bluuebunny/crossref_metadata_2025 huggingface dataset:
Thiazide Diuretics and Fracture Risk: A Systematic Review and Meta‐Analysis of Randomized Clinical Trials
Authors: Desbiens Louis‐Charles , Khelifi Nada , Wang Yue‐Pei , Lavigne Felix , Beaulieu Véronique , Sidibé Aboubacar , Mac‐Way Fabrice
Published: September 2022

Thiazide diuretics are commonly used antihypertensive agents. Until today, whether their use reduces fracture risk remains unclear. Our objective was to conduct a systematic review of thiazide diuretics’ effects on fractures and bone mineral density (BMD) in randomized clinical trials (RCT) of adults. MEDLINE, EMBASE, CENTRAL, and the WHO's ICTRP registry were searched from inception to July 31, 2019. Two reviewers assessed studies for eligibility criteria: (i) RCTs; (ii) including adults; (iii) comparing thiazides, alone or in combination; (iv) to placebo or another medication; and (v) reporting fractures or BMD. Conference abstracts and studies comparing thiazides to antiresorptive or anabolic bone therapy were excluded. Bias was assessed using Cochrane Collaboration's Risk of Bias Tool‐2. The primary outcome was fracture at any anatomical site. Secondary outcomes were osteoporotic fractures, hip fractures, and BMD at femoral neck, lumbar spine, and/or total hip. Fractures were pooled as risk ratios (RRs) using random‐effect models. Prespecified subgroup analyses and post hoc sensitivity analyses were conducted. From 15,712 unique records screened, 32 trials (68,273 patients) met eligibility criteria. Thiazides were associated with decreased fractures at any site (RR = 0.87, 95% confidence interval [CI] 0.77–0.98; I2 = 0%) and osteoporotic fractures (RR = 0.80; 95% CI 0.69–0.94; I2 = 0%). Results were consistent in most subgroups and sensitivity analyses. Few studies reported hip fractures, and no association was found between thiazides and this outcome (RR = 0.84; 95% CI 0.67–1.04; I2 = 0%). Only four studies reported BMD; a meta‐analysis was not conducted because BMD reporting was inconsistent. Trials were deemed at low (3 studies, weight = 3%), some concerns (16 studies; 71%), or high (11 studies; 26%) risk of bias for the primary outcome. In conclusion, thiazide diuretics decreases the risk of fractures at any and at osteoporotic sites in a meta‐analysis of RCTs. Additional studies are warranted in patients with high fracture risk. © 2022 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
Multiple Vertebral Fractures After Denosumab Discontinuation: FREEDOM and FREEDOM Extension Trials Additional Post Hoc Analyses
Authors: Cosman Felicia , Huang Shuang , McDermott Michele , Cummings Steven R.
Published: September 2022

It is uncertain whether the risk of vertebral fracture (VF) and multiple vertebral fractures (MVFs; ≥2 VFs) after denosumab (DMAb) discontinuation is related to treatment duration. A prior analysis of Fracture Reduction Evaluation of Denosumab in Osteoporosis Every 6 Months (FREEDOM) and FREEDOM Extension trials did not find a relationship with DMAb duration and may have underreported MVF incidence because it included women who did not have radiographs. In this post hoc exploratory analysis, the crude incidence and annualized rates of VF and MVF were determined in patients with ≥7 months' follow-up and ≥1 spine radiograph after discontinuing placebo or DMAb. A multivariate analysis was performed to identify predictors of MVF. Clinical characteristics of patients with ≥4 VFs were explored. This analysis included women who discontinued after placebo (n = 327) or DMAb either from FREEDOM or FREEDOM Extension (n = 425). The DMAb discontinuation group was subsequently dichotomized by treatment duration: short-term (≤3 years; n = 262) and long-term (>3 years; n = 213) treatment. For any VF, exposure-adjusted annualized rates per 100 patient-years (95% confidence interval [CI]) were 9.4 (95% CI, 6.4–13.4) for placebo, 6.7 (95% CI, 4.2–10.1) for short-term DMAb, and 10.7 (95% CI, 7.4–15) for long-term DMAb. Annualized rates for MVF were 3.6 (95% CI, 1.9–6.3), 2.9 (95% CI, 1.4–5.4), and 7.5 (95% CI, 4.8–11.1), respectively. Annualized rates for ≥4 VFs were 0.59 (95% CI, 0.1–2.1), 0.57 (95% CI, 0.1–2.1), and 3.34 (95% CI, 1.7–6.0), respectively. In a multivariate regression model, DMAb duration was significantly associated with MVF risk (odds ratio 3.0; 95% CI, 1.4–6.5). Of 15 patients with ≥4 VFs, 13 had DMAb exposure (mean ± standard deviation [SD], 4.9 ± 2.2 years). The risk of MVF after DMAb discontinuation increases with increased duration of DMAb treatment. Patients transitioning off DMAb after 3 years may warrant more frequent administration of zoledronic acid or another bisphosphonate to maintain bone turnover and bone mineral density (BMD) and prevent MVF. © 2022 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research (ASBMR).
Membrane proteomic profiling enhances drug target detection
Authors: Chan Hsin‐Ju , Chen Li‐Yu , Chiu Huan‐Chi , Chen Yu‐Ju
Published: September 2022

