bluuebunny/crossref_metadata_2025 huggingface dataset:
Studi Sifat Mekanik Re-casting Ingot A356 Produksi PT. INALUM Menggunakan Cooling Slope
Authors: Karmani Tugiman , Mubaroh Husni , SAT Qory Fauzan , Chandra Adi , Lasmana Satria
Published: April 2021

Alumunium (Al) A356 yang memiliki sifat mekanis yang baik telah secara luas dipergunakan di bidang teknik. Namun tidak dapat dihindari proses pengecoran ulang bahan Al termasuk A356 akan menurunkan sifat mekanis. Usaha perbaikan dan meminimalkan pengaruh tersebut telah dilakukan dengan berbagai cara diantaranya menggunakan cooling slope. Penelitian ini bertujuan untuk mengetahui sifat mekanis dan mikrostruktur pengecoran ulang aluminium A356 menggunakan metode cooling slope. Temperature penuangan 680oC dengan kemiringan 30˚, 45˚, 60˚ dan panjang pelat 80 cm dipasang sesaat sebelum cairan memasuki cetakan permanen. Observasi mikrostruktur menggunakan optical microscope (OM) memperlihatkan mikrostruktur tersusun dari primari Al dan partikel silikon. Variasi kemiringan pelat pada saat penuangan juga memengaruhi kehalusan mikrostruktur. Hasil pengujian kekerasan tertinggi 62 HB diperoleh pada variasi sudut tuang 30˚. Pengujian ketahanan aus dilakukan pada kondisi kering tanpa pelumas menggunakan metode pin on disc di mana diperoleh laju keausan paling rendah pada bahan dengan sudut kemiringan 30o dan tertinggi pada sudut 60o. Pada bagian lain, pengujian tarik dilakukan pada suhu kamar dengan hasil memperlihatkan kekuatan tarik maksimum 157 MPa untuk sampel dengan penuangan 30o.
Analisa Pembebanan pada Railing Overhead Conveyor untuk Kandang Ayam Broiler Tipe Closed House
Authors: Munadi M , Haryanto Ismoyo , Maulana Gafar
Published: April 2021

Terdapat dua proses pemindahan barang dalam peternakan ayam broiler yang masih menggunakan metode konvensional, yaitu pada proses pengangkutan sekam dan penjarangan (pemanenan) ayam broiler. Pada usaha beternak ayam broiler, diperlukan efisiensi waktu dan tenaga dengan tidak mengurangi kualitas ayam broiler yang dihasilkan. Salah satu usaha efisiensi adalah mengurangi ongkos pemindahan barang dalam pada kandang closed house adalah dengan membuat overhead conveyor. Overhead conveyor dirancang untuk mengurangi waktu persiapan kandang ayam broiler diisi DOC (day old chicken) maupun saat panen. Analisa pembebanan atas desain railing overhead conveyor dilakukan untuk mengetahui faktor keamanan (safety factor). Analisa pembebanan dilakukan melalui pendekatan dua model yaitu railing lurus 1 m dan railing belok dengan kurvatur 0,6 m. Berdasarkan hasil analisa pembebanan, nilai faktor keamanan pada railing overhead conveyor lurus 1 m sebesar 2,3; sedangkan railing belok dengan kurvatur 0,6 m sebesar 2,45. Berdasarkan nilai tersebut, maka desain dinyatakan aman untuk dibuat prototipe.
Psychological health damages related to the work of professionals in a general hospital / Danos psicológicos à saúde relacionados ao trabalho dos profissionais de um hospital geral
Authors: França Raiane Caroline da Silva , Nelson Isabel Cristina Amaral de Sousa Rosso , Costa Jackeline de Freitas
Published: April 2021

Objetivo: avaliar se os profissionais de um hospital geral sofrem danos psicológicos à saúde relacionados ao contexto de trabalho no qual estão inseridos. Método: Trata-se de uma pesquisa epidemiológica, observacional, descritivo, com delineamento transversal e abordagem quantitativa, realizada em um Hospital Geral. A amostra foi composta por 205 colaboradores. Os danos psicológicos desses profissionais foram avaliados com a Escala de Avaliação dos Danos Relacionados ao Trabalho. Resultados: Participaram da pesquisa 18 categorias profissionais de níveis médio, técnico e superior, sendo as mulheres e os profissionais que trabalham no turno noturno que apresentaram maiores danos psicológicos. Os itens da escala solidão a tristeza foram apontadas com maior porcentagem para muito grave. Conclusões: Os danos psicológicos relacionados ao trabalho permeiam as vivências de sentimento de prazer no trabalho, fazendo-se necessário intervenções de cuidado para o público estudado.
Determinants for tuberculosis and hiv: people in the street situation / Determinantes para tuberculose e HIV: pessoas em situação de rua
Authors: Rodrigues Brenda Feitosa Lopes , Brasil Maria Hellena Ferreira , Ferreira Milenna Azevedo Minhaqui , Patrício Anna Cláudia Freire de Araújo , Do Nascimento João Agnaldo
Published: April 2021

Objetivo: analisar determinantes para tuberculose e HIV de pessoas em situação de rua. Método: pesquisa quantitativa, transversal, realizada em 2017 em um Hospital de Referência para Doenças Infectocontagiosas em João Pessoa/PB, Brasil. A amostra foi composta por 10 pessoas em situação de rua diagnosticadas com tuberculose. Foram observados os preceitos éticos conforme Resolução 466/2012 do Conselho Nacional de Saúde. A análise foi realizada através do programa Statistical Package for the Social Sciences (SPSS). Resultados: 70%(7) homens, 60%(6) analfabeto. Registrou-se que 100%(10) não frequentam serviço de saúde, 90%(9) realizam atividade sexual sem preservativo, 70%(7) utilizam drogas ilícitas. O escore dos determinantes para HIV e tuberculose estão associados ao tempo em situação de rua e ao tempo de internação. Conclusões: É necessário desenvolver e cumprir políticas que visem alcançar melhores condições de vida e de acesso a assistência à saúde para as pessoas em situação de rua.
Oxidation and Hot Gas Corrosion of Al–Cr–Fe–Ni‐Based High‐Entropy Alloys with Addition of Co and Mo
Authors: Gabrysiak Katharina Nicole , Gaitzsch Uwe , Weißgärber Thomas , Kieback Bernd
Published: April 2021

