bluuebunny/crossref_metadata_2025 huggingface dataset:
High‐Performance n‐Channel Printed Transistors on Biodegradable Substrate for Transient Electronics
Authors: Dahiya Abhishek Singh , Zumeit Ayoub , Christou Adamos , Dahiya Ravinder
Published: April 2022

Innovative methods to fabricate and integrate biodegradable high‐grade electronics on green substrates are needed for the next generation of robust high‐performance transient electronics. This is also needed to alleviate the growing problem of electronic waste (e‐waste). Herein, the authors present the n‐channel silicon (Si) nanoribbons‐based high‐performance transistors developed on biodegradable metal (magnesium) foils using the direct transfer printing method. The developed transistors present high effective mobility of >600 cm2 V−1 s−1, high on/off current ratio (Ion/off) of >104, negligible hysteresis, transconductance of 0.19 mS, and an on‐current of 1.6 mA at a bias of 2 V. Further, the transistors show stable device performance under temperature stress (5–50 °C), gate‐bias stress, continuous long‐term transfer scans for 24 h (>3000 cycles), and aging test (up to 100 days) demonstrating the excellent potential for futuristic high‐performance robust transient devices and circuits. Finally, the effect of transience on the electrical functioning of devices on Mg foils (at pH 8) and degradation of Mg foils at different pH values is studied by hydrolysis. The outcome from these experiments demonstrates the potential of direct transfer printing for high‐performance transient electronics and also as the new avenue toward zero e‐waste.
Stable Al2O3 Encapsulation of MoS2‐FETs Enabled by CVD Grown h‐BN
Authors: Piacentini Agata , Marian Damiano , Schneider Daniel S. , González Marín Enrique , Wang Zhenyu , Otto Martin , Canto Bárbara , Radenovic Aleksandra , Kis Andras , Fiori Gianluca , Lemme Max C. , Neumaier Daniel
Published: April 2022

Molybdenum disulfide (MoS2) has great potential as a two‐dimensional semiconductor for electronic and optoelectronic application, but its high sensitivity to environmental adsorbents and charge transfer from neighboring dielectrics can lead to device variability and instability. Aluminum oxide (Al2O3) is widely used as an encapsulation layer in (opto)‐electronics, but it leads to detrimental charge transfer n‐doping to MoS2. Here, this work reports a scalable encapsulation approach for MoS2 field‐effect transistors (FETs) where hexagonal boron nitride (h‐BN) monolayers are employed as a barrier layer in‐between each of the Al2O3 and MoS2 interfaces. These devices exhibit a significant reduction of charge transfer, when compared to structures without h‐BN. This benefit of h‐BN in the gate stack is confirmed by ab initio density functional theory calculations. In addition, the devices with h‐BN layers show very low hysteresis even under ambient operating conditions.
Highly Selective Oxidative Dehydrogenation of Ethane to Ethylene via Chemical Looping with Oxygen Uncoupling through Structural Engineering of the Oxygen Carrier
Authors: Luongo Giancarlo , Donat Felix , Bork Alexander H. , Willinger Elena , Landuyt Annelies , Müller Christoph R.
Published: April 2022

The oxidative dehydrogenation of ethane (ODH) to produce ethylene offers advantages compared to the industry standard steam cracking, but its industrial application is hindered by costly air separation units needed to supply oxygen. A chemical‐looping‐based oxidative dehydrogenation (CL‐ODH) scheme is presented, in which oxygen carriers supply gaseous oxygen in situ, which then reacts with ethane in the presence of a catalyst at a comparatively low temperature (500 °C). A common challenge of chemical looping processes beyond combustion is to suppress the overoxidation of hydrocarbons to COx to enable high product yields. It is demonstrated that the overoxidation of ethane can be eliminated completely through structural engineering of the perovskite oxygen carrier involving alkali‐metal‐based carbonate coatings, while maintaining the materials’ ability to generate oxygen. Through CL‐ODH, higher ethylene selectivity (≈91%) and yields (≈39%) are achieved compared to the conventional ODH scheme without oxygen carrier and cofeeding air/ethane. 18O‐labeling experiments demonstrate that the carbonate layer functions like a diffusion barrier for ethane while being permeable for oxygen. Both the CL‐ODH scheme and the material design strategy can be extended to other catalytic oxidation or dehydrogenation reactions requiring oxygen at different temperatures, offering enormous potential to intensify such processes.
Visible‐Light‐Induced Arylcarboxylation of Enamides with CO2 and Aryl Iodides to Synthesize α‐Amino Acids
Authors: Zhang Meng , Yang Lei , Zhou Chunlin , Fu Lei , Li Gang
Published: April 2022

Utilization of carbon dioxide (CO2) via visible‐light photocatalysis is an attractive but challenging research area. Herein, we report a novel strategy of arylcarboxylation of enamides with CO2 and aryl iodides to generate a range of α,α‐disubstituted α‐amino acids via visible‐light photoredox catalysis under mild conditions. This three‐component coupling reaction rapidly delivers valuable α‐amino acids from readily available enamides and aryl iodides, providing a distinct tool for synthetic chemists.
Efficient Synthesis of Symmetrical and Unsymmetrical Disulfides Using a Continuous Flow Method
Authors: Lo Yung‐Han , Wang Li‐Yu , Duraisamy Tamilselvan , Govindan Karthick , Kandasamy Mohanraj , Lin Wei‐Yu
Published: April 2022