Membrane proteins are an important category of drug targets in human diseases. However, membrane protein characterization is challenging due to their hydrophobicity, low abundance, and poor protease accessibility of the proteins. To facilitate reproducible and sensitive profiling of the druggable membrane proteome, we reported a strategy combining membrane protein extraction and data‐independent acquisition mass spectrometry (DIA‐MS). By a single‐shot DIA analysis for a model lung cancer cell line, the results show good enrichment of 2,740 confidently identified membrane proteins, which accounts for 71% proteins identified from the membrane‐enriched sample and includes 202 FDA‐approved drug targets and 462 uniquely identified membrane proteins compared to the result from whole‐cell lysate. Furthermore, the membrane fraction enrichment significantly enhanced protein abundance of 1,245 membrane proteins, and 22 proteins were identified in the non‐small‐cell lung cancer pathway, including 6 lung cancer drug targets. The approach demonstrated better identification in higher intensities and signal‐to‐noise ratios of peptide ions. The drug targets increased 3.3–25.9‐fold (median 15.5‐fold) in peptide abundance and 1.0–12.0% in (median 5.3%) protein coverage. The membrane proteomic profiling strategy will advance the applications of quantitative proteomics in drug target discovery.
Kynurenine‐3‐monooxygenase (KMO): From its biological functions to therapeutic effect in diseases progression
Authors: Chen Yanmei , Zhang Jiahui , Yang Yueying , Xiang Ke , Li Hua , Sun Dejuan , Chen Lixia
Published: September 2022

Kynurenine‐3‐monooxygenase (KMO) is a mitochondrial enzyme involved in the eukaryotic kynurenine pathway (KP), which is the major catabolic route of tryptophan. KMO can convert the substrate kynurenine into the neurotoxin 3‐hydroxykynurenine and quinolinic acid, which promote the production of toxic metabolites and formation of free radical in the blood, while decrease the neuroprotective metabolite kynurenic acid. As a result of branch point, KMO is predicted as an attractive drug target for several diseases, especially neurodegenerative diseases, psychosis, and cancer. This review mainly pays attention to KMO structure and the research of mechanisms and functions, with a particular emphasis on the roles of KMO in the pathogenesis of various conditions. Furthermore, we also summarized important KMO inhibitors to supporting their effects on these diseases, indicating the prospect to find novel KMO inhibitors for diseases therapy.
Novel cerebrospinal fluid biomarkers of glucose transporter type 1 deficiency syndrome: Implications beyond the brain's energy deficit
Authors: Peters Tessa M. A. , Merx Jona , Kooijman Pieter C. , Noga Marek , de Boer Siebolt , van Gemert Loes A. , Salden Guido , Engelke Udo F. H. , Lefeber Dirk J. , van Outersterp Rianne E. , Berden Giel , Boltje Thomas J. , Artuch Rafael , Pías‐Peleteiro Leticia , García‐Cazorla Ángeles , Barić Ivo , Thöny Beat , Oomens Jos , Martens Jonathan , Wevers Ron A. , Verbeek Marcel M. , Coene Karlien L. M. , Willemsen Michèl A. A. P.
Published: September 2022

We used next‐generation metabolic screening to identify new biomarkers for improved diagnosis and pathophysiological understanding of glucose transporter type 1 deficiency syndrome (GLUT1DS), comparing metabolic cerebrospinal fluid (CSF) profiles from 12 patients to those of 116 controls. This confirmed decreased CSF glucose and lactate levels in patients with GLUT1DS and increased glutamine at group level. We identified three novel biomarkers significantly decreased in patients, namely gluconic + galactonic acid, xylose‐α1‐3‐glucose, and xylose‐α1‐3‐xylose‐α1‐3‐glucose, of which the latter two have not previously been identified in body fluids. CSF concentrations of gluconic + galactonic acid may be reduced as these metabolites could serve as alternative substrates for the pentose phosphate pathway. Xylose‐α1‐3‐glucose and xylose‐α1‐3‐xylose‐α1‐3‐glucose may originate from glycosylated proteins; their decreased levels are hypothetically the consequence of insufficient glucose, one of two substrates for O‐glucosylation. Since many proteins are O‐glucosylated, this deficiency may affect cellular processes and thus contribute to GLUT1DS pathophysiology. The novel CSF biomarkers have the potential to improve the biochemical diagnosis of GLUT1DS. Our findings imply that brain glucose deficiency in GLUT1DS may cause disruptions at the cellular level that go beyond energy metabolism, underlining the importance of developing treatment strategies that directly target cerebral glucose uptake.
Determination of hepatic extraction fraction with gadoxetate low‐temporal resolution DCE‐MRI‐based deconvolution analysis: validation with ALBI score and Child‐Pugh class
Authors: Phonlakrai Monchai , Ramadan Saadallah , Simpson John , Gholizadeh Neda , Arm Jameen , Skehan Kate , Goodwin Jonathan , Trada Yuvnik , Martin Jarad , Sridharan Swetha , Lamichhane Bishnu , Bollipo Steven , Greer Peter
Published: September 2022

Introduction

In this study, we aimed to investigate the feasibility of gadoxetate low‐temporal resolution (LTR) DCE‐MRI for voxel‐based hepatic extraction fraction (HEF) quantification for liver sparing radiotherapy using a deconvolution analysis (DA) method.