Multicomponent, high‐entropy alloys (HEAs) are promising candidates for replacing conventional alloys in high‐temperature applications. Herein, the high‐temperature corrosion of AlCrFeNiX0.5 (X = Co, Mo) is investigated. The samples are tested for their oxidation resistance at temperatures up to 1200 °C for 120 h and their behavior in NaCl/Na2SO4 at 900 °C for 96 h. They are benchmarked against commercial alloys such as FeCrAl. Despite the same contents of Al and Cr, the HEAs form different oxide layers showing very different oxidation resistance. The type of oxide is related to the multiphase microstructure. The samples exhibit different amounts of ordered and unordered body‐centered cubic (bcc) phase. The Co‐containing specimen shows an oxidation resistance that performs similarly well as FeCrAl. Its behavior is ascribed to the formation of an Al2O3 layer, which is very stable at high temperatures. The sample with X = Mo exhibits an additional Mo‐rich sigma phase, thus posing the risk of catastrophic oxidation. However, the Mo‐containing HEA is more resistant in the environment of molten salt. Preoxidation treatment at a lower oxygen partial pressure proves to prolong life span of the Mo‐containing HEA in hot air. Furthermore, a positive impact on oxidation resistance by addition of Y is affirmed.
Breaking Polymer Chains with Self‐Propelled Light‐Controlled Navigable Hematite Microrobots
Authors: Urso Mario , Ussia Martina , Pumera Martin
Published: April 2021

The increasing use of polymers has led to an uncontrollable accumulation of polymer waste in the environment, evidencing the urgent need for effective and definitive strategies to degrade them. Here, self‐propelled light‐powered magnetic field‐navigable hematite/metal Janus microrobots that can actively move, capture, and degrade polymers are presented. Janus microrobots are fabricated by asymmetrically depositing different metals on hematite microspheres prepared by low‐cost and large‐scale chemical synthesis. All microrobots exhibit fuel‐free motion capability, with light‐controlled on/off switching of motion and magnetic field‐controlled directionality. Higher speeds are observed for bimetallic coatings with respect to single metals. This is due to their larger mixed potential difference with hematite as indicated by Tafel measurements. As a model for polymers, the total degradation of high molecular weight polyethylene glycol is demonstrated by matrix‐assisted laser desorption/ionization mass spectrometry. This result is attributed to the active motion of microrobots, enhanced electrostatic capture of polymer chains, improved charge separation at the hematite/metal interface, and catalyzed photo‐Fenton reaction. This work opens the route toward the degradation of polymers and plastics in water using light.
Soluble and Microparticle‐Based Delivery of TLR4 and TLR9 Agonists Differentially Modulate 3D Chemotaxis of Bone Marrow‐Derived Dendritic Cells
Authors: Atalis Alexandra , Dixon J. Brandon , Roy Krishnendu
Published: April 2021

Vaccines are commonly administered subcutaneously or intramuscularly, and local immune cells, notably dendritic cells (DCs), play a significant role in transporting vaccine antigens and adjuvants to draining lymph nodes. Here, it is compared how soluble and biomaterial‐mediated delivery of Toll‐like receptor (TLR)‐targeted adjuvants, monophosphoryl lipid A (MPLA, TLR4 ligand) and 5'‐C‐phosphate‐G‐3' DNA (CpG DNA, TLR9 ligand), modulate 3D chemotaxis of bone marrow‐derived dendritic cells (BMDCs) toward lymphatic chemokine gradients. Within microfluidic devices containing 3D collagen‐based matrices to mimic tissue conditions, soluble MPLA increases BMDC chemotaxis toward gradients of CCL19 and CCL21, while soluble CpG has no effect. Delivering CpG on poly(lactic‐co‐glycolic) acid microparticles (MPs) enhances BMDC chemotaxis compared to MPLA‐encapsulated MPs, and when co‐delivered, MPLA and CpG do not synergistically enhance BMDC migration. It is concluded that supplementing granulocyte‐macrophage colony stimulating factor‐derived BMDC culture with interleukin‐4 is necessary to induce CCR7 expression and chemotaxis of BMDCs. Different cell subsets in BMDC culture upregulate CCR7 in response to soluble versus biomaterial‐loaded MPLA and CpG, and CCR7 expression does not consistently correlate with functional migration. The results show both adjuvant type and delivery method influence chemotaxis of DCs, and these findings uncover new directions for the rational design of vaccine formulations.
Energy Harvesting Untethered Soft Electronic Devices
Authors: Kim Kyun Kyu , Choi Joonhwa , Ko Seung Hwan
Published: April 2021

Advances in wearable and stretchable electronic technologies have yielded a wide range of electronic devices that can be conformably worn by, or implanted in humans to measure physiological signals. Moreover, various cutting‐edge technologies for battery‐free electronic devices have led to advances in healthcare devices that can continuously measure long‐term biosignals for advanced human–machine interface and clinical diagnostics. This report presents the recent progress in battery‐less, wearable devices using a wide range of energy harvesting sources, such as electromagnetic energy, mechanical energy, and biofuels. Additionally, this report also discusses the principles and working mechanisms of near/far‐field communications, triboelectric, thermoelectric, and biofuel technologies.
Conductive Hydrogels with Dynamic Reversible Networks for Biomedical Applications
Authors: Xu Yong , Patino Gaillez Michelle , Rothe Rebecca , Hauser Sandra , Voigt Dagmar , Pietzsch Jens , Zhang Yixin
Published: April 2021

