bluuebunny/crossref_metadata_2025 huggingface dataset:
Risk factors for severe infection and mortality In patients with COVID‐19 in patients with multiple myeloma and AL amyloidosis
Authors: Ho Matthew , Zanwar Saurabh , Buadi Francis K. , Ailawadhi Sikander , Larsen Jeremy , Bergsagel Leif , Binder Moritz , Chanan‐Khan Asher , Dingli David , Dispenzieri Angela , Fonseca Rafael , Gertz Morie A. , Gonsalves Wilson , Go Ronald S. , Hayman Suzanne , Kapoor Prashant , Kourelis Taxiarchis , Lacy Martha Q. , Leung Nelson , Lin Yi , Muchtar Eli , Roy Vivek , Sher Taimur , Warsame Rahma , Fonder Amie , Hobbs Miriam , Hwa Yi L. , Kyle Robert A. , Rajkumar S. Vincent , Kumar Shaji
Published: October 2022

Patients with multiple myeloma (MM) have a lower efficacy from COVID‐19 vaccination and a high rate of mortality from COVID‐19 in hospitalized patients. However, the overall rate and severity of COVID‐19 infection in all settings (including non‐hospitalized patients) and the independent impact of plasma cell‐directed therapies on outcomes needs further study. We reviewed the medical records of 9225 patients with MM or AL amyloidosis (AL) seen at Mayo Clinic Rochester, Arizona, and Florida between 12/01/2019 and 8/31/2021 and identified 187 patients with a COVID‐19 infection (n = 174 MM, n = 13 AL). The infection rate in our cohort was relatively low at 2% but one‐fourth of the COVID‐19 infections were severe. Nineteen (10%) patients required intensive care unit (ICU) admission and 5 (3%) patients required mechanical ventilation. The mortality rate among hospitalized patients with COVID‐19 was 22% (16/72 patients). Among patients that were fully vaccinated at the time of infection (n = 12), two (17%) developed severe COVID‐19 infection, without any COVID‐related death. On multivariable analysis, treatment with CD38 antibody within 6 months of COVID‐19 infection [Risk ratio (RR) 3.6 (95% CI: 1.2, 10.5), p = .02], cardiac [RR 4.1 (95% CI: 1.3, 12.4), p = .014] or pulmonary comorbidities [RR 3.6 (95% CI 1.1, 11.6); p = .029] were independent predictors for ICU admission. Cardiac comorbidity [RR 2.6 (95% CI: 1.1, 6.5), p = .038] was an independent predictor of mortality whereas MM/AL in remission was associated with lower mortality [RR 0.4 (95% CI: 0.2–0.8); p = .008].
Copper‐Catalyzed Cyanation of Aryl Iodides with Formamide as the Cyano Source
Authors: Peng Sha , Yang Luo
Published: October 2022

A practical and convenient protocol for copper‐catalyzed cyanation of aryl iodides with formamide as the cyano source was developed, providing various aryl nitriles in good to excellent yields under ligand and base free conditions. Compared to the reported cyanation reactions of aryl halides with formamide at high temperature (130–145 °C), lower reaction temperature (100 °C) and excellent substrate compatibility make this method more attractive in synthetic and pharmaceutical chemistry.
PdII and NiII Complexes of Earring Porphyrins with Distorted Coordination Geometries
Authors: Yin Bangshao , Deng Fangling , Zhou Wenjing , Rao Yutao , Xu Ling , Zhou Mingbo , Osuka Atsuhiro , Song Jianxin
Published: October 2022

Earring porphyrins bearing a 1,3‐di(pyrid‐2‐yl)phenylene ear or a 2,5‐di(pyrid‐2‐yl)pyrrole ear were synthesized by Suzuki‐Miyaura cross coupling reactions. Upon treatment with Pd(OAc)2 and Ni(OAc)2 ⋅ 4H2O, these earring porphyrins gave the corresponding PdII and NiII complexes with distorted coordination geometries, indicating their abilities to serve as a divalent ligand. Owing to non‐conjugated properties, these complexes show larger HOMO‐LUMO gaps as compared with the parent earring porphyrin bearing a tripyrrin ear.
Impact of focused cardiac and lung ultrasound screening performed by a junior doctor during admission to the surgical ward on patients before emergency non‐cardiac surgery: A pilot prospective observational study
Authors: Wong Cliff , Vijayakumar Rukman , Canty David J , Royse Colin F , Yang Yang , Royse Alistair G , Heiberg Johan
Published: October 2022

Purpose

To assess whether pre‐operative focused cardiac ultrasound and lung ultrasound screening performed by a junior doctor can change diagnosis and clinical management of patients aged ≥65 years undergoing emergency, non‐cardiac surgery.

Method

This pilot prospective observational study included patients scheduled for emergency, non‐cardiac surgery. The treating team completed a diagnosis and management plan before and after focused cardiac and lung ultrasound, which was performed by a junior doctor. Changes to diagnosis and management after ultrasound were recorded. Ultrasound images were assessed for image and diagnostic interpretation by an independent expert.

Results

There was a total of 57 patients at age 77 ± 8 years. Cardiopulmonary pathology was suspected after clinical assessment in 28% vs. 72% after ultrasound (including abnormal haemodynamic state in 61%, valvular lesions in 32%, acute pulmonary oedema/interstitial syndrome in 9% and bilateral pleural effusions in 2%). In 67% of patients, the perioperative management was changed. The changes were in fluid therapy in 30%, cardiology consultation in 7%, formal in‐ or out‐patient, transthoracic echocardiography in 11% and 30% respectively.

Discussion

The impact of pre‐operative focused cardiac and lung ultrasound on diagnosis and management of patients on the hospital ward before emergency non‐cardiac surgery by a junior doctor was comparable to previous studies of anaesthetists experienced in focused ultrasound. However, the ability to recognise when image quality is insufficient for diagnosis is an important consideration for novice sonographers.

