bluuebunny/crossref_metadata_2025 huggingface dataset:
Copper‐Catalyzed Covalent Dimerization of Near‐Infrared Fluorescent Cyanine Dyes: Synergistic Enhancement of Photoacoustic Signals for Molecular Imaging of Tumors
Authors: Maji Dolonchampa , Oh Donghyeon , Sharmah Gautam Krishna , Zhou Mingzhou , Zhang Haini , Kao Jeff , Giblin Daryl , Smith Matthew , Lim Junha , Lee Seunghyun , Kang Youngnam , Kim Won Jong , Kim Chulhong , Achilefu Samuel
Published: October 2021

Photoacoustic (PA) imaging relies on the absorption of light by chromophores to generate acoustic waves used to delineate tissue structures and physiology. Here, we demonstrate that Cu(II) efficiently catalyzes the dimerization of diverse near‐infrared (NIR) cyanine molecules, including a peptide conjugate. NMR spectroscopy revealed a C−C covalent bond along the heptamethine chains, creating stable molecules under conditions such as a wide range of solvents and pH mediums. Dimerization achieved >90 % fluorescence quenching, enhanced photostability, and increased PA signals by a factor of about 4 at equimolar concentrations compared to the monomers. In vivo study with a mouse cancer model revealed that dimerization enhanced tumor retention and PA signal, allowing cancer detection at doses where the monomers are less effective. While the dye dimers highlighted peritumoral blood vessels, the PA signal for dimeric tumor‐targeting dye‐peptide conjugate, LS301, was diffuse throughout the entire tumor mass. A combination of the ease of synthesis, diversity of molecules that are amenable to Cu(II)‐catalyzed dimerization, and the high acoustic wave amplification by these stable dimeric small molecules ushers a new strategy to develop clinically translatable PA molecular amplifiers for the emerging field of molecular photoacoustic imaging.
Predicting aquatic invasions in a megadiverse region: Maximum‐entropy‐based modelling of six alien fish species in Malaysia
Authors: Vythalingam Lavanya Malini , Raghavan Rajeev , Hossain Motalib , Bhassu Subha
Published: October 2021

There has been a recent increase in the occurrence and proliferation of alien fish species in rivers, lakes, and reservoirs of Malaysia, posing a significant risk to native biodiversity. This increase has been largely caused by the unmanaged aquaculture and aquarium pet trade.

At present, very little information is available on the diversity and distribution of alien fish species in freshwater ecosystems of Malaysia, as well as their current and future threats.

Using the MaxEnt model, the potential habitat suitability and future invasion ranges of six alien fish species (Cichla ocellaris, Clarias gariepinus, Oreochromis mossambicus, Oreochromis niloticus, Poecilia reticulata, and Pterygoplichthys pardalis) in Peninsular and East Malaysia (Borneo) were determined.

All six alien fish species investigated, have high potential to invade eight states in Peninsular Malaysia (Johor, Kelantan, Malacca, Negeri Sembilan, Pahang, Perak, Selangor, and Terengganu), and much of East Malaysia. The results also indicate that alien fish are likely to invade the majority of the 444 protected areas in the country, particularly those located in Sabah and Sarawak, which are known for their high fish diversity and endemism.

Minimum temperature of the coldest month (Bio 6) and isothermality (Bio 3) significantly influence potential invasion habitats for all six alien fish species in Malaysia. The country's hot and humid climate makes it ideal for the survival and proliferation of alien species except for P. pardalis.

These findings will help conservation planners and managers in identifying areas of high concern for alien freshwater fish species in Malaysia, and to pre‐emptively mitigate and manage their future invasion.
Tailoring the Pore Size, Basicity, and Binding Energy of Mesoporous C3N5 for CO2 Capture and Conversion
Authors: Kim Sungho , Singh Gurwinder , Sathish CI , Panigrahi Puspamitra , Daiyan Rahman , Lu Xunyu , Sugi Yoshihiro , Kim In Young , Vinu Ajayan
Published: October 2021