Conductive hydrogels (CHs) are emerging as a promising and well‐utilized platform for 3D cell culture and tissue engineering to incorporate electron signals as biorelevant physical cues. In conventional covalently crosslinked conductive hydrogels, the network dynamics (e.g., stress relaxation, shear shining, and self‐healing) required for complex cellular functions and many biomedical utilities (e.g., injection) cannot be easily realized. In contrast, dynamic conductive hydrogels (DCHs) are fabricated by dynamic and reversible crosslinks. By allowing for the breaking and reforming of the reversible linkages, DCHs can provide dynamic environments for cellular functions while maintaining matrix integrity. These dynamic materials can mimic some properties of native tissues, making them well‐suited for several biotechnological and medical applications. An overview of the design, synthesis, and engineering of DCHs is presented in this review, focusing on the different dynamic crosslinking mechanisms of DCHs and their biomedical applications.
Woven Electroanalytical Biosensor for Nucleic Acid Amplification Tests
Authors: Khaliliazar Shirin , Öberg Månsson Ingrid , Piper Andrew , Ouyang Liangqi , Réu Pedro , Hamedi Mahiar Max
Published: April 2021

Fiber‐based biosensors enable a new approach in analytical diagnostic devices. The majority of textile‐based biosensors, however, rely on colorimetric detection. Here a woven biosensor that integrates microfluidics structures in combination with an electroanalytical readout based on a thiol‐self‐assembled monolayer (SAM) for Nucleic Acid Amplification Testing, NAATs is shown. Two types of fiber‐based electrodes are systematically characterized: pure gold microwires (bond wire) and off‐the‐shelf plasma gold‐coated polyester multifilament threads to evaluate their potential to form SAMs on their surface and their electrochemical performance in woven textile. A woven electrochemical DNA (E‐DNA) sensor using a SAM‐based stem‐loop probe‐modified gold microwire is fabricated. These sensors can specifically detect unpurified, isothermally amplified genomic DNA of Staphylococcus epidermidis (10 copies/µL) by recombinase polymerase amplification (RPA). This work demonstrates that textile‐based biosensors have the potential for integrating and being employed as automated, sample‐to‐answer analytical devices for point‐of‐care (POC) diagnostics.
Why the Circular Economy Will Drive Green and Sustainable Chemistry in Electronics
Authors: Kirschner Michael
Published: April 2021

Electronic product manufacturers have successfully used a linear product life cycle management process (PLMP) for product definition, development, and manufacturing for decades. While this has met industry's and the markets’ requirements in the past, today markets are increasingly demanding products that are “circular”: more durable, more recyclable, longer‐lived, and less toxic. PLMP requirements must now include criteria that will enable a more circular economy; these criteria can drive demand for green and sustainable chemistry in the electronics industry and its supply chain.
Phase Engineering Chirped Super Rogue Waves in a Nonlinear Transmission Network with Dispersive Elements
Authors: Kengne Emmanuel , Liu WuMing
Published: April 2021

A discrete nonlinear transmission network with dispersive element is considered. It is shown that the dynamics of slowly modulated waves propagating in this network are governed by a generalized cubic‐quintic nonlinear Schrödinger equation with self‐steepening and self‐frequency shift. Through the baseband modulational instability (MI) analysis, the conditions for this network to support the propagation of chirped super rogue waves (SRWs) are obtained. Based on the analytical rational solutions of the governed equation, chirped first‐ and second‐order super rogue waves are engineered in the nonlinear transmission network under consideration. The effects of the dispersive elements of the network on the chirped SRWs propagating in the network system are investigated. Particularly, it is shown that the introduction of the dispersive linear capacitance of the network enhances the baseband MI and both the derived SRWs and the corresponding frequency chirp are localized in both time and space. It is also shown that the structure of the frequency chirp depends strongly on the pulse self‐steepening and self‐frequency shift.
New York's Presumptive ADR Experience Reflects Internal Buy‐In Aided by Legal Profession Support
Authors: Kiernan John S.
Published: April 2021

Progress over the past few years in using court‐sponsored alternative dispute resolution as a mechanism for resolving disputes that would otherwise continue in drawn‐out and expensive litigations has been enormous.
The Clinician's Interview‐Based Impression of Change (Plus caregiver input) and goal attainment in two dementia drug trials: Clinical meaningfulness and the initial treatment response
Authors: Stanley Justin , Howlett Susan E. , Dunn Taylor , Rockwood Kenneth
Published: April 2021

INTRODUCTION

The Clinician's Interview‐Based Impression of Change Plus caregiver input (CIBIC‐Plus) has been widely used in dementia drug trials to evaluate cognition, behavior, and function. New trials of symptomatic drugs forecast renewed interest in this measure.

METHODS

To test its clinical meaningfulness, we examined how CIBIC‐Plus performed in two cholinesterase inhibitor trials compared to goal attainment scaling Scale (GAS) scores, a patient‐reported outcome measure.

RESULTS

Net goal attainment was seen for all but one GAS domains in subjects who improved on the CIBIC‐Plus. Subjects who improved initially on CIBIC‐Plus scores were likely to remain improved across all other outcomes for each trial's duration, except for Disability Assessment for Dementia scores.

DISCUSSION

The initial response to treatment, as assessed by CIBIC‐Plus, remained stable for most outcome measures. Even small CIBIC‐Plus improvement changes are associated with clinically meaningful change as assessed by GAS. Other tests detect decline better than improvement.
Strategies to Implement a Competency Assessment Verification Program
Authors: O’Neal Julie , Fencl Jennifer L.
Published: April 2021

Professional role competence is an essential element of nursing practice and an integral component of providing safe perioperative patient care. In the health care setting, verifying professional role competence and managing the associated documentation can be complex. Educators can use a variety of modalities (eg, flipped classrooms, gaming, podcasts) to present information in a manner that supports adult learning principles. When developing a competency assessment verification program, perioperative leaders should use a structured model to provide consistency; they also should partner with staff members and other key stakeholders (eg, surgeons, risk management personnel) to identify and prioritize ongoing competencies. The leaders and educators should identify competency verification methods, and leaders should designate qualified observers if needed. Documentation of competency activities should be stored in an easily accessible location. Implementing a standardized competency assessment verification program is a best practice that should result in improved patient outcomes.
An Examination of Factors That Predict the Perioperative Culture of Safety
Authors: Wright M. Imelda , Polivka Barbara , Abusalem Said
Published: April 2021

