , Stisen Simon , Koch Julian
Published: December 2021

Hydrological process knowledge has advanced significantly during the past six decades. During the same period catchment models have undergone major developments including simple black box models, lumped conceptual models, hydrological response unit models, spatially distributed process‐based models and, recently, the emergence of machine learning hybrid models. This development has been enabled by improved understanding of hydrological processes together with ever increasing computer power and improved availability and accessibility of data. During the first couple of decades, a key assumption motivating the development towards increasing complexity of model codes was that more detailed process description would lead to more accurate model simulations and enable prediction of impacts from human activities that previous models were not able to provide. Subsequently, scientific tests showed that this is very often not the case, leading towards a recognition of the importance of careful model evaluation accounting for key uncertainties in data, model parameters and model conceptual understanding. We have reviewed 54 model studies from the past 60 years and characterized them with respect to model type, spatial discretization and model evaluation techniques. This showed clear development trends and different strategies for enhancing hydrological process knowledge in models. In addition, we present a case study, where we use two models for the same catchment. The models are identical except for the spatial discretization of 100 m and 500 m, respectively. The two models have an apparent equal performance measured against standard calibration metrics, but nevertheless show large differences when considering detailed process information such as partitioning of streamflow components and water table depth patterns, that was not considered during the model calibration process. The paper discusses perspectives for enhancing hydrological process knowledge in future catchment modelling concluding that the emergence of big data is likely to become a major game changer.
Dynamic and causality linkages from transportation services and tourism development to economic growth and carbon emissions: New insights from Quantile ARDL approach
Authors: Sun Yunpeng , Kamran Hafiz Waqas , Razzaq Asif , Qadri Faisal Sultan , Suksatan Wanich
Published: December 2021

The present study investigates the pathway toward sustainability in Malaysia while observing the effects of tourism and transportation services on economic growth and carbon emissions. The study applied the quantile autoregressive distributed lag approach during the period 1970–2018, along with Granger causality to explore dynamic and asymmetric causal associations between the proposed variables. The empirical outcomes indicate that the error correction parameters are significant across major quantiles, confirming the presence of steady-state equilibrium in the long run. The results demonstrate that tourism and transportation services contribute significantly to economic growth in the long run; however, their contribution varies at different quantiles. On the other hand, tourism and transportation services were found to mitigate carbon dioxide emissions mainly across higher emission quantiles, confirming the sustainability of the transportation and tourism sector in Malaysia. We also observe a bidirectional causality between model variables. These results suggest important policy implications. Integr Environ Assess Manag 2022;18:1272–1287. © 2021 SETAC

KEY POINTS

This study investigates the asymmetric trends of tourism and transport services using novel quantile ARDL framework. Tourism and transportation services significantly contribute to economic growth. Tourism and transportation services were found to mitigate carbon dioxide emissions mainly across higher emissions quantiles. Environmental impact of tourism and transport services was significantly varied across lower, medium, and higher quantiles.
Real‐time automated segmentation of breast lesions using CNN‐based deep learning paradigm: Investigation on mammogram and ultrasound
Authors: Atrey Kushangi , Singh Bikesh Kumar , Roy Abhijit , Bodhey Narendra Kuber
Published: December 2021

The existing studies involving single imaging modalities (i.e., mammogram (MG) or ultrasound (US)) to detect breast lesions have demonstrated limited clinical application because radiologists rarely interpret an MG without a corresponding US and vice‐versa. Thus, this article aims to develop a Computer Aided Segmentation (CAS) system for detecting breast lesions in both MG and US. A customized convolutional neural network (CNN) is adopted for this purpose. A new real‐time bi‐modal database of MG and US is used for dual‐modality evaluation. Twelve performance measures, five shape measurements, area under receiver operating characteristics (ROC), and paired T‐test are used to assess the performance of proposed CAS system. A Dice Similarity Coefficient (DSC) of 0.64 (for MG) and 0.77 (for US) and Jaccard Index (JI) of 0.53 (for MG) and 0.64 (for US) indicate that the US can be used as an adjunct technique to MG in the segmenting breast lesions.
Ex vivo confocal Raman microspectroscopy of porcinedura matersupported by optical clearing
Authors: Jaafar Ali , Holomb Roman , Sdobnov Anton Y. , Ocskay Zsombor , Jakus Zoltán , Tuchin Valery V. , Veres Miklós
Published: December 2021