Conclusions

Focused cardiac and lung ultrasound examination by a junior doctor is feasible and may change preoperative diagnosis and management in patients of 65 years or older, admitted for emergency non‐cardiac surgery.
Rational Design of Carbon Nitride Photoelectrodes with High Activity Toward Organic Oxidations
Authors: Pulignani Carolina , Mesa Camilo A. , Hillman Sam A. J. , Uekert Taylor , Giménez Sixto , Durrant James R. , Reisner Erwin
Published: October 2022

Carbon nitride (CNx) is a light‐absorber with excellent performance in photocatalytic suspension systems, but the activity of CNx photoelectrodes has remained low. Here, cyanamide‐functionalized CNx (NCNCNx) was co‐deposited with ITO nanoparticles on a 1.8 Å thick alumina‐coated FTO electrode. Transient absorption spectroscopy and impedance measurements support that ITO acts as a conductive binder and improves electron extraction from the NCNCNx, whilst the alumina underlayer reduces recombination losses between the ITO and the FTO glass. The Al2O3|ITO : NCNCNx film displays a benchmark performance for CNx‐based photoanodes with an onset of −0.4 V vs a reversible hydrogen electrode (RHE), and 1.4±0.2 mA cm−2 at 1.23 V vs RHE during AM1.5G irradiation for the selective oxidation of 4‐methylbenzyl alcohol. This assembly strategy will improve the exploration of CNx in fundamental and applied photoelectrochemical (PEC) studies.
Π–Π Stacking Complex Induces Three‐Component Coupling Reactions To Synthesize Functionalized Amines
Authors: Zhang Tong , Vanderghinste Jaro , Guidetti Andrea , Doorslaer Sabine Van , Barcaro Giovanni , Monti Susanna , Das Shoubhik
Published: October 2022

π‐π stacking and ion‐pairing interactions induced the generation of α‐amino radicals under the irradiation of visible light without the requirement of an expensive photocatalyst. This strategy enabled the construction of functionalized amines via three‐component coupling reactions with broad scope (we report >50 examples with an up to 90 % yield). This synthetic pathway also delivered complex functionalized amines with a very high yield. Quantum chemistry Density Functional Theory (DFT) calculations identified π‐π stacked ionic complexes; time‐dependent DFT was employed to simulate the absorption spectra, and nudged elastic band (NEB) methodology provided a possible interaction/reaction picture of the selected species.
Enhanced bactericidal and in vivo wound healing potential of biosynthesized zinc oxide nanoparticles from psyllium mucilage
Authors: Azam Aiza , Muhammad Gulzar , Aslam Muhammad Shahbaz , Iqbal Muhammad Mudassir , Raza Muhammad Arshad , Akhtar Naeem , Hussain Muhammad Ajaz , Sajjad Noreen , Syed Asad , Bahkali Ali H. , Shafiq Zahid
Published: October 2022

The multifunctional zinc oxide nanoparticles are synthesized using a cost‐effective, efficient, eco‐friendly, simple, and clean synthesis approach. Herein, we reported the antibacterial and wound healing potential of zinc oxide nanoparticles (ZnO‐NPs) prepared using psyllium gel (PG) as the reducing and stabilizing agent. The PG‐mediated zinc oxide nanoparticles (PG‐ZnO‐NPs) were characterized using UV–Vis, photoluminescence (PL), FTIR, XRD, Raman, and SEM. UV–Vis spectral studies confirmed the surface plasmonic resonance (SPR) band at 364 nm. PL results demonstrated the fluorescent or emission nature of PG‐ZnO‐NPs. FTIR analysis confirmed characteristic peaks at 873.82 and 619.88 cm−1 due to the tetrahedral coordination of zinc and the formation of the Zn‐O bond. XRD and Raman confirm the formation of PG‐ZnO‐NPs, whereas SEM analysis revealed PG‐ZnO‐NPs are rod‐shaped, having hexagonal prism‐like bases, and EDX exhibited the elemental composition of PG‐ZnO‐NPs. The as‐synthesized PG‐ZnO‐NPs possessed prominent microbicidal potential against gram‐positive (Bacillus subtilis and Bacillus licheniformis) and gram‐negative (Escherichia coli and Salmonella shigella) bacterial strains in terms of zone of inhibition (ZOI), minimum inhibitory concentration (MIC), and minimum bactericidal concentration (MBC). In vivo biological investigations with mice show that the synthesized PG‐ZnO‐NPs possess outstanding biocompatibility and wound healing potential. PG‐ZnO‐NPs dressing significantly speeds up full‐thickness wound repair by triggering a decrease in MMP‐1 and MMP‐2 and escalating the mRNA levels of collagen types (I & III) and fibronectin. Thus, our work validates that the inclusion of PG‐ZnO‐NPs in dressing shows excellent potential for acute wound management.
Regime recovery using implied volatility in Markov modulated market model
Authors: Goswami Anindya , Mukherjee Kedar Nath , Patalwala Irvine Homi , Sanjay Nadahalli Satish
Published: October 2022

In the regime switching extension of Black–Scholes–Merton model of asset price dynamics, one assumes that the volatility coefficient evolves as a hidden pure jump process. Under the assumption of Markov regime switching, we have considered the locally risk minimizing theoretical price of European vanilla options. By pretending these prices or their numerical approximations as traded prices, we have first computed the implied volatility (IV) of the underlying asset. Then by performing several numerical experiments on ternary regime models we have investigated the dependence of IV on the time to maturity (TTM) and strike price of the vanilla options. We have observed a clear dependence that is at par with the empirically observed stylized facts. Furthermore, we have experimentally validated that IV time series, obtained from contracts with moneyness and TTM varying in a particular narrow range, can recover the transition instances of the hidden Markov chain having three states. Such regime recovery for any arbitrary state‐space and transition parameters has also been established in a theoretical setting. Moreover, the novel scheme for computing option price is shown to be stable.
Contributions of structural variations to the asymptotic mixed‐mode coupling Factor in red giant stars
Authors: Jiang Chen
Published: October 2022