We investigated the CO2 adsorption and electrochemical conversion behavior of triazole‐based C3N5 nanorods as a single matrix for consecutive CO2 capture and conversion. The pore size, basicity, and binding energy were tailored to identify critical factors for consecutive CO2 capture and conversion over carbon nitrides. Temperature‐programmed desorption (TPD) analysis of CO2 demonstrates that triazole‐based C3N5 shows higher basicity and stronger CO2 binding energy than g‐C3N4. Triazole‐based C3N5 nanorods with 6.1 nm mesopore channels exhibit better CO2 adsorption than nanorods with 3.5 and 5.4 nm mesopore channels. C3N5 nanorods with wider mesopore channels are effective in increasing the current density as an electrocatalyst during the CO2 reduction reaction. Triazole‐based C3N5 nanorods with tailored pore sizes exhibit CO2 adsorption abilities of 5.6–9.1 mmol/g at 0 °C and 30 bar. Their Faraday efficiencies for reducing CO2 to CO are 14–38% at a potential of −0.8 V vs. RHE.
Improved operational reliability and contaminant removal in water reuse through filter upgrades
Authors: Stanford Benjamin D. , Arrington D. Albrey , Raseman William J. , Becker William C.
Published: October 2021

A redesign, construction, and replacement of the filters used for water reuse at a 11 million gallon per day Florida municipal water reclamation facility provided a prime opportunity to evaluate the impact of the filtration technologies on water quality, trace organic contaminant (TOrC) removal, and removal of pathogens. This study was designed to capture operational data, pathogen removal (Cryptosporidium and Giardia), and TOrC removal before the replacement of the filters using the existing synthetic media filters (SMF) and traveling bridge filters (TBF) followed by an evaluation of the deep bed filters (DBF) after construction and commissioning. The new DBF units provided substantially improved control of turbidity and total suspended solids while also significantly improving the removal of Giardia cysts (increase of >2 log removal) as compared to removal across the older SMF and TBF units and minor improvements to Cryptosporidium oocyst removal. TOrC removal was not significantly changed when comparing removal across the SMF, TBF, and DBF units nor post chlorination (chloramination).

Article Impact Statement

This manuscript will be of use to the community as it provides additional understanding of public health protection in water reuse.
Biochanin‐A has antidiabetic, antihyperlipidemic, antioxidant, and protective effects on diabetic nephropathy via suppression of TGF‐β1 and PAR‐2 genes expression in kidney tissues of STZ‐induced diabetic rats
Authors: Amri Jamal , Alaee Mona , Babaei Rasool , Salemi Zahra , Meshkani Reza , Ghazavi Ali , Akbari Ahmad , Salehi Mehdi
Published: October 2021

One of the major complications of diabetes is diabetic nephropathy, and often many patients suffer from diabetic nephropathy. That is why it is important to find the mechanisms that cause nephropathy and its treatment. This study was designed to examine the antidiabetic effects of biochanin A (BCA) and evaluate its effects on oxidative stress markers and the expression of transforming growth factor‐β1 (TGF‐β1) and protease‐activated receptors‐2 (PAR‐2) genes in the kidney of type 1 diabetic rats. After induction of diabetes using streptozotocin (STZ), 55 mg/kg bw dose, rats were randomly divided into four groups with six rats in each group as follows: normal group: normal control receiving normal saline and a single dose of citrate buffer daily; diabetic control group: diabetic control receiving 0.5% dimethyl sulfoxide daily; diabetic+BCA (10 mg/kg) group: diabetic rats receiving biochanin A at a dose of 10 mg/kg bw daily; diabetic+BCA (15 mg/kg) group: diabetic rats receiving biochanin A at a dose of 15 mg/kg bw daily. TGF‐β1 and PAR‐2 gene expression was assessed by real‐time. Spectrophotometric methods were used to measure biochemical factors: fast blood glucose (FBG), urea, creatinine, albumin, lipids profiles malondialdehyde (MDA), and superoxide dismutase (SOD). The course of treatment in this study was 42 days. The results showed that in the diabetic control group, FBG, serum urea, creatinine, expression of TGF‐β1 and PAR‐2 genes, and the levels of MDA in kidney tissue significantly increased and SOD activity in kidney tissue and serum albumin significantly decreased compared to the normal group (p < 0.001). The results showed that administration of biochanin A (10 and 15 mg/kg) after 42 days significantly reduced the expression of TGF‐β1 and PAR‐2 genes and FBG, urea, creatinine in serum compared to the diabetic control group (p < 0.001), also significantly increased serum albumin compared to the diabetic control group (p < 0.001). The level of MDA and SOD activity in the tissues of diabetic rats that used biochanin A (10 and 15 mg/kg) was significantly reduced and increased, respectively, compared to the diabetic control group (p < 0.001). Also, the result showed that in the diabetic control group lipids profiles significantly is disturbed compared to the normal group (p < 0.001), the results also showed that biochanin A (10 and 15 mg/kg) administration could significantly improved the lipids profile compared to the control diabetic group (p < 0.001). It is noteworthy that it was found that the beneficial effects of the biochanin A were dose dependent. In conclusion, administration of biochanin A for 42 days has beneficial effect and improves diabetes and nephropathy in diabetic rats. So probably biochanin A can be used as an adjunct therapy in the treatment of diabetes.
The US bioeconomy at the intersection of technology, policy, and education
Authors: Pascoli Danielle U , Aui Alvina , Frank Jenny , Therasme Obste , Dixon Kerry , Gustafson Rick , Kelly Brendan , Volk Timothy A , Wright Mark M
Published: October 2021