This study described an efficient synthesis of disulfide from two thiols in a continuous flow reactor, using 1‐chlorobenzotriazole (BtCl) as an oxidant. It has been demonstrated that this method is feasible with a variety of aliphatic and aromatic thiols to produce a corresponding disulfide under mild conditions. Productivity of this process is determined by a high yield, a wide range of functional group compatibility, and the fact that disulfide is readily available in a short timeframe. This method enables the simple synthesis of a series of symmetrical and unsymmetrical disulfides.
anti‐Selective Borylstannylation of Alkynes with (o‐Phenylenediaminato)borylstannanes by a Radical Mechanism
Authors: Suzuki Kensuke , Sugihara Naoki , Nishimoto Yoshihiro , Yasuda Makoto
Published: April 2022

We have achieved the first anti‐borylstannylation of alkynes by using (o‐phenylenediaminato)borylstannanes. This reaction afforded 1‐boryl‐2‐stannylalkenes with excellent regio‐ and stereoselectivity by a radical mechanism. This anti‐addition manner is in sharp contrast to the syn‐selectivity obtained during transition metal‐catalyzed borylstannylation. The mild radical conditions enabled a broad substrate scope, and various types of aromatic and aliphatic alkynes were applicable. The origin of regio‐ and stereoselectivity was elucidated by DFT calculation of the reaction mechanism. The application of the borylstannylation products to cross‐ or homocoupling reactions provided ready access to either triarylethenes or bisborylbutadienes.
Engineering processive cellulase of Clostridium thermocellum to divulge the role of the carbohydrate‐binding module
Authors: Ahmad Sajjad , Sajjad Muhammad , Altayb Hisham N. , Sarim Imam Syed , Alshehri Sultan , Ghoneim Mohammed M , Shahid Saher , Usman Mirza Muhammad , Shahid Nadeem Muhammad , Kazmi Imran , Waheed Akhtar Muhammad
Published: April 2022

The processive cellulase (CelO) is an important modular enzyme of Clostridium thermocellum. To study the effect of the carbohydrate‐binding module (CBM3b) on the catalytic domain of CelO (GH5), four engineered derivatives of CelO were designed by truncation and terminal fusion of CBM3b. These are CBM at the N‐terminus, native form (CelO‐BC, 62 kDa); catalytic domain only (CelO‐C, 42 kDa); CBM at the C‐terminus (CelO‐CB, 54 kDa) and CBM attached at both termini (CelO‐BCB, 73 kDa). All constructs were cloned into pET22b (+) and expressed in Escherichia coli BL21 (DE3) star. The expression levels of CelO‐C, CelO‐CB, CelO‐BC, and CelO‐BCB were 35%, 35%, 30%, and 20%, respectively. The enzyme activities of CelO‐C, CelO‐CB, CelO‐BC, and CelO‐BCB against 1% regenerated amorphous cellulose (RAC) were 860, 758, 985, and 1208 units per μmole of the enzyme, respectively. The enzymes were partially purified from the lysate of E. coli cells by heat treatment followed by anion exchange FPLC purification. Against RAC, CelO‐C, CelO‐CB, CelO‐BC, and CelO‐BCB showed KM values of 32, 33, 45, and 43 mg⋅mL–1 and Vmax values of 3571, 3846, 3571, and 4545 U⋅min–1, respectively. CBM3b at the N‐terminus of GH5 linked through a P/T‐rich linker was found to enhance the catalytic activity and thermostability of the enzyme.
Simple preparation of novel photochromic polyvinyl alcohol/carboxymethyl cellulose security barcode incorporated with lanthanide‐doped aluminate for anticounterfeiting applications
Authors: Alfi Alia Abdulaziz , Al‐Qahtani Salhah D. , Alatawi Nada M. , Attar Roba M. S. , Abu Al‐Ola Khulood , Habeebullah Turki M. , El‐Metwaly Nashwa M.
Published: April 2022

Forgery and low‐quality products pose a danger to society. Therefore, there are increasing demands for the production of easy‐to‐recognize and difficult‐to‐copy anticounterfeiting materials. Products with smart photochromic and fluorescence properties can change colour and emission spectra responding to a light source. In this context, we devised a straightforward preparation of a luminescent polyvinyl alcohol/carboxymethyl cellulose (PVA/CMC) nanocomposite to function as a transparent labelling film. The lanthanide‐doped aluminate (LdA) was prepared in the nanoparticle form to indicate diameters of 35–115 nm. Different ratios of the LdA were physically dispersed in the PVA/CMC nanocomposite label film to provide photochromic, ultraviolet protection, antimicrobial activity, and hydrophobic properties. Fluorescence peaks were detected at 365 and 519 nm to indicate a colour change to green. As a result of increasing the phosphor ratio, improved superhydrophobic activity was achieved as the contact angle was increased from 126.1° to 146.0° without affecting the film's original physical and mechanical properties. Both ultraviolet (UV) light protection and antibacterial activity were also investigated. The films showed a quick and reversible photochromic response without fatigue. The current strategy reported the development of a photochromic smart label that is transparent, cost effective, and flexible. As a result, numerous anticounterfeiting products can benefit from the current label for a better market. LdA‐loaded PVA/CMC films demonstrated antibacterial activity between poor, good, very good, and outstanding as the percentage of LdA in the film matrix increased. The current film can be applied as a transparent photochromic security barcode for anticounterfeiting applications and smart packaging.
A novel method for investigating the mechanism of the anti‐rheumatoid arthritis activity of Angelicae pubescentis radix by integrating UHPLC–QTOF/MS and network pharmacology
Authors: Wang Zhen , Liu Hui , Cao Yunxiang , Zhang Tiantian , Guo Hongyan , Wang Bin
Published: April 2022