Methods

The accuracy and consistency of the deconvolution implementation in estimating liver function was first assessed using simulation data. Then, the method was applied to DCE‐MRI data collected retrospectively from 64 patients (25 normal liver function and 39 cirrhotic patients) to generate HEF maps. The normal liver function patient data were used to measure the variability of liver function quantification. Next, a correlation between HEF and ALBI score (a new model for assessing the severity of liver dysfunction) was assessed using Pearson's correlation. Differences in HEF between Child‐Pugh score classifications were assessed for significance using the Kruskal–Wallis test for all patient groups and Mann–Whitney U‐test for inter‐groups. A statistical significance was considered at a P‐value <0.05 in all tests.

Results

The results showed that the implemented method accurately reproduced simulated liver function; root‐mean‐square error between estimated and simulated liver response functions was 0.003, and the coefficient‐of‐variance of HEF was <20%. HEF correlation with ALBI score was r = −0.517, P < 0.0001, and HEF was significantly decreased in the cirrhotic patients compared to normal patients (P < 0.0001). Also, HEF in Child‐Pugh B/C was significantly lower than in Child‐Pugh A (P = 0.024).

Conclusion

The study demonstrated the feasibility of gadoxetate LTR‐DCE MRI for voxel‐based liver function quantification using DA. HEF could distinguish between different grades of liver function impairment and could potentially be used for functional guidance in radiotherapy.
The interaction of trehalose and molten globule state soybean 11S globulin and its impact on foaming capacities
Authors: Zhu Pengyu , Ma Chunmin , Fan Jing , Yang Yang , Liu Xiaofei , Bian Xin , Ren Likun , Xu Yue , Yu Dehui , Liu Linlin , Fu Yu , Gao Jian , Zhang Na
Published: September 2022

BACKGROUND

Soybean 11S globulin has good functional properties, which are widely used in the field of food. However, natural soybean 11S globulin (N‐11S) has low flexibility and is easy to aggregate, impacting its foaming process. Studies have shown that soybean 11S globulin in molten globule state (MG‐11S) has better molecular flexibility than N‐11S, and trehalose has been shown to improve the properties of proteins. Therefore, this study investigated the interaction mechanism between trehalose and MG‐11S, and its impact on rheological and foaming properties of MG‐11S.

RESULTS

The molecular docking and intrinsic fluorescence results showed that hydrogen bonding was the main interaction force at lower than 0.5 mol L−1 trehalose added. Meanwhile, rheology and foaming showed that the MG‐11S–trehalose complexes had better viscoelasticity, foaming ability (66.67–86.67%) and foaming stability (75.00–89.29%) than N‐11S (16.67% foaming ability and 40.00% foaming stability); however, when the trehalose was higher than 0.5 mol L−1, molecular crowding occurred and H‐bonds were weakened, resulting in reduction of foaming capacities. Microstructure determination showed that trehalose attached to the surface of foam membrane; meanwhile, the foaming structure of the complex with 0.5 mol L−1 trehalose had a thicker liquid film with decreased drainage rate, less agglomeration and disproportionation of foam, illustrating the best foaming ability and foaming stability.

CONCLUSION

The results suggested that trehalose at different concentrations can interact with MG‐11S through different mechanisms, and improve the foaming capacity of MS‐11S. This provided a reference for the application of MS‐11S in foaming food. © 2022 Society of Chemical Industry.
Changes in partial properties of glycosylated egg white powder during storage
Authors: Su Yujie , Zhang Wanqiu , Chang Cuihua , Li Junhua , Sun Yuanyuan , Cai Yundan , Xiong Wen , Gu Luping , Yang Yanjun
Published: September 2022

BACKGROUND

Glycosylation is an effective method to modify protein. However, there is a lack of research on the property changes of glycosylated protein during storage. In the present study, the changes in the physicochemical, functional, and structural properties of xylo‐oligosaccharide (XOS) glycosylated egg white powder (EWP) (XOS‐EWP conjugates) prepared with different glycosylation conditions (XOS/EWP ratio and reaction time) were investigated when stored at 25 °C and 60% relative humidity.

RESULTS

In the 12 weeks of storage, the degree of grafting, browning, and the formation of Maillard reaction products of XOS‐EWP conjugates increased. The increase in XOS/EWP ratio and reaction time led to an increase in protein aggregation, though a decrease in solubility, due to increased degree of glycosylation and structural changes. Furthermore, improved gel hardness of XOS‐EWP conjugates deteriorated, while improved emulsification ability was kept stable during storage. For the sample with a lower XOS/EWP ratio and reaction time, the gel hardness and emulsifying properties underwent little or no deterioration even improving during storage. The results could be attributed to the limited degree of glycosylation, further unfolding of the protein structure, increased surface hydrophobicity of protein, and improved thermal characteristics.

CONCLUSION

During storage, the Maillard reaction would continue to occur in the glycosylated EWP, further affecting the performance of modified EWP. Modified EWP prepared under different glycosylation conditions performed differently during storage. Modified EWP with a larger XOS/EWP ratio and reaction time meant it was harder to maintain good performance. Modified EWP with a smaller XOS/EWP ratio and reaction time changed significantly to better performances. © 2022 Society of Chemical Industry.
Emodin modulates gut microbial community and triggers intestinal immunity
Authors: Mabwi Humphrey A. , Lee Hee Ju , Hitayezu Emmanuel , Mauliasari Intan Rizki , Pan Cheol‐Ho , Mwaikono Kilaza Samson , Komba Erick V. G. , Lee Choong‐Gu , Cha Kwang Hyun
Published: September 2022

BACKGROUND

The gut microbiota (GM) plays an important role in human health and is being investigated as a possible target for new therapies. Although there are many studies showing that emodin can improve host health, emodin–GM studies are scarce. Here, the effects of emodin on the GM were investigated in vitro and in vivo.