The bioeconomy is a complex, multivariate, and interdisciplinary system that requires a comprehensive assessment of its independent parts if it is to be understood fully. Hence, this article presents a holistic perspective of industry, public policy, and education aspects of the US bioeconomy. It is premised on the idea that a successful bioeconomy industry relies on the balanced development of all stages of the supply chain. For this balance to be struck, a strong interdisciplinary workforce must find novel solutions to multifaceted problems across the entirety of the supply chain. These solutions require innovative technologies that can improve the climate benefit of bioproducts, decrease their production costs, and make them more economically competitive. Increasing consumer education and awareness about the bioeconomy goes hand in hand with the development of a robust market for bioproducts. To guide these interdependent efforts, public policies must encourage demand, support competitive markets, promote the entry of renewable options, and stimulate growth by reducing financial barriers. We contend that a combination of policies is likely to be more effective than any singular policy on its own. Supporting the bioeconomy also entails attending to an existing lack of public awareness as well as workforce‐ready professionals. To address these gaps, the USA must increase the intensity and intentionality of its efforts to educate students about the bioeconomy, particularly at the K‐12 level. Furthermore, these efforts should encompass both formal and informal learning contexts in order to meet the workforce challenges facing the bioeconomy now and in the future. © 2021 The Authors. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.
Improvement of the performance of anticancer peptides using a drug repositioning pipeline
Authors: Mohammadi Elyas , Tahmoorespur Mojtaba , Benfeitas Rui , Altay Ozlem , Javadmanesh Ali , Lam Simon , Mardinoglu Adil , Sekhavati Mohammad Hadi
Published: October 2021

The use of anticancer peptides (ACPs) as an alternative/complementary strategy to conventional chemotherapy treatments has been shown to decrease drug resistance and/or severe side effects. However, the efficacy of the positively‐charged ACP is inhibited by elevated levels of negatively‐charged cell‐surface components which trap the peptides and prevent their contact with the cell membrane. Consequently, this decreases ACP‐mediated membrane pore formation and cell lysis. Negatively‐charged heparan sulphate (HS) and chondroitin sulphate (CS) have been shown to inhibit the cytotoxic effect of ACPs.

In this study, we propose a strategy to promote the broad utilization of ACPs. In this context, we developed a drug repositioning pipeline to analyse transcriptomics data generated for four different cancer cell lines (A549, HEPG2, HT29, and MCF7) treated with hundreds of drugs in the LINCS L1000 project. Based on previous studies identifying genes modulating levels of the glycosaminoglycans (GAGs) HS and CS at the cell surface, our analysis aimed at identifying drugs inhibiting genes correlated with high HS and CS levels. As a result, we identified six chemicals as likely repositionable drugs with the potential to enhance the performance of ACPs. The codes in R and Python programming languages are publicly available inhttps://github.com/ElyasMo/ACPs_HS_HSPGs_CS.