The advent of ultra‐precise photometry space missions enables the possibility of investigating stellar interiors with mixed modes. The structural variations induced by the discontinuity of the chemical composition left behind during the first dredge–up is an important feature in the stellar mid‐layers located between the hydrogen‐burning shell and the base of the convective zone of red giants, as the mixed‐mode properties can be significantly affected by these variations. In this paper, the contributing factors to variations of the mixed‐mode coupling factor, q, are discussed with stellar models. In general, the structural variations give rise to a subtle displacement in the Lamb frequency and a sharp change in the buoyancy frequency, which lead to variations in the value of q computed using the asymptotic formalisms that assume a smooth background free of structural variations. The impact of these two factors can be felt in detectable mixed modes in low‐luminosity red giants. Furthermore, the different nature of variations of the two characteristic frequencies with a radius near the base of the convective zone produces a sudden increase in q in evolved red giants. This is followed by a quick drop in q as the star evolves further along the red giant branch.
Boron‐Based Functional Additives Enable Solid Electrolyte Interphase Engineering in Calcium Metal Battery
Authors: Bodin Charlotte , Forero Saboya Juan , Jankowski Piotr , Radan Kristian , Foix Dominique , Courrèges Cécile , Yousef Ibraheem , Dedryvère Rémi , Davoisne Carine , Lozinšek Matic , Ponrouch Alexandre
Published: October 2022

Calcium‐metal batteries have received growing attention recently after several studies reporting successful metal plating and stripping with organic electrolytes. Given the low redox potential of metallic calcium, its surface is commonly covered by a passivation layer grown by the accumulation of electrolyte decomposition products. The presence of borate species in this layer has been shown to be a key parameter allowing for Ca2+ migration and favoring Ca electrodeposition. Here, boron‐based additives are evaluated in order to tune the SEI composition, morphology, and properties. The decomposition of a BF3‐based additive is studied at different potentiostatic steps and the resulting SEI layer was thoroughly characterized. SEI growth mechanism is proposed based on both experimental data and DFT calculations pointing at the formation of boron‐crosslinked polymeric matrices. Several boron‐based adducts are explored as SEI‐forming additives for calcium‐metal batteries paving the way to very rich chemistry leading to Ca2+ conducting SEI.
Korrosionsmonitoring in ungerissenem Stahlbeton in der Schädigungsphase – neue Forschungserkenntnisse
Authors: Fraundorfer Andreas , Dauberschmidt Christoph
Published: October 2022

Die durch Tausalz und Carbonatisierung hervorgerufene Korrosion von Betonstahl verursacht in Mitteleuropa jedes Jahr einen erheblichen Instandsetzungsaufwand. Der Einsatz von Korrosionsmonitoring an Stahlbetonbauwerken ermöglicht die Beurteilung, ob eine Schädigung bereits stattgefunden hat und wie schnell diese fortschreitet. So kann das Eindringen der Depassivierungsfront in ein chloridbelastetes Bauwerk festgestellt oder bei bereits stattfindender Korrosion die Größenordnung des Schädigungsfortschritts abgeschätzt werden. Somit kann durch den Einbau entsprechender Sensoren in bestehende Bauwerke der Instandsetzungserfolg nach Abschluss von Instandsetzungsarbeiten nach Verfahren 8.3 gemäß der Technischen Regel Instandhaltung von Betonbauwerken des DIBt nachgewiesen werden. Bislang gibt es jedoch kein Regelwerk für das Korrosionsmonitoring. Im Jahr 2018 wurde erstmals ein Merkblatt B12 der DGZfP veröffentlicht, das als Leitfaden dienen kann. Darüber hinaus wurde in den letzten drei Jahren in Deutschland ein breit angelegtes WIPANO‐Forschungsprojekt mit dem Namen „KoMICS“ mit dem Ziel durchgeführt, offene Fragen beim Korrosionsmonitoring zu beantworten. Die dabei gewonnenen Erkenntnisse werden in eine DAfStb‐Richtlinie einfließen, die sich derzeit in Bearbeitung befindet. Nachfolgend werden die relevanten Erkenntnisse der von der Hochschule für angewandte Wissenschaften München untersuchten Fragestellung zum Korrosionsmonitoring an ungerissenen Stahlbetonbauteilen in der Schädigungsphase vorgestellt.
Genome editing technologies, mechanisms and improved production of therapeutic phytochemicals: Opportunities and prospects
Authors: Mitra Sicon , Anand Uttpal , Ghorai Mimosa , Kant Nishi , Kumar Manoj , Radha  , Jha Niraj K. , Swamy Mallappa K. , Proćków Jarosław , de la Lastra José M. Pérez , Dey Abhijit
Published: October 2022

Plants produce a large number of secondary metabolites, known as phytometabolites that may be employed as medicines, dyes, poisons, and insecticides in the field of medicine, agriculture, and industrial use, respectively. The rise of genome management approaches has promised a factual revolution in genetic engineering. Targeted genome editing in living entities permits the understanding of the biological systems very clearly, and also sanctions to address a wide‐ranging objective in the direction of improving features of plant and their yields. The last few years have introduced a number of unique genome editing systems, including transcription activator‐like effector nucleases, zinc finger nucleases, and miRNA‐regulated clustered regularly interspaced short palindromic repeats/Cas9 (CRISPR/Cas9). Genome editing systems have helped in the transformation of metabolic engineering, allowing researchers to modify biosynthetic pathways of different secondary metabolites. Given the growing relevance of editing genomes in plant research, the exciting novel methods are briefly reviewed in this chapter. Also, this chapter highlights recent discoveries on the CRISPR‐based modification of natural products in different medicinal plants.
A reinforcement learning‐based hybrid modeling framework for bioprocess kinetics identification
Authors: Mowbray Max R. , Wu Chufan , Rogers Alexander W. , Rio‐Chanona Ehecatl A. Del , Zhang Dongda
Published: October 2022