The study aimed to establish a strategy to elucidate the in vivo constituents of Angelicae Pubescentis Radix (APR, also known as Duhuo) and reveal the probable mechanisms underlying its anti‐rheumatoid arthritis activity. First recorded by Shennong Bencao Jing, APR is mainly used to treat Bi syndrome. Eleven absorbed components of APR were successfully identified using the rheumatoid arthritis (RA) rat model and the UHPLC–QTOF/MS technique. Two active ingredients (osthole and columbianadin) and five corresponding targets (PTGS1, PTGS2, RXRA, CCNA2 and ACHE) were found to construct a compound–protein interaction network in RA. In addition, a non‐alcoholic fatty liver disease pathway, which was related to anti‐RA activity, was eventually identified by KEGG analysis. Subsequently, molecular docking was performed by establishing a mixed matrix network, including the absorbed component, corresponding target and signaling pathway with two key compounds (osthole and columbianadin) and two important targets (PTGS2 and PTGS1). The result of molecular docking is in agreement with the network pharmacology.
Improvement of poststroke cognitive impairment by intermittent theta bursts: A double‐blind randomized controlled trial
Authors: Li Wen , Wen Qian , Xie Yu‐Han , Hu An‐Li , Wu Qing , Wang Yin‐Xu
Published: April 2022

Background

Intermittent theta burst stimulation (iTBS) is known to improve cognitive impairment caused by Alzheimer's disease and Parkinson's disease, but studies are lacking with respect to the efficacy of iTBS on poststroke cognitive impairment (PSCI).

Objective

This study was conducted to investigate the effect of left dorsolateral prefrontal cortex (DLPFC) iTBS on improving cognitive function in stroke patients.

Methods

Fifty‐eight patients with PSCI are randomly divided into iTBS (n = 28) and sham stimulation groups (n = 30). Both groups receive routine cognitive‐related rehabilitation. The iTBS group is treated with iTBS intervention of the left DLPFC, and the sham stimulation group is treated with the same parameters at the same site for 2 weeks. Outcome measures are assessed at baseline (T0) and immediately after the last intervention (T1) by mini‐mental state examination (MMSE), Oxford cognitive screen, and event‐related potential P300.

Results

There are no differences in baseline clinical characteristics between the two groups. After intervention, the MMSE scores and P300 amplitude increase significantly for both groups, and the P300 incubation period reduces significantly. The change value of the iTBS group is significantly higher than that of sham stimulation group (p < .05). Compared with the sham stimulation group, the iTBS group has more significant changes in semantic comprehension and executive function (p < .05).

Conclusion

iTBS can effectively and safely improve overall cognitive impairment in stroke patients, including semantic understanding and executive function, and it also has a positive impact on memory function. Future randomized controlled studies with large samples and long‐term follow‐up should be conducted to further validate the results of the present study
Does environmental sustainability attract foreign investment? Evidence from developing countries
Authors: Opoku Eric Evans Osei , Acheampong Alex O. , Dzator Janet , Kufuor Nana Kwabena
Published: April 2022

This study contributes to the literature by investigating the effect of environmental degradation on foreign direct investment (FDI) using comprehensive panel data from 103 developing countries between 1970 and 2019. In this study, nine variables, namely, CO2 emissions, total greenhouse gas emissions, methane emissions, PM2.5, nitrous oxide emissions, ecological footprint of consumption, ecological footprint of production, total area (ecological footprint), and total biocapacity, were used to measure environmental degradation/sustainability. Using Lewbel's two‐stage least squares to control endogeneity issues, the result from the aggregated sample indicates that while CO2 emissions significantly reduce FDI, the remaining environmental degradation variables stimulate FDI. Further analysis reveals that, generally, environmental degradation boosts FDI flows to low and lower‐middle income countries while reducing FDI flows to upper‐middle income countries. The regional analysis also shows that environmental degradation generally reduces FDI flows to Europe and Central Asia, and the Middle East and North Africa regions while stimulating FDI flows to South Asia, Sub‐Saharan Africa, Latin America, and the Caribbean. Environmental degradation was found to have a neutral effect on FDI flows to East Asia and the Pacific. These results are robust to alternative econometric techniques. The policy implications are discussed.
Dual‐constrained and primal‐constrained principal component analysis
Authors: Andries Erik , Nikzad‐Langerodi Ramin
Published: April 2022

Uniform Manifold Approximation and Projection (UMAP) and related manifold embedding techniques generate nonlinear projections of high‐dimensional data onto low‐dimensional subspaces. However, due to the nonlinearity of these methods, there is no analogous transformation matrix (i.e., the loadings or eigenvectors) that allows one to see the corresponding relationship between each sample location and each feature (e.g., wavelength). We propose a mechanism that embeds the pairwise distance structure of UMAP‐type embeddings into the machinery of principal component analysis such that one can recover an approximate set of loading vectors associated with the intrinsic topology of high‐dimensional data.
Pharmacokinetics and Bioequivalence of Misoprostol Tablets: An Open‐Label, Randomized, Single‐dose, Crossover Study With Healthy Chinese Volunteers
Authors: Wang Shumin , Wu Feng , Han Ying , Ni Siyang , Guo Shaojie , Dai Yuyang , Xia Qiang , Chang Di , Zhang Ju , Wei Huiwen , Zhao Xiuli
Published: April 2022