The perioperative setting is an intricate, complicated work environment in which patients are vulnerable to adverse events. Using a convenience sample, we examined relationships between the length of perioperative nurse experience, perioperative nurse engagement, and an OR culture of safety. We explored differences in safety culture scores based on CNOR certification status. There was no significant relationship between the length of perioperative nurse experience and the level of OR culture of safety. However, perioperative nurse engagement had a significant relationship with an OR culture of safety (P < .001), and this factor was a significant predictor of an OR culture of safety (P < .001). Perioperative nurses who held CNOR certification had significantly higher culture of safety scores compared with those who did not (P = .004). Additional research on perioperative nurse engagement and factors relating to patient safety may help perioperative leaders develop and implement engagement strategies.
Clinical Issues—May 2021
Authors: Jones Emily
Published: April 2021

THIS MONTH

Surgical technologists inserting urinary catheters

Key words: surgical technologist (ST), urinary catheter insertion, catheter‐associated urinary tract infection (CAUTI), task delegation, competency.

Assisting the anesthesia professionals with cricoid pressure

Key words: cricoid pressure, Sellick maneuver, airway, induction, aspiration.

Perioperative care of the patient with a corn food allergy

Key words: corn allergy, dextrose, anaphylaxis, derivatives, food allergy.
In Situ Bismuth Nanosheet Assembly for Highly Selective Electrocatalytic CO2 Reduction to Formate
Authors: Peng Chan‐Juan , Wu Xin‐Tao , Zeng Guang , Zhu Qi‐Long
Published: April 2021

The reduction of carbon dioxide (CO2) into value‐added fuels using an electrochemical method has been regarded as a compelling sustainable energy conversion technology. However, high‐performance electrocatalysts for CO2 reduction reaction (CO2RR) with high formate selectivity and good stability need to be improved. Earth‐abundant Bi has been demonstrated to be active for CO2RR to formate. Herein, we fabricated an extremely active and selective bismuth nanosheet (Bi‐NSs) assembly via an in situ electrochemical transformation of (BiO)2CO3 nanostructures. The as‐prepared material exhibits high activity and selectivity for CO2RR to formate, with nearly 94% faradaic efficiency at −1.03 V (versus reversible hydrogen electrode (vs. RHE)) and stable selectivity (>90%) in a large potential window ranging from −0.83 to −1.18 V (vs. RHE) and excellent durability during 12 h continuous electrolysis. In addition, the Bi‐NSs based CO2RR/methanol oxidation reaction (CO2RR/MOR) electrolytic system for overall CO2 splitting was constructed, evidencing the feasibility of its practical implementation.
“High‐risk” host cell proteins (HCPs): A multi‐company collaborative view
Authors: Jones Marisa , Palackal Nisha , Wang Fengqiang , Gaza‐Bulseco Georgeen , Hurkmans Karen , Zhao Yiwei , Chitikila Carmelata , Clavier Severine , Liu Suli , Menesale Emily , Schonenbach Nicole S. , Sharma Satish , Valax Pascal , Waerner Thomas , Zhang Lei , Connolly Trish
Published: April 2021

Host cell proteins (HCPs) are process‐related impurities that may copurify with biopharmaceutical drug products. Within this class of impurities there are some that are more problematic. These problematic HCPs can be considered high‐risk and can include those that are immunogenic, biologically active, or enzymatically active with the potential to degrade either product molecules or excipients used in formulation. Some have been shown to be difficult to remove by purification. Why should the biopharmaceutical industry worry about these high‐risk HCPs? What approach could be taken to understand the origin of its copurification and address these high‐risk HCPs? To answer these questions, the BioPhorum Development Group HCP Workstream initiated a collaboration among its 26‐company team with the goal of industry alignment around high‐risk HCPs. The information gathered through literature searches, company experiences, and surveys were used to compile a list of frequently seen problematic/high‐risk HCPs. These high‐risk HCPs were further classified based on their potential impact into different risk categories. A step‐by‐step recommendation is provided for establishing a comprehensive control strategy based on risk assessments for monitoring and/or eliminating the known impurity from the process that would be beneficial to the biopharmaceutical industry.
Environmental performance and bank lending: Evidence from unlisted firms
Authors: Wellalage Nirosha Hewa , Kumar Vijay
Published: April 2021

Growing public concerns about sustainability and adopting environmentally responsible practices increase risks as well as opportunities for firms and banks. It is unclear whether being environmentally responsible matters for unlisted firms, which are significant contributors to the degradation of the environment but which are not under strict scrutiny like public listed firms. Using a sample of 3915 firms from developing economies, we investigate whether the superior environmental performance of unlisted firms leads them to better loan conditions. After controlling for endogeneity and sample selection bias, we find that firms with better environmental performance received approximately 6.4% higher loans (as a ratio of total sales) and that this effect is more prominent in small and medium firms. This finding supports an information asymmetry view of agency costs. Our results, however, show that environmental performance does not affect loan duration and collateral requirement, indicating no spillover economic effect of corporate environmental performance on loan conditions. This partially supports a new perspective of legitimacy theory in relation to the ‘greenwash strategy’. Overall, our study shows that strategically engaged environmental activities that are integrated with core business objectives represent an important business strategy for firms to enhance credit access.
Protective Effect of n‐Butanol Extract from Viola yedoensis on Immunological Liver Injury
Authors: Chu Haiqing , Wang Jiexin , Wang Qian , Chen Jie , Li Jiaoning , Li Hangying , Zhang Liming
Published: April 2021