RESULTS

In vitro single bacteria cultivation showed that emodin stimulated the growth of beneficial bacteria Akkermansia, Clostridium, Roseburia, and Ruminococcus but inhibited major gut enterotypes (Bacteroides and Prevotella). Microbial community analysis from a synthetic gut microbiome model through co‐culture indicated the consistent GM change by emodin. Interestingly, emodin stimulated Clostridium and Ruminococcus (which are related to Roseburia and Faecalibacterium) in a mice experiment and induced anti‐inflammatory immune cells, which may correlate with its impact on specific gut bacteria.

CONCLUSION

Emodin (i) showed similar GM changes in monoculture, co‐culture, and in an in vivo mice experiment and (ii) simulated regulatory T‐cell immune responses in vivo. This suggest that emodin may be used to modulate the GM and improve health. © 2022 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Changing rural livelihood activities may reduce the effectiveness of ecological restoration projects
Authors: Dang Dongliang , Li Xiaobing , Li Shengkun , Li Xiang , Lyu Xin , Dou Huashun , Li Mengyuan , Liu Siyu , Xuan Xiaojing , Wang Kai
Published: September 2022

Understanding the mechanisms of ecological restoration project (ERP) effectiveness is essential for designing, implementing, and sustainably managing ERPs. It is worth noting that ERPs and parallel policies always lead to an interplay between socioeconomic systems and the ecosystem, and such processes can also have a significant impact on ERP effectiveness in addition to local environmental conditions. However, few studies have focused on this mechanism. Here, the agro‐pastoral ecotone in northern China, which is a key area containing several national ERPs, was used to analyze the above problem from the perspective of rural livelihood activities. Specifically, we identified changes in rural livelihood activities in the context of ERPs and analyzed the impact of changing activities' feedback effect on ERP effectiveness. The results showed that in addition to the afforestation and local environmental factors, changing rural livelihood activities significantly affected the ERP effectiveness through the direct or indirect pathway. Based on our results, we suggest policymakers need an integrated and systemic perspective and focus on the dynamic changes in rural livelihood activities in the context of ERPs and parallel policies. Our study helps to elucidate the complex mechanisms of ERP effectiveness with a social‐ecological perspective, thereby providing new insights and a theoretical basis for improving ERP effectiveness in China and around the world.
E‐shaped patch to reduction of higher mode H‐plane radiation and low cross‐polarization
Authors: Tan Dongsheng , Guo Chaozong , Zhai Huiqing , Liu Changyuan
Published: September 2022

In this study, a method is proposed to reduce the high cross‐polarization (XP) of the microstrip patch antenna by changing the current of the higher‐order resonant mode. The interference of the TM1/2,2 mode of the antenna to the TM3/2,0 mode is reduced by loading a pair of wide gaps and two short‐ended stubs. The lateral current that excites the nonradiation edge is effectively bent, which can reduce the XP while not damaging the main polarization radiation. The simulation and measurement results show that the cross‐polarization ratio of the antenna reaches 45.3 dB, and the suppression effect can be achieved over the entire range of the elevation angle. In addition, the proposed technology is simple, effective, and integrable.
Dual composite right/left‐handed unit with improved spurious performance and its application in wide‐stopband bandpass filter
Authors: Guo Fangzhou , Wu Qingzhi
Published: September 2022

A compact dual composite right/left‐handed (D‐CRLH) unit with improved spurious performance is presented in this study. The proposed D‐CRLH unit consists of an interdigital capacitance (IDC) and a microstrip section inductor (MSI). Compared with the traditional IDC, the proposed IDC is improved by connecting the ends of the alternate fingers through the metallic paths on the back of the substrate. Thus, the spurious resonance at low frequency is eliminated and the usable bandwidth of the IDC is extended. The meander slots are also exploited in each finger of the IDC to increase the series capacitance, which contributes to reducing the circuit size. Furthermore, the proposed D‐CRLH unit is applied in the wide stopband bandpass filter (BPF) design to demonstrate its practicability. The BPF is fabricated and measured for demonstration. The measured results are in good agreement with the simulated results.
Conformal transmitarray based on metasurface fed by miniaturized filtering antenna
Authors: Chengtian Song , Xiaowen Wang , Mengqian Deng , Zhihua Pang
Published: September 2022

To realize the requirements of 5G MIMO technology for high‐performance antennas, a novel high‐gain transmissive array antenna with conformal capability is designed in this study. The antenna consists of a single‐layer dielectric‐based conformal transmission array and a substrate‐integrated waveguide filter antenna. The transmission array is composed of a cross element and spiral elements that can achieve conformal capability. Each metasurface element is a single‐layer medium, and the same metasurface patches above and below are connected by four metal pillars. A filter antenna array fed by a substrate integrated with a waveguide fed by small‐scale low‐temperature cofired ceramic technology is used as the feed antenna of the transmission array. The physical test results are consistent with the simulation results, and the directivity of the antenna is greatly improved. The frequency range where the reflection coefficient S11 is less than −10 dB is 26.6–29.1 GHz. At the center frequency of 28.0 GHz, the gain of the conformal antenna array is greatly improved, and the peak gain is increased from 8.2 to 24.5 dB. The sidelobe level is substantially suppressed. Its high gain and beamforming characteristics make it have a high application value in 5G MIMO technology.
Ising Machines for Diophantine Problems in Physics
Authors: Abel Steven A. , Nutricati Luca A.
Published: September 2022