Constructing predictive models to simulate complex bioprocess dynamics, particularly time‐varying (i.e., parameters varying over time) and history‐dependent (i.e., current kinetics dependent on historical culture conditions) behavior, has been a longstanding research challenge. Current advances in hybrid modeling offer a solution to this by integrating kinetic models with data‐driven techniques. This article proposes a novel two‐step framework: first (i) speculate and combine several possible kinetic model structures sourced from process and phenomenological knowledge, then (ii) identify the most likely kinetic model structure and its parameter values using model‐free Reinforcement Learning (RL). Specifically, Step 1 collates feasible history‐dependent model structures, then Step 2 uses RL to simultaneously identify the correct model structure and the time‐varying parameter trajectories. To demonstrate the performance of this framework, a range of in‐silico case studies were carried out. The results show that the proposed framework can efficiently construct high‐fidelity models to quantify both time‐varying and history‐dependent kinetic behaviors while minimizing the risks of over‐parametrization and over‐fitting. Finally, the primary advantages of the proposed framework and its limitation were thoroughly discussed in comparison to other existing hybrid modeling and model structure identification techniques, highlighting the potential of this framework for general bioprocess modeling.
Lifetime alcohol‐use prevalence and correlated factors among street children in Iran
Authors: Roshanfekr Payam , Ali Delaram , Noroozi Mehdi , Bahrami Giti , Vameghi Meroe
Published: October 2022

Background

Several studies on street children in Iran reported a high prevalence of alcohol consumption among this group. This study assessed the prevalence of lifetime alcohol use and correlated factors among street children in Iran.

Methods

We conducted a cross‐sectional survey among 856 street children from six provinces of Iran. Behavioral data were collected by trained interviewers using a structured questionnaire. Our target outcome was lifetime alcohol use. We examined associations between individual variables and lifetime alcohol use using the chi‐square. A multiple logistic regression model included variables with a p‐value < .2. Lastly, we reported the adjusted odds ratio (an OR) point estimate and 95% confidence interval (95% CI) as the effect measure.

Results

Mean age and standard deviation (SD) of alcohol drinkers were 14.94 ± 2.16. Overall, 16.6% (CI95%: 14.38%, 19.55%) of participants reported lifetime alcohol use, and almost 60% of children reported alcohol use over three past months. In the final model, factors that were independently associated with alcohol use included the 15–18 age range (AOR 2.35, 95% CI 1.48−3.73), Iranian nationality (AOR 3.36, 95% CI 2.07−5.45), working longer than 5 years in the streets (AOR 2.90, 95% CI 1.72−4.88), father's drug use (AOR 1.93, 95% CI 1.22−3.01), and illiteracy (AOR 1.65, 95% CI 1.03−2.66).

Conclusions

The results of the present study demonstrated that preventive plans for alcohol use among street children must be addressed using the services provided by governmental and nongovernmental organizations.
Investigation on the regulatory T cells signature and relevant Foxp3/STAT3 axis in esophageal cancer
Authors: Yang Lin , Zhao Qijie , Wang Xing , Pilapong Chalermchai , Li Yi , Zou Jun , Jin Jing , Rong Jinfeng
Published: October 2022

Background

Regulatory T cells (Tregs) have an important role in accelerating the immunosuppression of tumor. Tregs regulation is a hopeful strategy to improve the dismal prognosis of Esophageal cancer (EC), while its mechanisms have not yet been fully clarified.

Methods

To characterize the role of Tregs in EC, we comprehensively explored its prognostic value, clinical pathology partnership, related biological functions and potential mechanisms at transcriptome level. Through the integrated analysis of GEO and TCGA datasets, we comprehensively evaluated the Tregs infiltration patterns in EC patients. The correlation between Tregs infiltration and genomic characteristics, as well as biological functions were analyzed by a variety of computational algorithms.

Results

We observed that Tregs were significantly upregulated in EC and involved in various immune processes. According to TCGA and GEO transcriptional classification schemes, Tregs specific genes were observed to be highly expressed in tumor samples, as well as were closely associated with poor prognosis and worse clinical outcomes. In addition, EC patients can be stratified into high‐risk and low‐risk immune subgroups according to Tregs/macrophages infiltration level, and the results showed significant differences in tumor development, biological processes and probe gene expression pattern. The multi‐variate analysis revealed that the interaction between STAT3 and Foxp3 was a potential prognostic signature of Tregs in EC, especially the modulation effect of STAT3 on Foxp3 expression, which has not been well studied in EC. We also identified that STAT3 and Foxp3 expression presented a high accuracy in predicting Tregs infiltration level in EC patients (AUC: 0.817; 95% CI: 0.756–0.878).

Conclusions

Our results revealed that Tregs have the potential to predict prognosis and tumor deterioration in EC patients. A comprehensive landscape of Tregs regulation mechanisms will help us interpret the immunosuppression of tumor microenvironment (TME) and novel strategies for EC immunotherapy.
Understanding what matters to metastatic castration‐resistant prostate cancer (mCRPC) patients when considering treatment options: A US patient preference survey
Authors: George Daniel J. , Mohamed Ateesha F. , Tsai Jui‐Hua , Karimi Milad , Ning Ning , Jayade Sayeli , Botteman Marc
Published: October 2022

Background

Understanding how patients perceive the efficacy, safety, and administrative burden of treatments for metastatic castration‐resistant prostate cancer (mCRPC) can facilitate shared‐decision making for optimal management. This study sought to elicit patient preferences for mCRPC treatments in the US.