Misoprostol is a synthetic prostaglandin E1 derivative that has been used to treat duodenal and gastric ulcers, and to prevent ulcers caused by nonsteroidal anti‐inflammatory drugs in many countries. Misoprostol can also be used for medical abortion. This study aimed to investigate the pharmacokinetic profiles of misoprostol tablets (test product) by comparing them with Cytotec (200 μg) (reference product). To assess the bioequivalence between test and reference products, a two‐sequence, two‐period crossover study was conducted with 48 healthy Chinese subjects enrolled under fasting conditions. A validated liquid chromatography‐tandem mass spectrometry (LC‐MS/MS) assay was used to determine the concentration of misoprostol acid in plasma. A mixed model analysis of variance was used to calculate the bioequivalence of pharmacokinetic (PK) parameters. The point estimate of geometric mean ratios with 90% confidence intervals for the maximum observed concentration (Cmax) and the area under the concentration‐time curve (AUC0‐t) for misoprostol acid in reference and test products were 107.8% and 106.5%, respectively (range 80%–125%). Additionally, none of the secondary PK parameters presented significant differences. No severe or more than moderate adverse events were detected in the 48 subjects. However, one subject discontinued the treatment due to drug‐related gastrointestinal reactions. All adverse events were mild with rates of 19.2% and 22.9% after the administration test and reference products, respectively. Overall, the bioequivalence between the two misoprostol products was demonstrated in fasting conditions, and all subjects tolerated both treatments.
Analysis of Patent and Regulatory Exclusivity for Novel Agents in China and the United States: A Cohort Study of Drugs Approved Between 2018 and 2021
Authors: Luo Xingxian , Yang Lina , Du Xin , Yang Jingshu , Qian Feng , Yang Yue
Published: April 2022

Patent and regulatory exclusivity shall constitute incentives for pharmaceutical companies to develop new drugs. This study aims to investigate the differences in the patent term extension (PTE) and regulatory exclusivity between China and the United States, and to evaluate their potential impact on the market exclusivity period of novel drugs. Small‐molecule novel drugs with their first indication approved in China and the United States between 2018 and 2021 were evaluated regarding their PTE and regulatory exclusivity. The PTE length of the China‐approved drugs was calculated by simulation, whereas that of the US‐approved drugs was extracted from the United States Patent and Trademark Office. Thirty‐two and 107 novel drugs approved in China and the United States, respectively, were included in the study. The PTE length of the US‐approved drugs calculated by the China‐PTE method was significantly longer than that calculated by the US‐PTE method. Patent extensions should be granted for 91% of new drugs in China and 82% in the United States. The simulated median PTE length of novel drugs approved in China was significantly higher than that of the United States (5.0 vs. 2.9 years, P < 0.05). It can be expected that the implementation of the PTE policy in China would significantly extend the period of market exclusivity for novel drugs similar to that of the United States. China should fully evaluate the potential impact of the PTE policy on the market exclusivity of novel drugs and provide better incentives to the development of novel drugs in addressing unmet clinical needs when developing its regulatory exclusivity policy.
An efficient DC‐DC converter for inductive power transfer in low‐power sensor applications
Authors: Lu Ruikuan , Hossain Md. Kamal , Alexander J. Iwan , Massoud Yehia , Haider Mohammad R.
Published: April 2022

Inductive power transfer has become an emerging technology for its significant benefits in many applications, including mobile phones, laptops, electric vehicles, implanted bio‐sensors, and internet of things (IoT) devices. In modern applications, a direct current–direct current (DC–DC) converter is one of the essential components to regulate the output supply voltage for achieving the desired characteristics, that is, steady voltage with lower peak ripples. This paper presents a switched‐capacitor (SC) DC–DC converter using complementary architecture to provide a regulated DC voltage with an increased dynamic response. The proposed topology enhances the converter efficiency by decreasing the equivalent output resistance to half by connecting two symmetric SC single ladder converters. The proposed converter is designed using the standard 130‐nm BiCMOS process. The results show that the proposed architecture produces 327‐mV DC output with a rise time of 60.1 ns and consumes 3.449‐nW power for 1.0‐V DC supply. The output settling time is 43.6% lower than the single‐stage SC DC–DC converter with an input frequency of 200 MHz. The comparison results show that the proposed converter has a higher power conversion efficiency of 93.87%and a lower power density of 0.57 mW/mm2compared to the existing works.
A low power CMOS programmable gain amplifier employing positive feedback technique
Authors: Firouz Samira , Najafiaghdam Esmaeil , Jafarnejad Roya
Published: April 2022

This paper presents a low power CMOS programmable gain amplifier (PGA) utilizing a novel gm‐boosting technique to increase the maximum achievable DC gain. The structure increases the effective transconductance of the circuit without any additional elements. The gain enhancement is accomplished without increasing the power consumption. The variable gain function is achieved by varying the effective transconductance of the circuit and its output resistance. The proposed PGA achieves a wide gain range of 47.5 dB from 2.1 to 49.6 dB with a constant bandwidth. According to the post‐layout simulation results of the proposed circuit in 0.18‐μm TSMC CMOS process the bandwidth and the input referred noise voltage at the maximum gain are 11.3 MHz and 10.76 nV/sqrt (Hz), respectively. The second and third harmonic distortions of the proposed PGA at the minimum gain are less than −72.4 and −40.7 dB, respectively. The core circuit of proposed PGA draws only 164 μA from a 1.2‐V supply voltage occupying an area of 29 μm * 26 μm.
Long noncoding RNA LINC01606 protects colon cancer cells from ferroptotic cell death and promotes stemness by SCD1–Wnt/β‐catenin–TFE3 feedback loop signalling
Authors: Luo Yajun , Huang Siqi , Wei Jinlai , Zhou He , Wang Wuyi , Yang Jianguo , Deng Qican , Wang Hao , Fu Zhongxue
Published: April 2022

Background

Ferroptosis is principally caused by iron catalytic activity and intracellular lipid peroxidation. Long
noncoding RNAs (lncRNAs) play crucial roles in tumorigenesis. However, the potential interplay between lncRNA
LINC01606 and ferroptosis in colon cancer remains elusive.