Diophantine problems arise frequently in physics, in for example anomaly cancellation conditions, string consistency conditions and so forth. We present methods to solve such problems to high order on annealers that are based on the quadratic Ising Model. This is the intrinsic framework for both quantum annealing and for common forms of classical simulated annealing. We demonstrate the method on so‐called Taxicab numbers (discovering some apparently new ones), and on the realistic problem of anomaly cancellation in U(1) extensions of the Standard Model.
Mapping of antibody epitopes based on docking and homology modeling
Authors: Desta Israel T. , Kotelnikov Sergei , Jones George , Ghani Usman , Abyzov Mikhail , Kholodov Yaroslav , Standley Daron M. , Sabitova Maria , Beglov Dmitri , Vajda Sandor , Kozakov Dima
Published: September 2022

Antibodies are key proteins produced by the immune system to target pathogen proteins termed antigens via specific binding to surface regions called epitopes. Given an antigen and the sequence of an antibody the knowledge of the epitope is critical for the discovery and development of antibody based therapeutics. In this work, we present a computational protocol that uses template‐based modeling and docking to predict epitope residues. This protocol is implemented in three major steps. First, a template‐based modeling approach is used to build the antibody structures. We tested several options, including generation of models using AlphaFold2. Second, each antibody model is docked to the antigen using the fast Fourier transform (FFT) based docking program PIPER. Attention is given to optimally selecting the docking energy parameters depending on the input data. In particular, the van der Waals energy terms are reduced for modeled antibodies relative to x‐ray structures. Finally, ranking of antigen surface residues is produced. The ranking relies on the docking results, that is, how often the residue appears in the docking poses' interface, and also on the energy favorability of the docking pose in question. The method, called PIPER‐Map, has been tested on a widely used antibody–antigen docking benchmark. The results show that PIPER‐Map improves upon the existing epitope prediction methods. An interesting observation is that epitope prediction accuracy starting from antibody sequence alone does not significantly differ from that of starting from unbound (i.e., separately crystallized) antibody structure.
Resistive Switching Characteristics of Fullerene (C60) in Polymannose Thin Film
Authors: Cheong Kuan Yew , Tayeb Ilias Ait , Zhao Feng
Published: September 2022

The effects of C60 incorporated in polymannose‐based resistive switching memory have been systematically investigated for the first time in bioorganic‐based resistive switching memory. C60 with different concentrations (0–7 wt%) is dispersed in polymannose precursor, drop‐casted on ITO/PET substrate, and dried to form a thin film. Electrochemically inert Au–Pd is used as top electrode. The devices with embedded C60 show better endurance and stability. Read memory window decreases and ON/OFF ratio increases as the concentration of C60 increases. Stable retention time up to 10 years is achieved for all of the devices except the one with 7 wt% C60. Based on zeta potential measurement, polymannose is more negatively charged than C60. Hence, C60 functions as an effective interlock that bridges between long molecular chains of polymannose and enhances the resistive switching properties of the polymannose thin film.
Quantitative Calculation of the Clustering Behavior of Fe‐Rich and Cr‐Rich REFepCr1−pO3 Crystals
Authors: Mo Jiajun , Liu Lebin , Zhang Qinghang , Liu Peijia , Xia Yanfang , Liu Min
Published: September 2022

This work has focused on the cluster state of B‐site ions in the rare‐earth perovskite REFepCr1−pO3, and GdFe0.5Cr0.5O3 is taken for instance. This analysis indicates a paramagnetic behavior of the system, which originates from the paramagnetic contribution of the Gd3+. An internal‐field model is used to simplify the superexchange interaction between the A/B‐sites. Furthermore, the cluster state of B‐site ions is computed using the average number of nearest‐neighborhoods. Using Marine Predator Algorithm to fit the experiment data, it is found that Fe–Cr interaction does not conform to the case of ferromagnetic superexchange; therefore, there is no spin glass behavior in this system. Via fitting the Mossbauer spectrum at low temperatures (120 and 12 K), the calculations described above are verified. The calculation gives the hyperfine‐field intervals of 2.47 and 0.92 T at 120 and 12 K. It is found that B‐site ions tend to form clusters. The arrangement of the ions is random and without the tendency of orderly interval occupation of ions (like double perovskite). The study sheds light on the mechanism of single‐ion clustering and introduces new methods for calculating single‐ion clustering states. It can also be applied to the case of other A‐site ions in perovskite system and is not just limited to p = 0.5 in REBpB’1−pO3.
Accuracy of intraoperative bone registration and stereotactic boundary reconstruction during total knee arthroplasty surgery
Authors: Herregodts Stijn , Vermue Hannes , Herregodts Jan , De Coninck Bert , Chevalier Amélie , Verstraete Matthias , De Baets Patrick , Victor Jan
Published: September 2022

Background

The intraoperative registration of the bones play a crucial role in image‐based computer‐assisted knee arthroplasty to achieve accurate implant placement and to create reliable stereotactic bone boundaries for robot‐assisted surgical systems.