As a conclusion, these six drugs are highlighted as excellent targets for synergistic studies with ACPs aimed at lowering the costs associated with ACP‐treatment.
Development of an E. coli strain for cell‐free ADC manufacturing
Authors: Groff Dan , Carlos Nina A. , Chen Rishard , Hanson Jeffrey A. , Liang Shengwen , Armstrong Stephanie , Li Xiaofan , Zhou Sihong , Steiner Alex , Hallam Trevor J. , Yin Gang
Published: October 2021

Recent advances in cell‐free protein synthesis have enabled the folding and assembly of full‐length antibodies at high titers with extracts from prokaryotic cells. Coupled with the facile engineering of the Escherichia coli translation machinery, E. coli based in vitro protein synthesis reactions have emerged as a leading source of IgG molecules with nonnatural amino acids incorporated at specific locations for producing homogeneous antibody–drug conjugates (ADCs). While this has been demonstrated with extract produced in batch fermentation mode, continuous extract fermentation would facilitate supplying material for large‐scale manufacturing of protein therapeutics. To accomplish this, the IgG‐folding chaperones DsbC and FkpA, and orthogonal tRNA for nonnatural amino acid production were integrated onto the chromosome with high strength constitutive promoters. This enabled co‐expression of all three factors at a consistently high level in the extract strain for the duration of a 5‐day continuous fermentation. Cell‐free protein synthesis reactions with extract produced from cells grown continuously yielded titers of IgG containing nonnatural amino acids above those from extract produced in batch fermentations. In addition, the quality of the synthesized IgGs and the potency of ADC produced with continuously fermented extract were indistinguishable from those produced with the batch extract. These experiments demonstrate that continuous fermentation of E. coli to produce extract for cell‐free protein synthesis is feasible and helps unlock the potential for cell‐free protein synthesis as a platform for biopharmaceutical production.
Development of surface‐enhanced Raman scattering‐based immunoassay platforms using hollow Au nanostars for reliable SARS‐CoV‐2 diagnosis
Authors: Yu Qian , Wu Yixuan , Kang Taejoon , Choo Jaebum
Published: October 2021

We developed a novel surface‐enhanced Raman scattering (SERS)‐based SARS‐CoV‐2 assay platform using hollow Au nanostars to realize high‐sensitivity diagnosis of SARS‐CoV‐2. The assay was performed using SARS‐CoV‐2 lysate as the target in a wide dynamic range with virus concentrations ranging from 0 to 104 PFU/ml and has a limit of detection (LOD) of 5.1 PFU/ml. This LOD value shows 100 times and 10 times better sensitivity compared to the LODs measured on the same sample using a commercially available rapid kit and enzyme‐linked immunosorbent assay, respectively. Therefore, we believe that this SERS‐based SARS‐CoV‐2 assay platform has high diagnostic accuracy for early or asymptomatic infected patients with low virus concentrations. Furthermore, the probability of a false‐negative diagnosis is likely to be very low.
Understand how to comply with NCAA campus sexual violence policy
Authors: O'Brien Timothy
Published: October 2021

The NCAA has continued to enhance its approach to preventing and addressing sexual violence since 2010. In support of that effort, the NCAA initially provided and later updated a comprehensive toolkit with suggested actions for member institutions to help guide them in developing and implementing effective practices, procedures, and education on the subject. (See https://ncaaorg.s3.amazonaws.com/ssi/violence/SSI_SexualViolencePreventionToolkit.pdf.)
Discover how to find balance, foster productivity, and avoid burnout in your work
Authors: McGee Laura G.
Published: October 2021

There are good reasons to manage yourself and your work effectively. If your head is buried in administrivia, you won't have time to develop professional relationships, continue your learning and productivity, and practice self‐care.
Sports entrepreneurship expert offers practical guidance, addresses frequently asked questions about NIL
Authors: McCarthy Claudine
Published: October 2021

At this point, there seems to be more unanswered than answered questions about so many areas of the name,  image, and likeness realm. To help college athletics administrators get a better handle on some of the most confusing, unclear, and commonly misunderstood aspects of NIL, we consulted with Bill Carter, Founder of the consulting firm Student‐Athlete Insights, and Sports Entrepreneurship Lecturer at the University of Vermont. His responses to the following questions have been edited for space and clarity.
Did court dismiss female football player's Title IX claim?
Authors: Lyerly Eric
Published: October 2021

A female student at Allegheny College contacted the head coach of the men's football team in January 2018 to express her interest in joining the squad. The student signed the NCAA handbook and began participating in the men's football team winter workouts.
Volatile Nitrogenous Compounds from Bacteria: Source of Novel Bioactive Compounds
Authors: Valença Camilla A. S. , Barbosa Ana A. T. , Souto Eliana B. , Caramão Elina B. , Jain Sona
Published: October 2021