Viola yedoensis Makino was used to treat inflammation, viral hepatitis, acute pyogenic infection, and ulcerative carbuncles. However, the protective effect on immunological liver injury (ILI) of V. yedoensis had been rarely reported. This study aimed to explore the protective effect of n‐butanol extract (BE) from V. yedoensis on ILI in vitro and in vivo. In vitro, the BE significantly inhibited the secretions of Hepatitis B surface antigen (HBsAg) and Hepatitis B e antigen (HBeAg) in the HepG2.2.15 cells and the replication of HBV DNA. The research data in vivo revealed that the BE reduced the levels of alanine transaminase (ALT), aspartate transaminase (AST), and methane dicarboxylic aldehyde (MDA) in liver tissues of the ConA‐induced mice, while increased the activities of superoxide dismutase (SOD), glutathione peroxidase (GSH‐PX), and the effective contents of tumor necrosis factor‐α (TNF‐α), interferon‐γ (IFN‐γ) and the BE could ameliorate liver histological lesions. These results motivated a further investigation into the chemical constituents of BE. Four coumarins (esculetin, prionanthoside, cichoriin, and esculin) and one flavonoid (quercetin‐3‐O‐galactoside) were isolated from the BE by silica gel column chromatography and recrystallization, of which structures were eventually confirmed by 1H‐NMR, 13C‐NMR, and MS.
Efficacious Alkaline Copper Corrosion Inhibition by a Mixed Ligand Copper(II) Complex of 2,2′‐Bipyridine and Glycine: Electrochemical and Theoretical Studies
Authors: Ibrahim Mohamed M. , Saleh Dalia I. , El‐Hendawy Morad M. , Fallatah Ahmed M. , Mersal G. A. M. , Boukherroub Rabah , Wysocka Joanna , Ryl Jacek , Amin Mohammed A.
Published: April 2021

A mixed ligand copper(II) complex, namely, [Cu(BPy)(Gly)Cl]⋅2H2O (CuC) (BPy=2,2′‐bipyridine and Gly=glycine), was synthesized and characterized. The synthesized CuC complex was tested as inhibitor to effectively mitigate the corrosion of copper in alkaline solutions using the linear sweep voltammetry (LSV) and linear polarization resistance (LPR) techniques. For the sake of comparison, such two D.C. electrochemical techniques were also applied to the Cu/OH− interface in the presence of the two studied free ligands, namely, BPy and Gly. The results showed that the three studied compounds acted as mixed‐type inhibitors, with CuC being the most efficacious one. The adsorption of the inhibitor is confirmed from X‐ray photoelectron spectroscopy (XPS) profiles by the appearance of organic chlorine as well as pyridine and amine nitrogen bonds. Based on XPS data, it was presumed that the corrosion inhibitor stimulates the formation of Cu2CO3(OH)2 species at the electrode surface since, in the case of a corroded reference sample (in absence of inhibitors), its proportion is trivial. The reactivity of the isolated inhibitors was analyzed by computing several quantum chemical parameters based on the density functional theory (DFT). A good correlation was found between these parameters and the anticorrosive performance. Additionally, Monte Carlo simulation studies were applied to find the best configurational space of ligands and their complex on the Cu(111) surface.
Building an Iron Chromophore Incorporating Prussian Blue Analogue for Photoelectrochemical Water Oxidation
Authors: Ghobadi T. Gamze Ulusoy , Ghobadi Amir , Demirtas Merve , Buyuktemiz Muhammed , Ozvural Kubra N. , Yildiz Elif Akhuseyin , Erdem Emre , Yaglioglu H. Gul , Durgun Engin , Dede Yavuz , Ozbay Ekmel , Karadas Ferdi
Published: April 2021

The replacement of traditional ruthenium‐based photosensitizers with low‐cost and abundant iron analogs is a key step for the advancement of scalable and sustainable dye‐sensitized water splitting cells. In this proof‐of‐concept study, a pyridinium ligand coordinated pentacyanoferrate(II) chromophore is used to construct a cyanide‐based CoFe extended bulk framework, in which the iron photosensitizer units are connected to cobalt water oxidation catalytic sites through cyanide linkers. The iron‐sensitized photoanode exhibits exceptional stability for at least 5 h at pH 7 and features its photosensitizing ability with an incident photon‐to‐current conversion capacity up to 500 nm with nanosecond scale excited state lifetime. Ultrafast transient absorption and computational studies reveal that iron and cobalt sites mutually support each other for charge separation via short bridging cyanide groups and for injection to the semiconductor in our proof‐of‐concept photoelectrochemical device. The reorganization of the excited states due to the mixing of electronic states of metal‐based orbitals subsequently tailor the electron transfer cascade during the photoelectrochemical process. This breakthrough in chromophore‐catalyst assemblies will spark interest in dye‐sensitization with robust bulk systems for photoconversion applications.
1,2‐ or 1,3‐Hydride Shifts: What Controls Guaiane Biosynthesis?
Authors: Xu Houchao , Goldfuss Bernd , Dickschat Jeroen S.
Published: April 2021

A systematic computational study addressing the entire chemical space of guaianes in conjunction with an analysis of all known compounds shows that 1,3‐hydride shifts are rare events in guaiane biosynthesis. As demonstrated here, 1,3‐hydride shifts towards guaianes can only be realized for two stereochemically well defined out of numerous possible stereoisomeric skeletons. One example is given by the mechanism of guaia‐4(15)‐en‐11‐ol synthase from California poplar, an enzyme that yields guaianes with unusual stereochemical properties. The general results from DFT calculations were experimentally verified through isotopic‐labeling experiments with guaia‐4(15)‐en‐11‐ol synthase.
Inherent Ethyl Acetate Selectivity in a Trianglimine Molecular Solid
Authors: He Donglin , Zhao Chengxi , Chen Linjiang , Little Marc A. , Chong Samantha Y. , Clowes Rob , McKie Katherine , Roper Mark G. , Day Graeme M. , Liu Ming , Cooper Andrew I.
Published: April 2021