Methods

We conducted a cross‐sectional survey using the discrete‐choice experiment method. Participants were asked to state their choices over successive sets of treatment alternatives, defined by varying levels of treatment attributes: overall survival (OS), months until patients develop a fracture or bone metastasis, likelihood of requiring radiation to control bone pain, fatigue, nausea, and administration (i.e., oral/IV injection/IV infusion). Using mixed logit models, we determined the value (i.e., preference weights) that respondents placed on each attribute. Relative attribute importance (RAI) and marginal rates of substitution (MRS) were calculated to understand patients' willingness to make tradeoffs among different attributes.

Results

The final data set numbered 160 participants, with a mean age of 71.6 years old and a mean of 8.96 years since prostate cancer diagnosis. Participants' treatment preferences were as follows: OS (RAI: 31%), bone pain control (23%), nausea (16%), delaying fracture or bone metastasis (15%), fatigue (11%), and administration (3%). The MRS demonstrated that respondents were willing to trade 1.9 months of OS to eliminate moderate nausea and 3.3 months of OS for a reduction in fatigue from severe to mild.

Conclusions

Improving OS is the highest priority for patients with mCRPC, but they are willing to trade some survival to reduce the risk of requiring radiation to control bone pain, delay a fracture or bone metastasis, and experience less severe nausea and fatigue.
Synthetic and Medicinal Perspective of 1,2,4‐Triazole as Anticancer Agents
Authors: Rathod Bhagyashri , Kumar Kapil
Published: October 2022

Cancer is still one of the leading causes of death worldwide. Many researchers are working to design and develop heterocyclic‐based drugs with the potential to treat cancer at various stages. There is always an unmet need to discover new anticancer drugs to treat different types of cancer. Based on literature reports, it was evident that hybrid 1,2,4‐triazoles exhibit a wide spectrum of biological potential (particularly potent anticancer activity), as compared to the corresponding monocyclic compounds. In this review, we summarized fused/hybrid 1,2,4‐triazole and poly‐functionalized 1,2,4‐triazoles as anticancer agents. Triazole may be fused with other heterocyclic scaffolds like pyrimidine, pyridine, piperidine, quinoxaline, quinazoline, thiadiazine, indole, phthalazine etc. A clear explanation of the method of synthesis, structure‐activity relationship, and in vitro results plus the inhibitory concentration of new molecules are focused on in this review article.
Advance in the Polymerization Strategy for the Synthesis of β‐Peptides and β‐Peptoids
Authors: Xiao Ximian , Zhou Min , Cong Zihao , Zou Jingcheng , Liu Runhui
Published: October 2022

Peptide mimics, possessing excellent biocompatibility and protease stability, have attracted broad attention and research in the biomedical field. β‐Peptides and β‐peptoids, as two types of vital peptide mimics, have demonstrated great potential in the field of foldamers, antimicrobials and protein binding, etc. Currently, the main synthetic strategies for β‐peptides and β‐peptoids include solid‐phase synthesis and polymerization. Among them, polymerization in one‐pot can minimize the repeated separation and purification used in solid‐phase synthesis, and has the advantages of high efficiency and low cost, and can synthesize β‐peptides and β‐peptoids with high molecular weight. This review summarizes the polymerization methods for β‐peptides and β‐peptoids. Moreover, future developments of the polymerization method for the synthesis of β‐peptides and β‐peptoids will be discussed.
Double trouble: A case of fraternal twins with iron‐refractory iron‐deficiency anemia
Authors: Malherbe Jacques A. J. , Cole Catherine H.
Published: October 2022

Iron‐refractory iron‐deficiency anemia (IRIDA) is a rare autosomal recessive disease that presents in childhood. We report the case of fraternal twins presenting with severe hypochromic microcytic anemia and hypoferritinemia. Two missense mutations affecting the TRMPSS6 gene were identified, consistent with IRIDA. Subsequent parenteral iron therapy improved clinical and blood parameters.
Effect of Preparation Method on the Performance of Cu−Mn−(La)−Zr Catalysts for CO2 Hydrogenation to Methanol
Authors: Wang Shiqiang , Yang Jinhai , Wang Shiwei , Xiao Fukui , Zhao Ning
Published: October 2022

A series of Cu−Mn−(La)−Zr catalysts with molecular ratios of 6 : 3 : (0.35) : 1 was synthesized by sol‐gel (CMLZ−S), co‐precipitation (CML−CP, CMLZ−CP) and hydrothermal (CMLZ−H) methods, respectively. The effects of the Mn and La on the activity of catalysts were investigated. It was found that the addition of La promoted the formation of the medium basic sites. Mn acted as an electronic promotor that transfer electrons through redox reactions, causing other metals to exhibit different valence states, thus promoting the adsorption and activation of H2 and CO2. At a certain temperature, methanol selectivity decreased in the order of CMLZ−H>CMLZ−S>CMLZ−CP>CMZ−CP. The selectivity of methanol is correlated with the distribution of basic sites. For the CMLZ−H catalyst, the highest percentage of moderate basic sites facilitated the activation of CO2, resulting in the highest selectivity of methanol. The CO2 conversion was correlated with the Cu specific surface area.
Regenerative low‐cost ionic liquids: Synthesis, characterization, and application in desulphurization of flue gases
Authors: Kumar Avanish , Dhakad Vinod Kumar , Jana Susanta Kumar
Published: October 2022