Method

This study assessed the intraoperative registration accuracy on six intact fresh frozen cadavers.

Results

Rotational errors around the mechanical axis were the largest, with a standard deviation of 1.2° and outliers up to 3.7°. The mean translational errors were lower than 1 mm, with outliers up to 1.5 mm. These errors were amplified to 2 mm for the registration‐based reconstruction of the posterior bone surface at the resection levels.

Conclusion

Given the cumulative behaviour of surgical errors, registration errors can affect the final implant positioning. Furthermore, inaccuracies in the reconstructed bone boundary directly affect the virtual stereotactic boundaries used in robotic‐assisted surgery and can result in an incomplete resection or inadvertent soft tissue damage.
The Effect of Silicon Substitution in Indacenodithiophene‐Based A2‐A1‐D‐A1‐A2‐Type Nonfullerene Acceptors on the Performance of High‐Voltage Organic Solar Cells
Authors: Dai Tingting , Du Mengzhen , Wang Helin , Li Xianda , He Zehua , Meng Yuhan , Yang Fu , Tang Ailing , Geng Yanfang , Zhou Erjun
Published: September 2022

In recent years, the organic solar cells (OSCs) research hotspot is the modification of end groups and alkyl side chains of A‐DA’D‐A‐type nonfullerene acceptors (NFAs). However, the development of novel NFAs by changing the different bridged atom substitution of the central core is lagging behind. Herein, two wide‐bandgap A2‐A1‐D‐A1‐A2‐type NFAs with different central cores, namely BTA501 and BTA502, are developed to improve the photovoltaic performance of high‐voltage OSCs. BTA501 adopted an indacenodithiophene (IDT) core, whereas BTA502 applied a silaindacenodithiophene (SiIDT) core. Expectedly, the SiIDT‐based BTA502 exhibits a higher lowest unoccupied molecular orbital level and wider bandgap than BTA501, which thus enhances the open‐circuit voltage (V
OC) but slightly decreases the short‐circuit current density (J
SC) of OSCs. Moreover, the stronger self‐aggregation characteristics and weaker π–π stacking of BTA502 severely affect the exciton dissociation and charge transport. When blended with two classic p‐type polymers J52‐F and PTB7‐Th, both combinations based on BTA502 exhibit inferior device performance compared with BTA501. Excitingly, the device of J52‐F: BTA501 achieves a V
OC of 1.037 V with a power conversion efficiency of 11.82% and a J
SC of 15.89 mA cm−2, which are among the highest values for high‐voltage OSCs with V
OC above 1.0 V.
The role of risk mitigation actions in engineering projects: An empirical investigation
Authors: Shafqat Ali , Oehmen Josef , Welo Torgeir , Ringen Geir
Published: September 2022

Engineering‐heavy new product development (NPD) projects face unplanned design iterations, which can cause failure in terms of missed targets for cost, schedule, quality, and customer satisfaction. These unplanned design iterations can be understood as the occurrence of a specific category of engineering project risks. As a result, companies employ structured actions to mitigate these risks in projects. However, even with such strategies in place, projects can still struggle to achieve their targets. This study aims to explore how companies employ risk mitigation actions to manage risks in engineering‐based NPD projects. To investigate this topic, a survey of employees in the aerospace and defense industries was conducted. We analyzed the responses using statistical methods. The results indicate that risk mitigation actions are used according to thematic clusters, in line with our findings from the literature. Furthermore, the selected mitigation measures show collective explanatory power for handling engineering project risks, suggesting that while some projects that employ mitigation actions may still fail, their use of such measures does still reduce the overall impact of risks. Interestingly, the results of the statistical analysis show no significant difference in the employment of risk mitigation actions in engineering‐based NPD projects, whether they employ waterfall or agile NPD methods, or a mixture of both. These results suggest that companies should consider all classes of risk mitigation actions to manage engineering project risks. On this basis, the wider contextualization of individual mitigating actions should be taken into account when planning risk mitigation for engineering‐based NPD projects.
Towards Developing Metrics to Evaluate Digital Engineering
Authors: Henderson Kaitlin , McDermott Tom , Van Aken Eileen , Salado Alejandro
Published: September 2022

Model‐based systems engineering (MBSE) is an increasingly accepted practice in the Systems Engineering (SE) community, however, little has been done to empirically show that MBSE provides value. Furthermore, as the industry continues in the direction of digital transformation, MBSE will become a critical component of the larger Digital Engineering (DE) approach. This paper presents a measurement framework for selecting and developing appropriate metrics to assess the value/benefits of MBSE and subsequently DE. Utilizing expected benefits identified in a review of MBSE literature, a causal map was hypothesized to show how expected benefits (potential metrics) influence and relate to each other. This was done in order to systematically determine which benefits would be the most impactful to measure. The hypothesized causal model was presented for feedback to subject‐matter experts from a working group developing the first DE measurement framework. This group is a joint effort with industry, academia, and the USA government to develop DE metric standards. Once the causal map was finalized, a case study was used to partially validate the causal model. Based on the causal map and subsequent analysis, we can recommend the first metrics to be employed for DE/MBSE based on the most influential nodes of the causal model. The potential metric candidates include: system quality, defects, time, rework, ease of making changes, system understanding, Effort, accessibility of information, collaboration, project methods/processes, and use of DE/MBSE tools. We believe a concerted effort across the industry to focus on measuring these variables is the most effective way to establish proof of the value of MBSE and DE.
Glycine protects the male reproductive system against lead toxicity via alleviating oxidative stress, preventing sperm mitochondrial impairment, improving kinematics of sperm, and blunting the downregulation of enzymes involved in the steroidogenesis
Authors: Ommati Mohammad Mehdi , Ahmadi Hassan Nategh , Sabouri Samira , Retana‐Marquez Socorro , Abdoli Narges , Rashno Sajjad , Niknahad Hossein , Jamshidzadeh Akram , Mousavi Khadijeh , Rezaei Mohammad , Akhlagh Alireza , Azarpira Negar , Khodaei Forouzan , Heidari Reza
Published: September 2022