Ethyl acetate is an important chemical raw material and solvent. It is also a key volatile organic compound in the brewing industry and a marker for lung cancer. Materials that are highly selective toward ethyl acetate are needed for its separation and detection. Here, we report a trianglimine macrocycle (TAMC) that selectively adsorbs ethyl acetate by forming a solvate. Crystal structure prediction showed this to be the lowest energy solvate structure available. This solvate leaves a metastable, “templated” cavity after solvent removal. Adsorption and breakthrough experiments confirmed that TAMC has adequate adsorption kinetics to separate ethyl acetate from azeotropic mixtures with ethanol, which is a challenging and energy‐intensive industrial separation.
Next‐Generation Kinase Inhibitors Targeting Specific Biomarkers in Non‐Small Cell Lung Cancer (NSCLC): A Recent Overview
Authors: Das Debasis , Wang Jingbing , Hong Jian
Published: April 2021

Lung cancer causes many deaths globally. Mutations in regulatory genes, irregularities in specific signal transduction events, or alterations of signalling pathways are observed in cases of non‐small cell lung cancer (NSCLC). Over the past two decades, a few kinases have been identified, validated, and studied as biomarkers for NSCLC. Among them, EGFR, ALK, ROS1, MET, RET, NTRK, and BRAF are regarded as targetable biomarkers to cure and/or control the disease. In recent years, the US Food and Drug Administration (FDA) approved more than 15 kinase inhibitors targeting these NSCLC biomarkers. The kinase inhibitors significantly improved the progression‐free survival (PFS) of NSCLC patients. Challenges still remain for metastatic diseases and advanced NSCLC cases. New discoveries of potent kinase inhibitors and rapid development of modern medical technologies will help to control NSCLC cases. This article provides an overview of the discoveries of various types of kinase inhibitors against NSCLC, along with medicinal chemistry aspects and related developments in next‐generation kinase inhibitors that have been reported in recent years.
The Electrophilicities of XCF3 and XCl (X=H, Cl, Br, I) and the Propensity of These Molecules To Form Hydrogen and Halogen Bonds with Lewis Bases: An Ab Initio Study
Authors: Alkorta I. , Legon A. C.
Published: April 2021

Equilibrium dissociation energies, De, of four series of halogen‐ and hydrogen‐bonded complexes B⋅⋅⋅XCF3 (X=H, Cl, Br and I) are calculated ab initio at the CCSD(T)(F12c)/cc‐pVDZ‐F12 level. The Lewis bases B involved are N2, CO, PH3, C2H2, C2H4, H2S, HCN, H2O and NH3. Plots of De versus NB, where the NB are the nucleophilicities assigned to the Lewis bases previously, are good straight lines through the origin, as are those for the corresponding set of complexes B⋅⋅⋅XCl. The gradients of the De versus NB plots define the electrophilicities EXCF3 and EXCl of the various Lewis acids. The determined values are: EXCF3=2.58(22), 1.40(9), 2.15(2) and 3.04(9) for X=H, Cl, Br and I, respectively, and EXCl=4.48(22), 2.31(9), 4.37(27) and 6.06(37) for the same order of X. Thus, it is found that, for a given X, the ratio EXCl/ EXCF3 is 2 within the assessed errors, and therefore appears to be independent of the atom X and of the type of non‐covalent interaction (hydrogen bond or different varieties of halogen bond) in which it is involved. Consideration of the molecular electrostatic surface potentials shows that De and the maximum positive electrostatic potential σmax (the most electrophilic region of XCF3 and XCl, which lies on the symmetry axes of these molecules, near to the atom X) are strongly correlated.
18.4 % Organic Solar Cells Using a High Ionization Energy Self‐Assembled Monolayer as Hole‐Extraction Interlayer
Authors: Lin Yuanbao , Magomedov Artiom , Firdaus Yuliar , Kaltsas Dimitris , El‐Labban Abdulrahman , Faber Hendrik , Naphade Dipti R. , Yengel Emre , Zheng Xiaopeng , Yarali Emre , Chaturvedi Neha , Loganathan Kalaivanan , Gkeka Despoina , AlShammari Sanaa H. , Bakr Osman M. , Laquai Frédéric , Tsetseris Leonidas , Getautis Vytautas , Anthopoulos Thomas D.
Published: April 2021

Self‐assembled monolayers (SAMs) based on Br‐2PACz ([2‐(3,6‐dibromo‐9H‐carbazol‐9‐yl)ethyl]phosphonic acid) 2PACz ([2‐(9H‐Carbazol‐9‐yl)ethyl]phosphonic acid) and MeO‐2PACz ([2‐(3,6‐dimethoxy‐9H‐carbazol‐9‐yl)ethyl]phosphonic acid) molecules were investigated as hole‐extracting interlayers in organic photovoltaics (OPVs). The highest occupied molecular orbital (HOMO) energies of these SAMs were measured at −6.01 and −5.30 eV for Br‐2PACz and MeO‐2PACz, respectively, and found to induce significant changes in the work function (WF) of indium‐tin‐oxide (ITO) electrodes upon chemical functionalization. OPV cells based on PM6 (poly[(2,6‐(4,8‐bis(5‐(2‐ethylhexyl‐3‐fluoro)thiophen‐2‐yl)‐benzo[1,2‐b:4,5‐b’]dithiophene))‐alt‐(5,5‐(1’,3’‐di‐2‐thienyl‐5’,7’‐bis(2‐ethylhexyl)benzo[1’,2’‐c:4’,5’‐c’]dithiophene‐4,8‐dione)]) : BTP‐eC9 : PC71BM ([6,6]‐phenyl‐C71‐butyric acid methyl ester) using ITO/Br‐2PACz anodes exhibited a maximum power conversion efficiency (PCE) of 18.4 %, outperforming devices with ITO/MeO‐2PACz (14.5 %) and ITO/poly(3,4‐ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT : PSS) (17.5 %). The higher PCE was found to originate from the much higher WF of ITO/Br‐2PACz (−5.81 eV) compared to ITO/MeO‐2PACz (4.58 eV) and ITO/PEDOT : PSS (4.9 eV), resulting in lower interface resistance, improved hole transport/extraction, lower trap‐assisted recombination, and longer carrier lifetimes. Importantly, the ITO/Br‐2PACz electrode was chemically stable, and after removal of the SAM it could be recycled and reused to construct fresh OPVs with equally impressive performance.
Spectrum measurement and utilization in an outdoor 5‐GHz Wi‐Fi network using cooperative cognitive radio system
Authors: El‐Shafai Walid , Fawzi Ahmed , Zekry Abdelhalim , Abd El‐Samie Fathi E. , Abd‐Elnaby Mohammed
Published: April 2021