Three ionic liquids (ILs) containing the same cation but different anions were synthesized and used to separate SO2 from its mixture with air in a semi‐batch bubble column absorber. Desulphurization efficiency was determined using a state‐of‐the‐art experimental set‐up relevant to chemical process industries concerning the important process variables. The virgin and exhausted ILs were characterized using TGA, FTIR, and 1H NMR analyses. The concentrations of SO2 at the inlet to and exit from the absorber were measured using a ZRJFAY36, Fuji, Japan infrared SO2 analyzer. A maximum of 92 percent removal efficiency (PRE) was achieved from a feed gas containing 250–1500 ppm SO2 with the use of 2‐hydroxyethyl ammonium lactate [MEA][L] or tri (2‐hydroxyethyl) ammonium lactate ([TEA][L]), as the absorbents. This could be further enhanced by the interactive effect of the simultaneous increase in the superficial velocity of the gas and the volume of IL fed into the absorber. However, PRE was about 20% less with tri (2‐hydroxyethyl) ammonium salicylate ([TEA][S]). It was observed that the ILs, [MEA][L] and [TEA][L], were fairly suitable for flue gas desulphurization in industrial situations. A design criterion for continuous operation using two semi‐batch absorbers has been proposed.
The prognostic marker elastin correlates with epithelial–mesenchymal transition and vimentin‐positive fibroblasts in gastric cancer
Authors: Fang Tianyi , Zhang Lei , Yin Xin , Wang Yufei , Zhang Xinghai , Bian Xiulan , Jiang Xinju , Yang Shuo , Xue Yingwei
Published: October 2022

Elastin (ELN) fibers are essential constituents of the tumor microenvironment of gastric cancer (GC). However, few studies have investigated the clinical prognostic significance of ELN in GC. We screened for molecular markers that were highly related to distant metastasis by transcriptome sequencing. The Cancer Genome Atlas (TCGA) and Harbin Medical University (HMU) validation cohorts were used to validate ELN expression and to explore molecular mechanisms. Immunohistochemistry for ELN, vimentin (VIM), and fibroblast activation protein, and elastic fiber‐specific staining were used to evaluate the relationship between ELN and prognosis. R studio was used to construct a nomogram prognostic model. In this study, we found that ELN mRNA levels were significantly higher in cancer tissues and were associated with poor prognosis in TCGA and HMU patients. Gene set enrichment analysis showed that ELN was mainly enriched in the epithelial–mesenchymal transition (EMT) pathway. The mRNA expression of ELN was positively correlated with fibroblast molecular markers, especially VIM. For validation, we collected a tissue microarray containing 180 pairs of samples. We found that ELN was positively correlated with VIM expression in cancer tissue but not in paracancerous tissues by immunohistochemistry staining. Univariate and multivariate analyses showed that the expression of ELN and lymph node metastasis rate were independent predictors for overall survival. Moreover, a nomogram model was used to evaluate the risk of death by combining the expression of ELN and lymph node metastasis rate. ELN may play an important role in the progression of GC by regulating EMT and is a useful prognostic indicator in predicting the prognosis of GC.
Enhanced deep learning frame model for an accurate segmentation of cancer affected part in breast
Authors: Dewangan Kranti Kumar , Prakash Sahu Satya , Janghel Rekhram
Published: October 2022

Breast cancer is one of the primary causes of death in females worldwide. So, recognizing and categorizing breast cancer in the initial stage is necessary for helping the patients to have suitable action. In this research, a novel spider monkey‐based convolution model (SMCM) is developed for detecting breast cancer cells in an early stage. Here, breast magnetic resonance imaging (MRI) is utilized as the dataset trained to the system. Moreover, the developed SMCM function is processed on the breast MRI dataset to primarily detect and segment the affected part of breast cancer. Additionally, segmented images are utilized for tracking in the dataset to identify the possibility of breast cancer. Moreover, the simulation of this approach is done by Python tool, and the parameters of the current research work are evaluated with prevailing works. Hence, the outcomes show that the current research model has improved accuracy by 1.5% compared to existing models.
“Cap‐Pair” Effect as the Reason of the Catalytic Properties of Nicotinic Acid: Experimental and Theoretical Studies
Authors: Nieszporek Jolanta
Published: October 2022

The influence of nicotinic acid (NC) on the kinetics and the mechanism of electroreduction of Zn2+ ions in the acetate buffer (pH=6.0) was investigated using electrochemical methods (EIS, CV, SWV and DC). It was shown that the anions of NC catalyze the electrode reaction (cap‐pair effect) by adsorbing on the surface of the mercury electrode. The catalytic activity of NC is due to its ability to form active NC−Zn2+ complexes on the electrode surface, facilitating the electron transfer process. However, no evidence of the formation of such complexes in the solution was found using classical molecular dynamics. Moreover, it was proved that the electroreduction of Zn2+ ions in the presence of NC is a two‐stage process. The first stage involves the transfer of the first electron, preceded by the partial loss of the hydration shell by the Zn2+ ions and formation of the active complex. Moreover, it was shown that in the range of lower concentrations, c≤1.10−2 mol.dm−3, the nicotinic acid shows weaker catalytic abilities than another form of vitamin B3 – nicotinamide. In the range of its higher concentrations, the nicotinic acid is a more effective catalyst for the electroreduction of Zn2+ ions.
Transmembrane Transport of Bicarbonate by Anion Receptors
Authors: Martínez‐Crespo Luis , Valkenier Hennie
Published: October 2022