Bacteria can produce nitrogenous compounds via both primary and secondary metabolic processes. Many bacterial volatile nitrogenous compounds produced during the secondary metabolism have been identified and reported for their antioxidant, antibacterial, antifungal, algicidal and antitumor activities. The production of these nitrogenous compounds depends on several factors, including the composition of culture media, growth conditions, and even the organic solvent used for their extraction, thus requiring their identification in specific conditions. In this review, we describe the volatile nitrogenous compounds produced by bacteria especially focusing on their antimicrobial activity. We concentrate on azo‐compounds mainly pyrazines and pyrrolo‐pyridines reported for their activity against several microorganisms. Whenever significant, extraction and identification methods of these compounds are also mentioned and discussed. To the best of our knowledge, this is first review describing volatile nitrogenous compounds from bacteria focusing on their biological activity.
Ultrahigh‐Throughput Detection of Enzymatic Alcohol Dehydrogenase Activity in Microfluidic Droplets with a Direct Fluorogenic Assay
Authors: Klaus Miriam , Zurek Paul Jannis , Kaminski Tomasz S. , Pushpanath Ahir , Neufeld Katharina , Hollfelder Florian
Published: October 2021

The exploration of large DNA libraries of metagenomic or synthetic origin is greatly facilitated by ultrahigh‐throughput assays that use monodisperse water‐in‐oil emulsion droplets as sequestered reaction compartments. Millions of samples can be generated and analysed in microfluidic devices at kHz speeds, requiring only micrograms of reagents. The scope of this powerful platform for the discovery of new sequence space is, however, hampered by the limited availability of assay substrates, restricting the functions and reaction types that can be investigated. Here, we broaden the scope of detectable biochemical transformations in droplet microfluidics by introducing the first fluorogenic assay for alcohol dehydrogenases (ADHs) in this format. We have synthesized substrates that release a pyranine fluorophore (8‐hydroxy‐1,3,6‐pyrenetrisulfonic acid, HPTS) when enzymatic turnover occurs. Pyranine is well retained in droplets for >6 weeks (i. e. 14‐times longer than fluorescein), avoiding product leakage and ensuring excellent assay sensitivity. Product concentrations as low as 100 nM were successfully detected, corresponding to less than one turnover per enzyme molecule on average. The potential of our substrate design was demonstrated by efficient recovery of a bona fide ADH with an >800‐fold enrichment. The repertoire of droplet screening is enlarged by this sensitive and direct fluorogenic assay to identify dehydrogenases for biocatalytic applications.
A ruptured cornual pregnancy successfully managed in a patient with a history of oophorectomy and salpingectomy: A rare case report
Authors: Mansour Marah , Hamza Amr , AlMarzook AlHomam , kanbour Ilda moafak , Alsuliman Tamim , kurdi Bashar
Published: October 2021

Cornual pregnancy is a rare condition that accounts for approximately 2–4% of ectopic pregnancies worldwide. Herein, we report an unstable case of a 32‐year‐old woman with a history of oophorectomy and salpingectomy who was admitted for a ruptured cornual pregnancy in the left cornu, which was successfully managed by laparotomy.
Case series: Reinfection of recovered SARS CoV‐2 patients for the third time
Authors: Hasanzadeh Sepideh , Shariatmaghani Somayeh Sadat , Vakilian Atefeh , Javan Alireza , Rahmani Mahsa , Ganjloo Sara , Jangi Mahbubeh , Amel Jamehdar Saeid
Published: October 2021

This set of cases provides important evidence of re‐infection and recurrence of SARS‐CoV‐2 even for the third time. Consequently, this possibility should be considered more in recurrent patients with Covid‐19 symptoms.
Early Physical Organic Chemistry: Nikolai Aleksandrovich Menshutkin (1842–1907) and Reaction Velocities
Authors: Lewis David E.
Published: October 2021