Nowadays, the popular 2.4‐GHz band is used in different systems, such as Wi‐Fi, Bluetooth, wireless sensor systems, and wireless cameras. Instead of the over‐crowded 2.4‐GHz Wi‐Fi band, this research offers the experience of using the 5‐GHz Wi‐Fi band, which provides more spectrum availability, more channels, larger bandwidth, faster data transmission, higher data rates, higher speed, and better quality of service compared to those of the 2.4‐GHz band. In this paper, practical implementation and testing of a cooperative spectrum sensing system are presented. The spectrum utilization in the 5‐GHz Wi‐Fi licensed band at six different locations is investigated to allow the transition of secondary users (SUs) to free bands. The spectrum measurement is performed on a centralized cooperative spectrum sensing system, which consists of a master cognitive radio node and five cognitive radio stations. The measurement and simulation results for the practical system are compared with the previous related measurements obtained in Singapore, Barcelona, North Dakota (USA), and Germany. They all agree that the spectrum is underutilized, and it needs to be better utilized for increasing the spectrum efficiency. The practical results show that the newly implemented system in the 5‐GHz range fulfills the requirements of users with high efficiency and high quality of service compared to those of the 2.4‐GHz system.
The strength of cytomorphology and efficacy of immuno‐cytochemistry in distinguishing hepatocellular carcinoma from its mimics on fine‐needle aspiration cytology
Authors: Chikhale Mangesh , Toi Pampa Ch , Siddaraju Neelaiah , Ananthakrishnan Ramesh
Published: April 2021

Background

Cytomorphologic distinction of hepatocellular carcinoma (HCC) from its mimics on fine‐needle aspiration cytology (FNAC) is often problematic. The present study evaluates the strength of cytomorphology and the utility of an immuno‐panel of arginase‐1, glypican‐3, HepPar‐1, thyroid transcription factor (TTF‐1) and CK‐19 in resolving this diagnostic issue.

Methods

FNAC features of 71 nodular hepatic lesions were studied with an immunocyto/ histochemical (ICC/IHC) panel of arginase‐1, glypican‐3, HepPar‐1, TTF‐1 taking 10% positivity as “cut‐off.” Cytomorpholologic diagnoses were compared with diagnoses made on combined cytomorphologic and ICC/IHC approach.

Results

Of 71 cases, 32, 10 and 29 had histopathologic, cell block and clinico‐radiologic correlation respectively with 55 metastatic adenocarcinomas (MAC), 13 HCCs and one case each of hepatic adenoma (HA), cirrhotic nodule (CN) and intrahepatic cholangiocarcinoma (CC). Cytoplasmic positivity of HepPar‐1 and glypican‐3 were noted in 11/13 and 8/13 HCCs respectively; while only 3/13 and 1/13 HCCs revealed cytoplasmic positivity for arginase‐1 and TTF‐1 respectively. Benign hepatic lesions were negative for glypican‐3 and TTF‐1, but expressed both arginase‐1and HepPar‐1. Twenty‐one of 55 MACs and the lone case of CC were positive for CK‐19; however, all MACs and CC cases were negative for HepPar‐1, arginase‐1, glypican‐3 and TTF‐1. The immune‐panel had sensitivity, specificity and diagnostic accuracy of 100%, 88.9% and 90.6%, respectively, for differentiating HCC from its morphologic mimics.

Conclusion

Though a meticulous cytologic evaluation in conjunction with clinicoradiologic profile helps in distinguishing HCC from its benign and malignant mimics; an immunopanel of arginase‐1, glypican‐3, HepPar‐1, TTF‐1 and CK‐19 drastically improves the diagnostic accuracy.
Repurposing of FDA‐approved drugs as inhibitors of sterol C‐24 methyltransferase of Leishmania donovani to fight against leishmaniasis
Authors: Tabrez Shams , Rahman Fazlur , Ali Rahat , Muhammad Fida , Alshehri Bader Mohammed , Alaidarous Mohammed A. , Banawas Saeed , Dukhyil Abdul Aziz Bin , Rub Abdur
Published: April 2021

Leishmaniasis is a vector‐borne disease caused by around 20 species of Leishmania. The main clinical forms of leishmaniasis are cutaneous leishmaniasis (CL) and visceral leishmaniasis (VL). VL is caused by Leishmania infantum in Central and South America, Mediterranean Basin, Middle East, and by L. donovani in Asia and Africa. Sterol C‐24 methyltransferase (LdSMT) of L. donovani is a transferase enzyme of the sterol biosynthesis pathway. This pathway is one of the major targets for drug developments in Leishmania. Due to insufficient evidence about the exact function of SMT inside the cell and the uniqueness of the SMT enzyme in the Leishmania parasites made it a significant target for an effective drug development approach. We performed virtual screening of the Food and Drug Administration (FDA)‐approved drug library against LdSMT and found simeprevir, an antiviral drug on top in the binding score. It showed a significant binding affinity with LdSMT. The binding was supported by hydrogen bonds and several other interactions. Simeprevir inhibited L. donovani growth of promastigotes with 50% inhibitory concentration (IC50) of 51.49 ± 5.87 μM. Further studies showed that simeprevir induced ROS generation in 44.7% of parasites at 125‐μM concentration. Here, we for the first time reported simeprevir as an antileishmanial lead molecule using a drug repurposing approach.
Left atrial structure and function of the amyloidogenic V122I transthyretin variant in elderly African Americans
Authors: Minamisawa Masatoshi , Inciardi Riccardo M. , Claggett Brian , Cuddy Sarah A.M. , Quarta Candida C. , Shah Amil M. , Dorbala Sharmila , Falk Rodney H. , Matsushita Kunihiro , Kitzman Dalane W. , Chen Lin Y. , Solomon Scott D.
Published: April 2021

Aims

African‐American carriers of the transthyretin (TTR) valine‐to‐isoleucine substitution (V122I) are at increased risk of heart failure, yet many have relatively subtle abnormalities of left ventricular (LV) function. We sought to explore the influence of this mutation on left atrial (LA) structure and function in this population.