Methods

The expression level of LNC01606 in colon cancer tissue was detected by quantitative real‐time polymerase chain reaction. The functional role of LNC01606 was investigated by gain‐ and loss‐of‐function assays both in vitro and in vivo. The LINC01606‐SCD1‐Wnt/β‐catenin‐TFE3 axis were screened and validated by DNA/RNA pull down, gas chromatography‐mass spectrometry, RNA immunoprecipitation and dual‐luciferase reporter.

Results

The expression of lncRNA LINC01606 was frequently upregulated in human colon cancer and strongly
associated with a poor prognosis. LINC01606 functioned as an oncogene and promotes colon cancer cell growth,
invasion and stemness both in vitro and in vivo. Moreover, LINC01606 protected colon cancer cells from ferroptosis by decreasing the concentration of iron, lipid reactive oxygen species, mitochondrial superoxide and increasing mitochondrial membrane potential. Mechanistically, LINC01606 enhanced the expression of stearoyl‐CoA desaturase 1 (SCD1), serving as a competing endogenous RNA to modulate miR‐423‐5p expression, subsequently activating the canonical Wnt/β‐catenin signaling, and transcription factor binding to IGHM enhancer 3 (TFE3) increased LINC01606 transcription after recruitment to the promoter regions of LINC01606. Furthermore, we confirmed that upregulated LINC01606 and Wnt/β‐catenin formed a positive feedback regulatory loop, further inhibiting ferroptosis and enhancing stemness.

Conclusions

LINC01606 functions as an oncogene to facilitate tumor cell stemness, proliferation and inhibit ferroptosis and is a promising therapeutic target for colon cancer.
FAIR research data management as community approach in bioengineering
Authors: Rehnert Martina , Takors Ralf
Published: April 2022

Research data management (RDM) requires standards, policies, and guidelines. Findable, accessible, interoperable, and reusable (FAIR) data management is critical for sustainable research. Therefore, collaborative approaches for managing FAIR‐structured data are becoming increasingly important for long‐term, sustainable RDM. However, they are rather hesitantly applied in bioengineering. One of the reasons may be found in the interdisciplinary character of the research field. In addition, bioengineering as application of principles of biology and tools of process engineering, often have to meet different criteria. In consequence, RDM is complicated by the fact that researchers from different scientific institutions must meet the criteria of their home institution, which can lead to additional conflicts. Therefore, centrally provided general repositories implementing a collaborative approach that enables data storage from the outset In a biotechnology research network with over 20 tandem projects, it was demonstrated how FAIR‐RDM can be implemented through a collaborative approach and the use of a data structure. In addition, the importance of a structure within a repository was demonstrated to keep biotechnology research data available throughout the entire data lifecycle. Furthermore, the biotechnology research network highlighted the importance of a structure within a repository to keep research data available throughout the entire data lifecycle.
On the DLM/FD methods for simulating neutrally buoyant swimmers moving in non‐Newtonian shear thinning fluids
Authors: Li Ang , Pan Tsorng‐Whay , Glowinski Roland
Published: April 2022

In this article we discuss the generalization of a Lagrange multiplier based fictitious domain (DLM/FD) method to simulating the motion of neutrally buoyant particles of non‐symmetric shape in non‐Newtonian shear‐thinning fluids. Numerical solutions of steady Poiseuille flow of non‐Newtonian shear‐thinning fluids are compared with the exact solutions in a two‐dimensional channel. Concerning a self‐propelled swimmer formed by two disks, the effect of shear‐thinning makes the swimmer moving faster and decreases the critical Reynolds number (for the moving direction changing to the opposite one) when decreasing the value of the power index n in the Carreau‐Bird model.
An efficient and accurate implicit DG solver for the incompressible Navier–Stokes equations
Authors: Orlando Giuseppe , Della Rocca Alessandro , Barbante Paolo Francesco , Bonaventura Luca , Parolini Nicola
Published: April 2022

We propose an efficient, accurate, and robust implicit solver for the incompressible Navier–Stokes equations, based on a DG spatial discretization and on the TR‐BDF2 method for time discretization. The effectiveness of the method is demonstrated in a number of classical benchmarks, which highlight its superior efficiency with respect to other widely used implicit approaches. The parallel implementation of the proposed method in the framework of the deal.II software package allows for accurate and efficient adaptive simulations in complex geometries, which makes the proposed solver attractive for large scale industrial applications.
Pharmacists closing health disparity gaps through pharmacogenomics
Authors: Formea Christine M. , Schultz April J. , Empey Philip E.
Published: April 2022

As the health care community recognizes the need to address health disparities, practitioners are working diligently to promote health equity. It is each of our responsibilities to identify and work to overcome barriers to equitable health care that our patients experience. Many factors contribute to health care disparities across the country, and because of this, health care providers must employ different strategies to resolve gaps in equity. Precision medicine and its constituent element of pharmacogenomics offer a unique opportunity to lead the way in serving patients as individuals with varying needs. Pharmacogenomics can be used as a solution for breaking down barriers including the lack of diversity in research, access for rural or underserved geographical locations, overcoming economic factors, improving education, and increasing technological portability. In this article, we review how clinical pharmacists using pharmacogenomics can play a key role in identifying and overcoming some of these barriers that lead to health care disparities.
Premature attrition of clinical pharmacists: Call to attention, action, and potential solutions
Authors: Rech Megan A. , Jones G. Morgan , Naseman Ryan W. , Beavers Craig
Published: April 2022