The name of Menshutkin is most frequently associated with his eponymous reaction (the quaternization of tertiary amines with alkyl halides). However, he made encyclopedic contributions to the field of reaction kinetics, where he carried out extensive studies of the effects of reactant structure on the rates of esterification of monohydric, dihydric and trihydric alcohols with monocarboxylic acids, and monobasic and dibasic carboxylic acids and anhydrides with monohydric alcohols. In these studies, he deduced an order of reactivity of alcohols in esterification on the basis of their reactions with acetic acid, and the effects of acid structure on the rates of esterification based on the reaction of the carboxylic acid with isobutyl alcohol. When his attention later turned to the substitution chemistry of amines, he defined the parameters that affected their reactions: anilines were less reactive than alkylamines, secondary more reactive than primary amines, and the reaction was accelerated by replacing benzene as a solvent with alcohols. The wide‐ranging work of Menshutkin, the physical organic chemist, is discussed.
On‐Surface Formation of Cyano‐Vinylene Linked Chains by Knoevenagel Condensation
Authors: Au‐Yeung Kwan Ho , Kühne Tim , Becker Daniel , Richter Marcus , Ryndyk Dmitry A. , Cuniberti Gianaurelio , Heine Thomas , Feng Xinliang , Moresco Francesca
Published: October 2021

The rapid development of on‐surface synthesis provides a unique approach toward the formation of carbon‐based nanostructures with designed properties. Herein, we present the on‐surface formation of CN‐substituted phenylene vinylene chains on the Au(111) surface, thermally induced by annealing the substrate stepwise at temperatures between 220 °C and 240 °C. The reaction is investigated by scanning tunneling microscopy and density functional theory. Supported by the calculated reaction pathway, we assign the observed chain formation to a Knoevenagel condensation between an aldehyde and a methylene nitrile substituent.
A Copper(I)‐Catalyzed Sulfonylative Hiyama Cross‐Coupling
Authors: Adenot Aurélien , Anthore‐Dalion Lucile , Nicolas Emmanuel , Berthet Jean‐Claude , Thuéry Pierre , Cantat Thibault
Published: October 2021

An air‐tolerant Cu‐catalyzed sulfonylative Hiyama cross‐coupling reaction enabling the formation of diaryl sulfones is described. Starting from aryl silanes, DABSO and aryliodides, the reaction tolerates a large variety of polar functional groups (amines, ketones, esters, aldehydes). Control experiments coupled with DFT calculations shed light on the mechanism, characterized by the formation of a Cu(I)‐sulfinate intermediate via fast insertion of a SO2 molecule.
Flooding Prevention in Distillation and Extraction Columns with Aid of Machine Learning Approaches
Authors: Oeing Jonas , Neuendorf Laura Maria , Bittorf Lukas , Krieger Waldemar , Kockmann Norbert
Published: October 2021

Flooding of separation columns is a severe limitation in the operation of distillation and liquid‐liquid extraction columns. To observe operation conditions, machine learning algorithms are implemented to recognize the flooding behavior of separation columns on laboratory scale. Besides this, the investigated columns already provided the modular automation interface Module Type Package (MTP), which is used for data access of necessary sensor data. Hence, artificial intelligence (AI) tools with deep learning offer high potential for the process industry and allow to capture operating states that are otherwise difficult to detect or model. However, the advanced methods are only hesitantly applied in practice due to complex combination of operational sensing, data analysis, and active control of the equipment. This article provides an overview on how AI‐based algorithms can be implemented in existing laboratory plants. Process sensor data as well as image data are used to model the flooding behavior of distillation and extraction columns for stable and robust operational conditions.
Metagenomics and chemotherapy‐induced nausea: A roadmap for future research
Authors: Crowder Sylvia L. , Hoogland Aasha I. , Welniak Taylor L. , LaFranchise Elizabeth A. , Carpenter Kristen M. , Li Daneng , Rotroff Daniel M. , Mariam Arshiya , Pierce Christine M. , Fischer Stacy M. , Kinney Anita Y. , Dong‐Binh Tran Thi , Rastegari Farzaneh , Berry Donna L. , Extermann Martine , Kim Richard D. , Tometich Danielle B. , Figueiredo Jane C. , Muzaffar Jameel , Bari Shahla , Turner Kea , Weinstock George M. , Jim Heather S. L.
Published: October 2021