Methods and results

We assessed 1225 genotyped African‐Americans (age range, 67–89 years) participating in the Atherosclerosis Risk in Communities study who underwent echocardiography and were in sinus rhythm at study Visit 5 (2011 to 2013). Six LA parameters [LA maximum/minimum volume index, ejection fraction, and LA reservoir, conduit, and contractile longitudinal strains (LS)] were compared between V122I TTR variant carriers (n = 46) and non‐carriers (n = 1179). LA minimum volume index was significantly greater and LA contractile LS was worse in carriers than non‐carriers (19.5 ± 10.6 mL/m2 vs. 16.3 ± 8.4 mL/m2; 15.0 ± 5.8% vs. 16.8 ± 5.7%, respectively, both P < 0.05). Carriers had a significantly higher number of LA abnormalities than non‐carriers (1.8 ± 2.2 vs. 1.1 ± 1.6, P = 0.009). The number of subjects with at least four LA abnormalities was significantly increased among carriers compared with non‐carriers (27% vs. 12%; odds ratio 2.43; 95% confidence interval 1.06–5.58 after adjusting for age, sex, body mass index, and LV wall thickness and global LS).

Conclusions

Left atrial enlargement and dysfunction were common in V122I TTR carriers with sinus rhythm than non‐carriers, suggesting that abnormalities of LA function may represent early markers of subclinical disease in these individuals.
JAK inhibitors: Ten years after
Authors: Spinelli Francesca Romana , Meylan Françoise , O'Shea John J. , Gadina Massimo
Published: April 2021

The European Journal of Immunology was launched 50 years ago, coinciding with the discovery of many cytokines and growth factors and the emergence of an entirely new field of research. Ultimately, our knowledge about the biological activity of these factors allowed us to better understand how the immune system functions in the context of inflammatory and autoimmune diseases leading to the development of targeted biologic therapies. The study of cytokine signal transduction led to the discovery of Janus kinases (JAK), and the consideration of therapeutically targeting JAKs to treat immune and inflammatory diseases. This year also marks the tenth anniversary of the approval of the first JAK inhibitor (jakinib) and now there are a total of nine approved jakinibs for treatment of rheumatologic, dermatologic, gastrointestinal, and neoplastic indications and most recently COVID‐19. Here, we summarized the discoveries that led to development of first‐generation jakinibs, discussed some of the newer, possibly more selective jakinibs, as well as jakinibs that also target other kinases. We also illustrated the rationale behind the application of these drugs in the treatment of COVID‐19 cytokine storm. In this review, we will discuss the clinical success of jakinibs, the gaps in our understanding of their biological activities as well as challenges in regard to their clinical application.
New Silver(I)‐P4 Coordination Polymers Strongly Adsorb Congo Red to Yield Composites with Enhanced Photocurrent Responses
Authors: Zhang Min , Feng Meng‐Yao , Yan Jia‐Jun , Li Hai‐Yan , Young David James , Li Hong‐Xi , Ren Zhi‐Gang
Published: April 2021

Reaction of tetraphosphine (P4) ligand dppbpda with Ag(I) oxylates yielded new coordination polymers (CPs) of formula [(dppbpda)Ag4(Ox)4]n (Ox=Bz (1), Sal (2), LA (3), Bz=benzoate, Sal=salicylate, LA=lactate). The solid‐state structures of 1–3 consist of one dimensional (1D) chains constructed from tetranuclear μ‐η2,η2‐ connected Ag4(Ox)4 cluster cores and dppbpda bridging ligands. Compounds 1–3 absorbed Congo Red in two distinct steps, with maximum uptake quantities of 1438 (1), 1417 (2) and 1656 (3) mg/g, inversely correlating with the size of the anions in the CPs. These CPs had band gaps in the semiconducting region (Eg) 3.05–3.15 eV and all three showed enhanced two‐peak photocurrent responses during the stepwise adsorption of CR, with maximum photocurrent densities of 227 (1), 163 (2) and 386 (3) μA cm−2 for composites with optimized dye coverage.
Location of Cu Atom in Au‐Based Nanocluster and Its Optical Properties
Authors: Ren Xiuqing , Fu Xuemei , Lin Xinzhang , Tang Jie , Wang He , Liu Chao , Huang Jiahui
Published: April 2021

Atomically precise alloy nanoclusters are one of the important nanomaterials, benefiting to investigate the structure‐property correlations at atomic level. Herein, we reported Au19Cu2(SR)15(SR: adamantanethiol) alloy nanocluster. The crystal structure of Cu−Au nanoclusters was determined by X‐ray crystallography and the molecular mass was further characterized via Fourier transform ion cyclotron resonance mass spectrometer (FT‐ICR‐MS). The crystal structure shows the kernel of bi‐octahedrons Au10capped by a Au6Cu2(SR)9motif, a Au2(SR)3motif, a Au(SR)2motif and one S atom. It was observed that two Au atoms in the longest Au6Cu2(SR)9motif were replaced with two Cu atoms. Moreover, we explored optical properties of Au19Cu2(SR)15by UV‐vis absorption spectroscopy and fluorescence spectroscopy. Alloy nanocluster exhibits a strong emission at 700 nm. This work provides insights into the synthesis and the enhanced properties of Au−Cu alloy nanoclusters.