Clinical pharmacists are highly trained professionals who provide comprehensive medication management across a majority of health care settings. These clinicians have numerous responsibilities, which may include teaching, administrative, and scholarly responsibilities in addition to patient care activities. Many clinical pharmacists report a high degree of burnout and stress. In addition, practice models with limited options for buy‐downs or stipends (eg, for committees, projects, or residency program director roles), inability to generate revenue for services provided, public perception, and little upward mobility for career advancement have led to a perceived trend of clinical pharmacists leaving practice to pursue careers removed from patient care that favor work‐life balance. The purpose of this review is to summarize factors associated with premature attrition of clinical pharmacists, call attention to this trend, and provide suggestions for improvements.
How body patterning might have worked in the evolution of arthropods—A case study of the mystacocarid Derocheilocaris remanei (Crustacea, Oligostraca)
Authors: Fritsch Martin , Richter Stefan
Published: April 2022

Body organization within arthropods is enormously diverse, but a fusion of segments into “functional groups” (tagmatization) is found in all species. Within Tetraconata/Pancrustacea, an anterior head, a locomotory thorax region, and a posterior, mostly limbless tagma known as the abdomen is present. The posterior‐most tagma in crustaceans is frequently confused with the malacostracan, for example, decapod pleon often misleadingly termed abdomen, however, its evolutionary and developmental origin continues to pose a riddle, especially the completely limbless abdomen of the “entomostracan morphotype” (e.g., fairy shrimps). Since the discovery of Hox genes and their involvement in specifying the morphology or identity of segments, tagmata, or regions along the anteroposterior axis of an organism, only a few studies have focused on model organisms representing the “entomostracan morphotype” and used a variety of dedicated Hox genes and their transcription products to shine light on abdomen formation. The homeotic genes or the molecular processes that determine the identity of the entomostracan abdomen remain unknown to date. This study focuses on the “entomostracan morphotype” representative Derocheilocaris remanei (Mystacocarida). We present a complete overview of development throughout larval stages and investigate homeotic gene expression data using the antibody FP6.87 that binds specifically to epitopes of Ultrabithorax/Abdominal‐A proteins. Our results suggest that the abdomen in Mystacocarida is bipartite (abdomen I + abdomen II). We suggest that the limbless abdomen is an evolutionary novelty that evolved several times independently within crustaceans and which might be the result of a progressive reduction of former thoracic segments into abdominal segments.
Synthesis and insecticidal activity of novel 1,2,4‐triazole containing amidine moiety
Authors: Zhao Fenghai , Liu Yanfei , Qin Zhaohai , Wu Yanhua , Xiao Yumei , Li Jia‐Qi
Published: April 2022

Under the guidance of molecular hybridization, a series of compounds containing neonicotinoid and amidine fragments were designed and synthesized. The biological activities were evaluated againstPlutella xylostellaandAphis gossypii. Most of these compounds showed good activities withAphis gossypiiat the concentration of 500 μg/ml. The Structure–activity relationship analysis showed length and size of the alkyl group on the 1,2,4‐triazole skeleton have a significant impact on the insecticidal activity.
Parametric G‐computation for compatible indirect treatment comparisons with limited individual patient data
Authors: Remiro‐Azócar Antonio , Heath Anna , Baio Gianluca
Published: April 2022

Population adjustment methods such as matching‐adjusted indirect comparison (MAIC) are increasingly used to compare marginal treatment effects when there are cross‐trial differences in effect modifiers and limited patient‐level data. MAIC is based on propensity score weighting, which is sensitive to poor covariate overlap and cannot extrapolate beyond the observed covariate space. Current outcome regression‐based alternatives can extrapolate but target a conditional treatment effect that is incompatible in the indirect comparison. When adjusting for covariates, one must integrate or average the conditional estimate over the relevant population to recover a compatible marginal treatment effect. We propose a marginalization method based on parametric G‐computation that can be easily applied where the outcome regression is a generalized linear model or a Cox model. The approach views the covariate adjustment regression as a nuisance model and separates its estimation from the evaluation of the marginal treatment effect of interest. The method can accommodate a Bayesian statistical framework, which naturally integrates the analysis into a probabilistic framework. A simulation study provides proof‐of‐principle and benchmarks the method's performance against MAIC and the conventional outcome regression. Parametric G‐computation achieves more precise and more accurate estimates than MAIC, particularly when covariate overlap is poor, and yields unbiased marginal treatment effect estimates under no failures of assumptions. Furthermore, the marginalized regression‐adjusted estimates provide greater precision and accuracy than the conditional estimates produced by the conventional outcome regression, which are systematically biased because the measure of effect is non‐collapsible.
Orodispersible films based on jambolan juice and natural extracts: Development, characterization and sensory evaluation
Authors: da Costa Bianca S. , Chambi Hulda N. M. , Kassardjian Daniel C. , Schmidt Flávio L.
Published: April 2022

Background

The orodispersible films (ODFs) are ultra‐thin films that dissolve rapidly within the oral cavity. These can be used to carry vitamins, nutraceutical compounds and drugs. Generally, its formulated with synthetic polymers and artificial colorants. Due to growing consumer interest in healthier products, it is necessary to study the use of natural materials for ODF production, such as fruit juices and natural extracts. In this study, ODFs were prepared using pectin, jambolan juice and extracts of guaco, pomegranate, clove or cinnamon in different concentrations. The impact of the addition of natural extracts in different concentrations was evaluated by the following properties of the films: swelling, disintegration time, tensile strength, elongation at break, Young's modulus, work of adhesion, visual and sensory.

Results

The films showed a visually homogeneous purple color, slowly disintegrating (from 1.1 ± 0.1 to 2.2 ± 0.1 min), flexible, and adherent enough independently of the extract used. The anthocyanin present in the jambolan juice (6.58 ± 0.02 mg g−1) contributed higher antioxidant capacity shown by the ODF (198–292 μMol TEg−1). The sensory evaluation reveals that the films presented adequate acceptance for a new kind of product.