Uncontrolled chemotherapy‐induced nausea and vomiting can reduce patients' quality of life and may result in premature discontinuation of chemotherapy. Although nausea and vomiting are commonly grouped together, research has shown that antiemetics are clinically effective against chemotherapy‐induced vomiting (CIV) but less so against chemotherapy‐induced nausea (CIN). Nausea remains a problem for up to 68% of patients who are prescribed guideline‐consistent antiemetics. Despite the high prevalence of CIN, relatively little is known regarding its etiology independent of CIV. This review summarizes a metagenomics approach to the study and treatment of CIN with the goal of encouraging future research. Metagenomics focuses on genetic risk factors and encompasses both human (ie, host) and gut microbial genetic variation. Little work to date has focused on metagenomics as a putative biological mechanism of CIN. Metagenomics has the potential to be a powerful tool in advancing scientific understanding of CIN by identifying new biological pathways and intervention targets. The investigation of metagenomics in the context of well‐established demographic, clinical, and patient‐reported risk factors may help to identify patients at risk and facilitate the prevention and management of CIN.
Primary hypothyroidism in childhood cancer survivors: Prevalence, risk factors, and long‐term consequences
Authors: Chemaitilly Wassim , Li Zhenghong , Brinkman Tara M. , Delaney Angela , Huang Sujuan , Bjornard Kari L. , Lam Catherine G. , Wilson Carmen L. , Barnes Nicole , Clark Karen L. , Krasin Matthew J. , Metzger Monika L. , Sheyn Anthony , Bishop Michael W. , Sabin Noah D. , Howell Rebecca M. , Helmig Sara , Shulkin Barry L. , Triplett Brandon M. , Pui Ching‐Hong , Gajjar Amar , Srivastava Deo Kumar , Green Daniel M. , Armstrong Gregory T. , Robison Leslie L. , Hudson Melissa M. , Ness Kristen K. , Sklar Charles A. , Krull Kevin R.
Published: October 2021

Background

Data on primary hypothyroidism and its long‐term impact on the health, cognition, and quality of life (QOL) of childhood cancer survivors are limited. This study examined the prevalence of and risk factors for primary hypothyroidism and its associations with physical, neurocognitive, and psychosocial outcomes.

Methods

This was a retrospective study with a cross‐sectional health outcome analysis of an established cohort comprising 2965 survivors of childhood cancer (52.8% male; median current age, 30.9 years, median time since cancer diagnosis, 22.3 years). Multivariable logistic regression estimated odds ratios (ORs) and 95% confidence intervals (CIs) for associations between primary hypothyroidism and cancer‐related risk factors, cardiovascular disease risk factors, frailty, neurocognitive and QOL outcomes, social attainment, and subsequent thyroid carcinoma. Associations between serum free thyroxine and thyrotropin levels at assessment and health outcomes were explored.

Results

The prevalence of primary hypothyroidism was 14.7% (95% CI, 13.5%‐16.0%). It was more likely in females (OR, 1.06; 95% CI, 1.03‐1.08), was less likely in non‐Whites (OR, 0.96; 95% CI, 0.93‐0.99), was associated with thyroid radiotherapy (higher risk at higher doses), and was more common if cancer was diagnosed at an age ≥ 15.0 years versus an age < 5 years (OR, 1.05; 95% CI, 1.01‐1.09). Primary hypothyroidism was associated with frailty (OR, 1.54; 95% CI, 1.05‐2.26), dyslipidemia (OR, 1.52; 95% CI, 1.14‐2.04), impaired physical QOL (OR, 1.66; 95% CI, 1.12‐2.48), and having health care insurance (OR, 1.51; 95% CI, 1.07‐2.12).

Conclusions

Primary hypothyroidism is common in survivors and is associated with unfavorable physical health and QOL outcomes. The impact of thyroid hormone replacement practices on these outcomes should be investigated further.
Late health outcomes after dexrazoxane treatment: A report from the Children's Oncology Group
Authors: Chow Eric J. , Aplenc Richard , Vrooman Lynda M. , Doody David R. , Huang Yuan‐Shung V. , Aggarwal Sanjeev , Armenian Saro H. , Baker K. Scott , Bhatia Smita , Constine Louis S. , Freyer David R. , Kopp Lisa M. , Leisenring Wendy M. , Asselin Barbara L. , Schwartz Cindy L. , Lipshultz Steven E.
Published: October 2021

Background

The objective of this study was to examine long‐term outcomes among children newly diagnosed with cancer who were treated in dexrazoxane‐containing clinical trials.