The effect of tissue optical clearing (TOC) to increase the probing depth and observe in‐depth structure of the ex vivo porcinedura materwas studied by confocal Raman microspectroscopy (CRM). Raman intensities were significantly increased at the depth of 250 μm for all collagen bands after treatment with glycerol. The influence of glycerol on collagen hydration was also investigated. The results indicate that the process of TOC can be divided into three main steps. The first one is a fast process of tissue dehydration accompanied by collagen shrinkage while the second relatively slow process is related to the glycerol penetration into the interfibrillar space of collagen combined with swelling of tissue. The third step is collagen dissociation caused by the high concentration of glycerol. To the best of our knowledge, this study is the first example to introduce the TOC technique in assisting CRM of ex vivodura materin‐depth probing.
Evaluation of the biological and physicochemical properties of calcium silicate‐based and epoxy resin‐based root canal sealers
Authors: Ferreira Gabriela Cardoso , Pinheiro Lucas Siqueira , Nunes Júlia Silveira , de Almeida Mendes Roberta , Schuster Cláudia Daniela , Soares Renata Grazziotin , Kopper Patrícia Maria Poli , de Figueiredo José Antônio Poli , Grecca Fabiana Soares
Published: December 2021

Biocompatibility, dimensional stability, radiopacity, flow, and low solubility are the characteristics of an ideal endodontic sealer. This study evaluated and compared in vivo and in vitro biological and physicochemical properties of calcium silicate‐based sealers: Sealer Plus BC (BC), MTA Fillapex (MF); and resin‐based sealers: AH Plus (AHP) and Sealer Plus (SP). Apical papilla cells were exposed to sealer extracts and subjected to MTT, SRB, scratch, alkaline phosphatase enzyme activity (ALP) and Alizarin red staining (ALZ) assays. Sealers were histologically evaluated in connective tissue of Wistar rats in different periods. Radiopacity, film thickness, flow, setting time, pH and element analyses were investigated. BC had better results compared to AHP and MF at hour 72 for MTT assay (p < .05), and the highest cell viability under SRB (p < .05). All sealers presented ALP activity. BC presented the highest mineralized deposition under ALZ (p < .05). BC and MF promoted wound healing. All sealers induced an initial inflammation reaction that decreased over time. Eosinophils were observed at day 7 in MF (p < .05). Despite MF did not present final setting time, the sealers properties were in accordance to ISO 6876/2012 and ASTM C266‐08. All sealers presented cell viability and biocompatibility. BC presented higher pH values and bioactivity. The materials tested showed physico‐chemical properties in accordance with standards, except for MF setting time.
Noncognate HER2 sensitivity to cognate EGFR allosteric inhibitors at molecular level: New uses for old drugs in gynecological tumors
Authors: He Xin , Hao Ye , Liu Xiaoyan , Guan Jing , Wang Li
Published: December 2021