Conclusion

The results indicate the use of jambolan juice and natural extracts is suitable for the formulation of ODFs as a healthy product, maintaining technological properties.
Low disease awareness as a contributing factor to the high prevalence of hepatitis C infection in Tzukuan, a hyperendemic area of southern Taiwan
Authors: Tsai Pei‐Chien , Dai Chia‐Yen , Huang Ching‐I , Yeh Ming‐Lun , Huang Chung‐Feng , Hsieh Meng‐Hsuan , Yang Jeng‐Fu , Hsu Po‐Yao , Liang Po‐Cheng , Lin Yi‐Hung , Jang Tyng‐Yuan , Hsieh Ming‐Yen , Lin Zu‐Yau , Chen Shinn‐Chern , Huang Jee‐Fu , Yu Ming‐Lung , Chuang Wan‐Long , Chang Wen‐Yu
Published: April 2022

Understanding the barriers and tackling the hurdles of hepatitis C virus (HCV) care cascades is key to HCV elimination. The current study aimed to investigate the rates of disease awareness, link‐to‐care, and treatment uptake of HCV in a hyperendemic area in Taiwan. Tzukuan residents from 2000 to 2018 were invited to participate in the questionnaire‐based interviews for HCV. The rates of disease awareness, accessibility, and anti‐HCV therapy were evaluated in anti‐HCV‐seropositive participants. Among 10,348 residents, 1789 (17.3%) were anti‐HCV seropositive. Of these 1789 anti‐HCV‐seropositive participants, data of 594 participants from questionnaire‐based interviews in 2005–2018 were analyzed for HCV care cascades. Overall, 24.9% of anti‐HCV‐seropositive HCV participants had disease awareness, 53.9% of aware participants had accessibility, and 79.8% of assessed participants had received HCV treatment, with a community effectiveness of 10.7%. HCV prevalence decreased over time, from 21.2% in the early cohort to 9.3% in the recent cohort. Disease awareness increased over time, from 15.6% to 41.7%, with the community effectiveness increasing from 1.3% to 28.8%. Lower education levels and normal liver biochemistry were associated with a lower rate of disease awareness. Notably, 68% of participants with abnormal liver biochemistry and 69% of those with advanced fibrosis (FIB‐4 > 3.25) were unaware of their HCV disease. We demonstrated huge gaps in disease awareness, link‐to‐care, and treatment uptake in the HCV care cascade in an HCV‐hyperendemic area, even in the initial era of direct‐acting antiviral agents. There is an urgent need to overcome these hurdles to achieve HCV elimination.
Interactions between the soil bacterial community assembly and gene regulation in salt‐sensitive and salt‐tolerant sweet sorghum cultivars
Authors: Wu Fenghui , Yang Jie , Zheng Hongxiang , Zhang Fangning , Li Simin , Chen Zengting , Sui Na
Published: April 2022

Complex bacterial communities in the rhizosphere play a crucial role in plant growth and stress tolerance. These communities vary across cultivars and external environments. However, the influences of salt stress on the structural composition of bacterial microbiome and gene expression of salt‐sensitive and salt‐tolerant sweet sorghum (Sorghum bicolor L. Moench) cultivars have not been studied sufficiently. Here, we employed a combination of 16S rRNA gene profiling and RNA‐seq analysis to characterize changes in root‐associated microbiomes and determine differentially expressed genes (DEG) in the roots of salt‐tolerant M‐81E and salt‐sensitive 'Roma' var. sweet sorghum cultivars under soil conditions with/without salinity. Results revealed that the two contrasting sweet sorghum genotypes selectively filtered and recruited distinct root microbiota in response to salt stress. M‐81E‐enriched bacterial taxa were more diverse and exhibited a higher abundance of metabolic functions than Roma‐enriched taxa. M‐81E‐associated bacterial co‐occurrence networks were more complex and harboured more positive links than Roma‐associated bacterial networks. Furthermore, nine DEG were identified as core salt‐responsive genes and were central to the salt tolerance of sweet sorghum. Correlation analysis revealed that the expression of HSP70, a molecular chaperone, is linked to the recruitment of numerous M‐81E‐enriched bacteria; their relationship needs further exploration. The study supplements the comprehension of the potential role of host–microbe interactions in the response of sweet sorghum to salt stress.
Impact of planting Lycium barbarum L. on the carbon–land–water nexus of a Haloxylon ammodendron nature reserve in the Qaidam basin, China
Authors: Yang Yunshun , Zong Ying , Qin Rongzhu , Wei Huihui , Ma Yushou , Zhang Feng
Published: April 2022

Desert ecosystems are an important component of terrestrial ecosystems and land use change directly affects their composition and function. However, there have been few studies on how land use change impacts the carbon–land–water nexus in desert ecosystems. We studied the effects of replacing sacsaoul (Haloxylon ammodendron), a typical natural vegetation in the Qaidam basin, China, with artificially planted goji berry (Lycium barbarum L.) using the denitrification‐decomposition (DNDC) model. Our results showed that DNDC model coefficient of determination () and Nash‐Sutcliffe modelling efficiency (NSE) both reached 0.92 for sacsaoul and goji berry, and the root mean square error (RMSE) of the simulation was 495 kg ha−1 and 116 kg ha−1 for sacsaoul and goji berry, respectively. The land use change from sacsaoul to goji berry induced a significant increase in global warming potential (GWP) and the water footprint, but decreased the water user efficiency (WUE). The WUE decreased by 1.2, 2.9, and 3.5 kg m−3 for the core zone, buffer zone, and experimental zone when the land cover changed from sacsaoul to goji berry, respectively. Meanwhile, the total water footprint and the GWP increased 2214 m3 t−1 and 4744 CO2 eq. ha−1, 2295 m3 t−1 and 5297 CO2 eq. ha−1, and 2316 m3 t−1 and 5224 CO2 eq. ha−1 for the core zone, buffer zone, and experimental zone, respectively. In conclusion, we suggest that the maintenance of natural vegetation (sacsaoul) in desert ecosystems may be the optimal choice to cope with climate change and mitigate land desertification.
Comparing Microwave and Classical Synthesis of Oxymethylene Dimethyl Ethers
Authors: Endres Patrick , Zechel Stefan , Winter Andreas , Hager Martin D. , Schubert Ulrich S.
Published: April 2022