The development of synthetic anion transporters is motivated by their potential application as treatment for diseases that originate from deficient anion transport by natural proteins. Transport of bicarbonate is important for crucial biological functions such as respiration and digestion. Despite this biological relevance, bicarbonate transport has not been as widely studied as chloride transport. Herein we present an overview of the synthetic receptors that have been studied as bicarbonate transporters, together with the different assays used to perform transport studies in large unilamellar vesicles. We highlight the most active transporters and comment on the nature of the functional groups present in active and inactive compounds. We also address recent mechanistic studies that have revealed different processes that can lead to net transport of bicarbonate, as well as studies reported in cells and tissues, and comment on the key challenges for the further development of bicarbonate transporters.
Environmental Outcomes from On‐Farm Agricultural Production in the United States
Authors: Young Kelly Murray , Thomson Allison , Coronel Eric
Published: October 2022

This article is brought to you by the SPARC Initiative created in partnership among the American Society for Agronomy, the Agricultural Retailers Association, Environmental Defense Fund, and Field to Market: The Alliance for Sustainable Agriculture to empower trusted advisers to deliver services that drive continuous improvement in the productivity, profitability, and environmental outcomes of farmers’ operations. Learn more about the SPARC Initiative and access additional resources, including the six‐module series on sustainability, at www.fieldtomarket.org/SPARC. This article is an excerpt from Field to Market’s Fourth National Indicator Report, released in December 2021. Access the entire report at http://www.fieldtomarket.org/report. All articles from the SPARC series can be found online at https://bit.ly/3yVScpI. Earn 1 CEU in Sustainability by reading this article and taking the quiz at https://web.sciencesocieties.org/Learning‐Center/Courses.
Relationship between genome‐wide and MHC class I and II genetic diversity and complementarity in a nonhuman primate
Authors: Petersen Rachel M. , Bergey Christina M. , Roos Christian , Higham James P.
Published: October 2022

Although mate choice is expected to favor partners with advantageous genetic properties, the relative importance of genome‐wide characteristics, such as overall heterozygosity or kinship, versus specific loci, is unknown. To disentangle genome‐wide and locus‐specific targets of mate choice, we must first understand congruence in global and local variation within the same individual. This study compares genetic diversity, both absolute and relative to other individuals (i.e., complementarity), assessed across the genome to that found at the major histocompatibility complex (MHC), a hyper‐variable gene family integral to immune system function and implicated in mate choice across species. Using DNA from 22 captive olive baboons (Papio anubis), we conducted double digest restriction site‐associated DNA sequencing to estimate genome‐wide heterozygosity and kinship, and sequenced two class I and two class II MHC loci. We found that genome‐wide diversity was not associated with MHC diversity, and that diversity at class I MHC loci was not correlated with diversity at class II loci. Additionally, kinship was a significant predictor of the number of MHC alleles shared between dyads at class II loci. Our results provide further evidence of the strong selective pressures maintaining genetic diversity at the MHC in comparison to other randomly selected sites throughout the genome. Furthermore, our results indicate that class II MHC disassortative mate choice may mediate inbreeding avoidance in this population. Our study suggests that mate choice favoring genome‐wide genetic diversity is not always synonymous with mate choice favoring MHC diversity, and highlights the importance of controlling for kinship when investigating MHC‐associated mate choice.
In Situ Coupling of Highly Dispersed Ni/Fe Metal‐NC Sites and N‐Doped 3D Carbon Fibers Toward Free‐Standing Bifunctional Cathode for Flexible Zinc‐Air Battery
Authors: Lai Chenglong , Li Mengjun , Shen Yi , Zhou Min , Wang Wei , Jiang Kai , Li Haomiao , Wang Kangli
Published: October 2022

Designing flexible free‐standing air‐electrode with efficient OER/ORR performance is of vital importance for the application of Zinc‐air batteries in flexible electronics. Herein, a flexible free‐standing electrode (Ni/Fe‐NC/NCF/CC) is synthesized by in‐situ coupling of binary Ni/Fe‐NC nanocubes and N‐doped carbon nanofibers (NCF) rooted on carbon cloth. The highly dispersed binary Ni/Fe‐NC sites ensure excellent ORR activity and create efficient OER active sites relative to Ni‐NC and Fe‐NC. The in‐situ coupling of Ni/Fe‐NC and NCF constructs a 3D interconnected network structure that not only provides abundant and stabilized reactive sites but also guarantees fast electron transfer and gas transportation, thus achieving efficient and fast operation of ORR/OER. Therefore, Ni/Fe‐NC/NCF/CC displays a much positive potential (0.952 V) at 4.0 mA cm−2 for ORR and a low OER overpotential (310 mV) at 50 mA cm−2. The Zinc‐air battery with Ni/Fe‐NC/NCF/CC air‐electrode exhibits excellent battery performance with outstanding discharge/charge durability for 2150 cycles. The flexible Zn‐air batteries with foldable mechanical properties display a high power density of 105.0 mW cm−2. This work widened the way to prepare flexible bifunctional air‐electrode by designing composition/structure and in‐situ coupling.
Palladium(II) Complexes with the 4,5‐Bis(diphenylphosphino)acenaphthene Ligand and Their Reactivity with Ethylene
Authors: Dall'Anese Anna , Tosolini Massimo , Alberoni Chiara , Balducci Gabriele , Polentarutti Maurizio , Pellecchia Claudio , Tecilla Paolo , Milani Barbara
Published: October 2022