Human epidermal growth factor receptor (EGFR) of the ErbB family kinases is a well‐established therapeutic target for malignant lung cancer, which, however, has been observed to cause the dramatic drug resistance to almost all first‐ to third‐generation ATP‐competitive inhibitors with the T790M/C797S double‐mutation at the peripheral region of its kinase active site. In recent years, allosteric inhibition of the EGFR kinase domain has evolved rapidly to overcome these clinically significant drug‐resistant mutations, leading to the discovery of a number of EGFR allosteric inhibitors. In the present study, we attempted to systematically evaluate the molecular sensitivity of existing cognate EGFR allosteric inhibitors to their noncognate HER2 target –– another druggable ErbB member that is a potential therapeutic target of diverse gynecological tumors such as breast, cervical and ovarian cancers, and shares high conservation with EGFR but still has no cognate allosteric inhibitors specifically developed for it. An integrative strategy that combined molecular modeling and biochemical inhibition assay was described to investigate the structural basis, energetics property, and dynamics behavior involved in the intermolecular interaction between the HER2 kinase domain and nine reported EGFR allosteric inhibitors at a molecular level. The inhibitor response to HER2 T798M/C805S double‐mutation was also examined and compared with their response to counterpart EGFR T790M/C797S double‐mutation. It is revealed that the EGFR allosteric inhibitors can also effectively target HER2 kinase with a similar or moderately decreased potency; they exhibit a consistent response profile to EGFR and HER2 counterpart mutations. In addition, the HER2 T798M mutation was found to considerably sensitize allosteric inhibitors EAI045 and JBJ‐04‐125‐02 by creating additional noncovalent interactions between them, while the HER2 C805S mutation was observed to have no essential effect on most allosteric inhibitors due to its spatial separation from the kinase allosteric site.
Genetic research and clinical analysis of β‐globin gene cluster deletions in the Chinese population of Fujian province: A 14‐year single‐center experience
Authors: Chen Meihuan , Zhang Min , Chen Lingji , Lin Na , Wang Yan , Xu Liangpu , Huang Hailong
Published: December 2021

Background

Heterozygotes of HPFH and δβ thalassemia are clinically asymptomatic or have mild hemoglobin (Hb) values. However, when both HPFH and δβ‐thalassemia are coinherited with heterozygous β‐thalassemia, patients may progress to a clinical phenotype of thalassemia intermedia or thalassemia major. The purpose of this study was to characterize the genotypes and analyze the phenotypes of these disorders in Fujian Province, to offer advice for genetic counseling and accurate prenatal diagnosis in this region. A total of 55 001 subjects were participated in thalassemia screening. 142 subjects with HbF levels ≥10%, before the blood transfusion, were selected for further investigation.

Methods

Multiplex ligation‐dependent probe amplification (MLPA) and Gap‐PCR were used to screen for three β‐globin gene cluster deletions: Chinese Gγ(Aγδβ)0 thalassemia and Southeast Asia HPFH (SEA‐HPFH) deletion and 1357 bp deletion (NG‐000007.3:g.69997‐71353 del 1357).

Results

A total of 142 patients with HbF (≥10%) were enrolled to characterize the molecular basis of β‐globin gene cluster deletions in our study; 22 cases 0.04% (22/55 001) were definitively diagnosed with β‐globin gene cluster deletions. Ten cases were heterozygous for the Chinese Gγ(Aγδβ)0‐thal mutations, 10 cases were heterozygous for SEA‐HPFH, and one case was compound heterozygous for SEA‐HPFH and the α‐thal mutation. The 1357 bp deletion (NG‐000007.3:g.69997‐71353 del 1357) was detected in one case. Moreover, the hemoglobin A2 levels in patients who were heterozygous for Chinese Gγ(Aγδβ)0‐thal were statistically lower than in cases with SEA‐HPFH deletion(p < 0.05).

Conclusion

In Fujian Province, the prevalence of common β‐globin gene cluster deletions was 0.04%. What's more, the most common β‐globin cluster deletions are the Chinese Gγ(Aγδβ)0 and SEA‐HPFH.
Transgender community resilience on YouTube: Constructing an informational, emotional, and sociorelational support exchange
Authors: Rothbaum Beatrice , Etengoff Chana , Uribe Elizabeth
Published: December 2021

This strength‐based, mixed‐methods study explored how trans individuals utilize transvlogs as a community building and resilience resource. Eighty‐six transvlog viewers explained their motivation for viewing transvlogs and additionally rated their self‐efficacy and well‐being. Narrative analyses indicate that participants viewed transvlogs to gain informational, emotional, and sociorelational resources. Twelve percent of participants additionally shared those resources with others and contributed to a relational resilience exchange. In addition, transvlog viewers' self‐efficacy and well‐being scores were higher than previously reported means. While prior research has noted the benefits of transvlog creation, the present study furthers this study by suggesting that transvlog viewers interactionally benefit as well. Participants in this study were not passive viewers, but rather active, agentive contributors to a trans community resilience exchange. Building on this study, we conclude with a discussion of how therapists can incorporate extant trans‐created resources to foster trans community resilience.