Polyoxymethylene dimethyl ethers (OMEn) are considered as substituents or additives for fossil diesel fuel. Efficiency of the synthesis is crucial for the development of industrial scale production plants. Therefore, the design of suitable catalysts and the efficient heating play important roles in OME fuel synthesis. In this work, microwave‐assisted synthesis (MAS) is carried out and compared to a classical approach using standard thermal heating. Different polymeric materials, e.g., Amerlyst15, are utilized as catalysts, and screened for the catalytic synthesis of OME. Within this approach, the kinetics of the reaction are analyzed in detail.
Modeling Low‐Density Polyethylene (LDPE) Production in Tubular Reactors: Connecting Polymerization Conditions with Polymer Microstructure and Rheological Behavior
Authors: Dietrich Maira L. , Sarmoria Claudia , Brandolin Adriana , Asteasuain Mariano
Published: April 2022

The production of low‐density polyethylene (LDPE) in high‐pressure tubular reactors is widely studied due to its extensive use worldwide. Reaction conditions have a crucial impact on the polymer molecular architecture, which, in turn, influences the rheological behavior of the polymer in the molten state, a very important variable during subsequent processing. Up to now, the relationships between reactor polymerization conditions, polymer microstructure, and final rheological properties are not completely established, although they could be a very useful tool for rapid process control and optimization. This work presents an integrated model of the high‐pressure polymerization of ethylene in tubular reactors, consisting of the combination of a deterministic model of the tubular reactor that calculates molecular properties of the polymer and an empirical rheological model for branched molecules. The integrated model predicts conversion, temperature, and average molecular properties, as well as the bivariate molecular weight‐long chain branching distribution, the branching index, and the shear viscosity flow curve for LDPE under different operating conditions. Results compare well with experimental data of an actual industrial reactor. Additionally, the effect of polymerization conditions on molecular and rheological properties is analyzed.
Trendbericht Physikalische Chemie 2022: In‐situ‐Spektroskopie und Katalyse
Authors: Geitner Robert
Published: April 2022

Die Aufklärung von Reaktionsmechanismen ist in der Katalyse wichtig, um die geschwindigkeitsbegrenzende Schritte zu verstehen und zu beschleunigen. Mit maschinellem Lernen lassen dann sich auf Basis der Mechanismen neue Katalysatoren entwickeln. Photochemische Umsetzungen in weichen Membranen folgen einer anderen Kinetik als Reaktionen in Lösung. Mikroschwimmer, Mikromotoren oder Phototaxis zählen zu aktiver Materie. Sie wandeln kontinuierlich Energie aus ihrer Umgebung um und bewegen sich autonom.
Trendbericht Physikalische Chemie 2022: Aktive Materie und Licht
Authors: Simmchen Juliane
Published: April 2022

Die Aufklärung von Reaktionsmechanismen ist in der Katalyse wichtig, um die geschwindigkeitsbegrenzende Schritte zu verstehen und zu beschleunigen. Mit maschinellem Lernen lassen dann sich auf Basis der Mechanismen neue Katalysatoren entwickeln. Photochemische Umsetzungen in weichen Membranen folgen einer anderen Kinetik als Reaktionen in Lösung. Mikroschwimmer, Mikromotoren oder Phototaxis zählen zu aktiver Materie. Sie wandeln kontinuierlich Energie aus ihrer Umgebung um und bewegen sich autonom.
„… edlern Nutzen hat als alle andere Metall, Stein oder dergleichen“ ‐‐ die Geschichte des Laborglases
Authors: Gros Leo , Friedrich Rainer
Published: April 2022

Im 17. Jahrhundert gelang es dem Alchemisten und Glasmacher Johannes Kunckel, Glas systematisch zu verbessern. Allerdings war es von da an noch ein weiter Weg, bis Wissenschaftler und Handwerker das Material mit definierten optischen Eigenschaften herstellen konnten und es sich auch für Laborgeräte eignete. Dabei beginnt die Geschichte des Glases schon in der Steinzeit.
Merck: Forschung, Pharma und Halbleiter
Authors: Bulmahn Maren
Published: April 2022

Im Lauf des Jahres 2021 hat der Darmstädter Konzern Merck seine Geschäftsprognose drei Mal angehoben. Der Umsatz ist insgesamt auf 19,7 Milliarden Euro gestiegen.
Blasen, biegen, verbinden
Authors: Leusmann Eliza
Published: April 2022

Kein Labor ohne Glasgeräte und keine Universität ohne Glasbläser. In den meisten Köpfen ist das ein reiner Männerberuf. Diesen üben inzwischen aber auch immer mehr Frauen aus – an der Universität Gießen etwa Anja Beneckenstein.
"Eine wunderbare Spielwiese" – als Chemiker bei einem Spezialglashersteller
Authors: Zbikowski Frauke
Published: April 2022

Chemiker:innen nutzen Glas nicht nur im Labor als Rundkolben oder Messzylinder. Sie entwickeln auch den Werkstoff Glas. So wie Sebastian Leukel, der bei Schott in Mainz arbeitet.