The last two decades have witnessed the development of homogeneous catalysts for ethylene homo‐ and co‐polymerization reactions based on late transition metals. When Pd(II) is the metal of choice, the best ligand‐metal combination deals with either bidentate nitrogen‐donor molecules or phosphinobenzene sulfonate derivatives. In this contribution we have investigated the coordination chemistry to Pd(II) of a bidentate phosphorus ligand, namely 4,5‐bis(diphenylphosphino)acenaphthene (1). Starting from the neutral complex, [Pd(1)(CH3)Cl], we obtained the cationic derivatives [Pd(1)(CH3)(L)][SbF6], with L being either CH3CN or 3,5‐lutidine. Using in situ NMR spectroscopy we investigated the reaction of [Pd(1)(CH3)(NCCH3)][SbF6] with ethylene, at room temperature, and ambient ethylene pressure. We discovered that [Pd(1)(CH3)(NCCH3)][SbF6] acts as a catalyst for butenes and hexenes synthesis with the relevant Pd‐ethyl intermediate as the catalyst resting state. At the same time the color of the solution turned from pale yellow to light red due to the formation of the dinuclear species [Pd(μ‐η2−C6H5)PPh)−PPh2]2[SbF6]2. Both the neutral Pd(II) complex, activated in situ by NaSbF6, and the monocationic acetonitrile derivative were tested in the ethylene homopolymerization reaction at high pressure, leading to low molecular weight, branched, polyethylene.
Synthesis, Characterization, and Catalysis of Water‐Soluble Trimeric and Monomeric Palladium Complexes of 8‐Aminoquinolines
Authors: Dolui Pritam , Verma Ashutosh , Saini Parul , Nair Abhishek , Thomas Sajesh P. , Elias Anil J.
Published: October 2022

New water soluble neutral and cationic palladium complexes were synthesized using 8‐aminoquinoline (8‐AQ) and 2‐methyl 8‐aminoquinoline (2‐Me 8‐AQ) ligands and their catalytic properties were evaluated. The neutral trimeric complexes having a Pd3N3 core were found to form when Pd(OAc)2 was reacted with 8‐AQ or 2‐Me 8‐AQ irrespective of the stoichiometry between the 2 reagents. Controlled addition of triflic acid to the neutral trimeric complex resulted in the formation of a trimeric cationic palladium complex as well as a monomeric cationic complex. A cationic palladium complex having two units of 2‐Me‐8AQ ligand was also synthesized from the cationic monomeric complex. Crystal structures of the new palladium complexes are reported in this study. The water‐soluble neutral palladium complex showed catalytic activity for the oxidation of benzyl alcohols to benzaldehydes, while the cationic palladium complexes were found to be efficient catalysts for the oxidation of styrenes to methyl ketones.
Solid‐State and Solution Self‐assembly Properties of Mono‐ and Bis‐acetylide RuII Complexes Bearing Hydrogen‐Bonding Amide Functions
Authors: Galangau Olivier , Caytan Elsa , Gallonde William T. , de Waele Isabelle , Camerel Franck , Rigaut Stéphane
Published: October 2022

In this work, we report our latest results regarding the self‐assembly properties of two Ru‐acetylides complexes and their corresponding free organic ligands, in solution and in the solid state. The four compounds show mesogenic properties, which we have rationalized thanks to extensive DSC, SAXS, POM, FTIR and molecular dynamic investigations. We clearly establish that hydrogen bonds stabilize the supramolecular structures, and that introducing the metal center and its coordination sphere induces large change in the liquid crystal properties. In addition, for the monoacetylide compound Ru2, solution‐state studies helped us rationalize its supramolecular abilities. In particular, we demonstrate that Ru2 follows an isodesmic growth supramolecular polymerization in aromatic solvent.
Modifying the Network Structures of High Energy Anodes for Lithium‐Ion Batteries through Intensive Dry Mixing
Authors: Weber Marcel , Moschner Robin , Kwade Arno
Published: October 2022

With the ongoing demand for lithium‐ion batteries in the automotive industry, the longevity of the cells is more important than ever. Previous studies on high intensive dry mixing of cathode materials have shown significant changes in product properties across the process chain. Despite a decrease in electrical conductivity, due to the fixation of carbon black particles on the active materials’ surface, electrochemical results have shown more stable long‐term cycling performance of the lithium‐ion battery cells. Despite that, no research studies investigating this process for anode materials have been published yet. Therefore, the effect of an intensive dry mixing process, using a ring shear device and state‐of‐the‐art anode materials, on the slurry, electrode, and cell properties is investigated. The tangential velocity and, therefore, the mechanical stress have been varied, as well as the amount of carbon black in the dry mixing process. The results reveal new insights into material interactions between the binder, carbon black, and the active material that can be purposefully modified. Based on the results, an optimum parameter set is suggested, which not only improves the product characteristics across the process chain, but also increases the long‐term cycling performance of the battery cells significantly.
A soybean GmDREB3 gene contributes to drought tolerance in wheat
Authors: Bai Xingxuan , Zhou Yongbin , Islam Md Ashraful , Zhang Weibin , Ning Lei , Ling Bingqi , Wang Yanxia , Xu Zhao‐Shi , Sun Daizhen , Chen Ming
Published: October 2022

DREB transcription factor can significantly improve the plant resistance to drought, high salt, low temperature, high temperature, and other abiotic stress. A previous study showed that DREB transcription factor gene GmDREB3 from soybean can improve drought resistance in tobacco, however, whether it can improve drought resistance in wheat needs to be further investigated. In the present study, GmDREB3 was transferred to a wheat variety, Shi366 and two positive lines of the T5 generation were obtained by additive culture and molecular identification. GmDREB3‐OE (overexpression) lines conferred drought tolerance characteristics, including higher survival rates, lower malondialdehyde (MDA) content, lower relative conductivity, higher chlorophyll content, and higher proline content than Shi366 wheat plants under drought stress. The SPAD, Fv/Fm, panicle number, and grain yield of GmDREB3‐OE lines were increased but the transpiration rate was decreased, compared to the Shi366 plants in the field condition under drought stress. Significant differences in the stress indices were observed between the GmDREB3–OE lines and Shi366 wheat plants, which suggested that the GmDREB3 significantly improved wheat tolerance to drought stress. In addition, RT‐qPCR analysis indicated that GmDREB3 could enhance the expression of drought‐related genes in wheat. Therefore, GmDREB3 significantly increased drought tolerance in wheat plants along with improved physiological and agronomic traits and grain yield.