Lead (Pb) is a highly toxic heavy metal widely dispersed in the environment because of human industrial activities. Many studies revealed that Pb could adversely affect several organs, including the male reproductive system. Pb‐induced reproductive toxicity could lead to infertility. Thus, finding safe and clinically applicable protective agents against this complication is important. It has been found that oxidative stress plays a fundamental role in the pathogenesis of Pb‐induced reprotoxicity. Glycine is the simplest amino acid with a wide range of pharmacological activities. It has been found that glycine could attenuate oxidative stress and mitochondrial impairment in various experimental models. The current study was designed to evaluate the role of glycine in Pb‐induced reproductive toxicity in male mice. Male BALB/c mice received Pb (20 mg/kg/day; gavage; 35 consecutive days) and treated with glycine (250 and 500 mg/kg/day; gavage; 35 consecutive days). Then, reproductive system weight indices, biomarkers of oxidative stress in the testis and isolated sperm, sperm kinetic, sperm mitochondrial indices, and testis histopathological alterations were monitored. A significant change in testis, epididymis, and Vas deferens weight was evident in Pb‐treated animals. Markers of oxidative stress were also significantly increased in the testis and isolated sperm of the Pb‐treated group. A significant disruption in sperm kinetic was also evident when mice received Pb. Moreover, Pb exposure caused significant deterioration in sperm mitochondrial indices. Tubular injury, tubular desquamation, and decreased spermatogenic index were histopathological alterations detected in Pb‐treated mice. It was found that glycine significantly blunted oxidative stress markers in testis and sperm, improved sperm mitochondrial parameters, causing considerable higher velocity‐related indices (VSL, VCL, and VAP) and percentages of progressively motile sperm, and decreased testis histopathological changes in Pb‐exposed animals. These data suggest glycine as a potential protective agent against Pb‐induced reproductive toxicity. The effects of glycine on oxidative stress markers and mitochondrial function play a key role in its protective mechanism.
An exploration of polymer presence in magneto‐hydrodynamic flow and heat transfer past a magnetized stretching surface with effects of Joule heating
Authors: Athar Maria , Ahmad Adeel
Published: September 2022

The consequences of polymer presences on magneto‐hydrodynamic flow and heat transfer of a viscous fluid induced by a magnetized permeable heated stretching surface are studied in this article. The Lorentz force and Joule heating are also taken into consideration. The Oldroyd‐B model of polymers is used to study polymer presence which adds an extra stress in the mathematical model due to the polymer stretching. An iterative numerical scheme is opted to solve the set of ruling equations of the problem. Polymers stretch in the boundary layer region due to high velocity gradients. Polymer stretching reduces the zero‐shear viscosity near the surface but the polymeric viscosity (the total contribution of viscosity due to polymer addition) still remains positive, which cause velocity to reduce in the boundary layer region. Polymers are found to have no impact on the bulk. Skin friction along with heat and magnetic fluxes at the surface are evaluated with increasing polymer concentration. Zero polymer concentration represents the absence of polymers. Reduction in heat and magnetic fluxes and drag at the surface is observed in consequence of polymer addition. Polymer effects on skin friction, heat flux, and magnetic flux with respect to different values of magnetic force parameter, magnetic Prandtl number, magnetic interaction parameter, and the Eckert number are also thoroughly analyzed and graphically presented.
Dual‐phase‐lag thermoelastic diffusion analysis of a size‐dependent microplate based on modified fractional‐order heat conduction model
Authors: Tian Lingchen , Peng Wei , He Tianhu
Published: September 2022

With the rapid evolution of small‐scale devices, the effect of size dependence on elastic deformation becomes more and more obvious. Furthermore, the physical processes usually involve memory and inheritance for some anomalous diffusion that the constitutive relation does not obey the standard gradient rate. Owing to capturing the memory‐dependent effect and the size‐dependent effect, the existing thermoelastic diffusion theories cannot be applicable. To further refine the thermoelastic diffusion model for micro/nano structures, a refined nonlocal thermoelastic diffusion model is developed by combining the fractional‐order dual‐phase‐lag (DPL) heat conduction model and fractional‐order diffusion model in this paper. In addition, the Tempered‐Caputo (TC) definition is an extension of the Caputo definition without the fractional derivative of the singular kernel, which is adopted for the first time to reflect the memory‐dependent effects of heat conduction and stress–strain relationship. Then, this new model is applied to investigating the transient response of an elastic microplate subjected to a sinusoidal thermal loading. The corresponding governing equations are formulated and solved by the Laplace transform method and its numerical inversion. In calculation, the influences of the fractional‐order parameter, the tempered parameter and the nonlocal parameter on the variations of the considered quantities are presented and discussed in detail. It is expected to provide new insights into thermoelastic diffusion behaviors of structures at the micro/nanoscale.
Photothermal excitation and Thomson impact in a semiconductor microelongated thermoelastic medium with microtemperatures in the gravity
Authors: Hilal Mohamed I. M.
Published: September 2022

The heating of solids occurs due to the absorbed light from the heat source. Photothermal spectroscopy is a method of measuring the optical absorption and thermal properties of semiconductor materials using high‐sensitivity spectroscopic techniques. In the present paper, the harmonic solution as an analytical solution is provided to describe the semiconductor photothermal microelongated medium with microtemperatures in the gravity field. The proposed photothermal microelongated model is subjected to an induced magnetic field to observe the Thomson effect. The numerical calculations for the components of thermal stresses, displacement, temperature field, and carrier density are obtained using the harmonic solution approach. The propagation of heat, elastic, and plasma waves, as well as the distributions of each investigated field, were examined and explained. The comparison is also used to see how the gravity, Thomson effect, and the photo‐excitation have more observable effects on the distribution of the medium fields during their values changes. With the development of technologies, the semiconducting materials were used widely in modern engineering. The study of wave propagation in a semiconducting medium will have important academic significance and application value.
Multi-source and multi-stage metal mobilization during the tectonic evolution of the Central Lapland Greenstone Belt, Finland: implications for the formation of orogenic Au deposits
Authors: Patten C. G. C. , Molnár F. , Pitcairn I. K. , Kolb J. , Mertanen S. , Hector S.
Published: September 2022

Precambrian greenstone belts are prospective terrains for orogenic Au deposits worldwide, but the sources of Au, base metals, metalloids, and ligands enriched within the deposits are still debated. Metamorphic devolatilization is a key mechanism for generating Au-rich hydrothermal fluids, but the respective role of the metavolcanic and metasedimentary rocks present within these belts in releasing ore-forming elements is still not fully understood. The Central Lapland Greenstone Belt (CLGB), Finland, one of the largest Paleoproterozoic greenstone belts, hosts numerous orogenic Au deposits and is composed of variably metamorphosed volcanic and sedimentary rocks. Characterization of element behavior during prograde metamorphism highlights that (1) metavolcanic rocks release significant Au, As, Sn, Te, and possibly S; (2) metasedimentary rocks release significant S, C, Cu, As, Se, Mo, Sn, Sb, Te, and U, but limited Au; and (3) metakomatiite releases C and possibly Au. Throughout the CLGB metamorphic evolution, two main stages are identified for metal mobilization: (1) prograde metamorphism at ~ 1.92–1.86 Ga, promoting the formation of typical orogenic Au deposits and (2) late orogenic evolution between ~ 1.83 and 1.76 Ga, promoting the formation of both typical and atypical orogenic Au deposits. The complex lithologic diversity, tectonic evolution, and metamorphic history of the CLGB highlight that metal mobilization can occur at different stages of an orogenic cycle and from different sources, stressing the necessity to consider the complete dynamic and long-lasting evolution of orogenic belts when investigating the source of Au, ligands, metals, and metalloids in orogenic Au deposits.
Association of TRPV5, CASR, and CALCR genetic variants with kidney stone disease susceptibility in Egyptians through main effects and gene–gene interactions
Authors: Ali Fahmy T. , El-Azeem Eman M. Abd , Hekal Hala F. A. , El-Gizawy Mayada M. , Sayed Mohamed S. , Mandoh AbdAllah Y. , Soliman Ahmed F.
Published: September 2022

Kidney stone disease (KSD) represents an urgent medical problem because of increasing its prevalence. Several functional polymorphisms in genes involved in the renal handling of calcium were associated with KSD pathogenesis. Among those, the rs4236480 of transient receptor potential vanilloid member 5 (TRPV5) gene, the rs1801725 of calcium-sensing receptor (CASR) gene, and the rs1801197 of calcitonin receptor (CALCR) gene appear to be of great importance. Due to the scarce data on the Egyptians, this study aimed to evaluate the association of these candidate genetic variants with the risk of developing KSD in an Egyptian population. To do so, the biochemical parameters were measured along with the genotyping of the three polymorphisms using allelic discrimination assay in 134 KSD patients and 86 age and sex-matched healthy subjects. The results showed that the genotypic distributions and allelic frequencies of the studied variants were significantly different between cases and controls. The three polymorphisms increased the risk of KSD significantly under all the tested genetic models (OR ranges from 2.152 to 5.994), except for the recessive model of the CALCR rs1801197 polymorphism after Bonferroni correction. The gene–gene interaction analyzed by multifactor dimensionality reduction selected the three-locus combination as the best model associated with the susceptibility to KSD with OR 9.706. Further, synergistic interactions were identified between TRPV5 rs4236480 and CALCR rs1801197 variants and CASR rs1801725 and CALCR rs1801197 variants. In conclusion, the TRPV5 rs4236480, CASR rs1801725, and CALCR rs1801197 polymorphisms showed a significant association with the risk of KSD in the Egyptian population. Furthermore, their complex interactions might have an impact on the genetic susceptibility to develop KSD.