Methods

P9404 (acute lymphoblastic leukemia/lymphoma [ALL]), P9425 and P9426 (Hodgkin lymphoma), P9754 (osteosarcoma), and Dana‐Farber Cancer Institute 95‐01 (ALL) enrolled 1308 patients between 1996 and 2001: 1066 were randomized (1:1) to doxorubicin with or without dexrazoxane, and 242 (from P9754) were nonrandomly assigned to receive dexrazoxane. Trial data were linked with the National Death Index, the Organ Procurement and Transplantation Network, the Pediatric Health Information System (PHIS), and Medicaid. Osteosarcoma survivors from the Childhood Cancer Survivor Study (CCSS; n = 495; no dexrazoxane) served as comparators in subanalyses. Follow‐up events were assessed with cumulative incidence, Cox regression, and Fine‐Gray methods.

Results

In randomized trials (cumulative prescribed doxorubicin dose, 100‐360 mg/m2; median follow‐up, 18.6 years), dexrazoxane was not associated with relapse (hazard ratio [HR], 0.84; 95% confidence interval [CI], 0.63‐1.13), second cancers (HR, 1.19; 95% CI, 0.62‐2.30), all‐cause mortality (HR, 1.07; 95% CI, 0.78‐1.47), or cardiovascular mortality (HR, 1.45; 95% CI, 0.41‐5.16). Among P9754 patients (all exposed to dexrazoxane; cumulative doxorubicin, 450‐600 mg/m2; median follow‐up, 16.6‐18.4 years), no cardiovascular deaths or heart transplantation occurred. The 20‐year heart transplantation rate among CCSS osteosarcoma survivors (mean doxorubicin, 377 ± 145 mg/m2) was 1.6% (vs 0% in P9754; P = .13). Among randomized patients, serious cardiovascular outcomes (cardiomyopathy, ischemic heart disease, and stroke) ascertained by PHIS/Medicaid occurred less commonly with dexrazoxane (5.6%) than without it (17.6%; P = .02), although cardiomyopathy rates alone did not differ (4.4% vs 8.1%; P = .35).

Conclusions

Dexrazoxane did not appear to adversely affect long‐term mortality, event‐free survival, or second cancer risk.
NTRK‐rearranged papillary thyroid carcinoma demonstrates frequent subtle nuclear features and indeterminate cytologic diagnoses
Authors: Lee Yu‐Cheng , Hsu Chih‐Yi , Lai Chiung‐Ru , Hang Jen‐Fan
Published: October 2021

Background

The studies on the cytomorphologic features of NTRK‐rearranged papillary thyroid carcinoma (PTC) are limited and some reported characteristics, such as frequent indeterminate diagnoses and presence of fibrotic fragments, are inconsistent in literature.

Methods

NTRK gene rearrangements were detected in thyroidectomy specimens of PTC by either fluorescence in situ hybridization or next‐generation sequencing. All the cytologic slides of NTRK‐rearranged PTC were reviewed to evaluate the cytomorphologic features. The preoperative cytologic diagnoses of NTRK‐rearranged PTC were compared with those of NTRK/BRAF wild‐type and BRAFV600E‐positive PTC.

Results

Fourteen PTC cases were identified to harbor NTRK gene rearrangements. Most of them showed a mixed architectural pattern of cell fragments (n = 13, 92.9%) and microfollicles (n = 9, 64.3%) with relatively rare papillary structures (n = 4, 28.6%). Nuclear grooving was frequently present (n = 11, 78.6%) but was mostly subtle and limited. Seven cases (50.0%) showed rounded nuclei without discernible nuclear elongation, and only 3 (21.4%) cases presented with nuclear pseudoinclusions. Among these cases, 7 (50.0%) were diagnosed as The Bethesda System for Reporting Thyroid Cytopathology (TBS) category III, 2 (14.3%) were diagnosed as TBS IV, and 5 (35.7%) were diagnosed as TBS V. The rate of TBS III‐IV diagnoses for NTRK‐rearranged PTCs was significantly higher (64.3%) than that for the 25 consecutive NTRK/BRAF wild‐type PTCs (20.0%, P = .013) and the 70 consecutive BRAFV600E‐positive PTCs (7.1%, P < .001) as selected.

Conclusions

NTRK‐rearranged PTC demonstrated intermediate nuclear features, such as subtle nuclear grooving, infrequent nuclear elongation, and rare pseudoinclusions, resulting in a significantly higher rate of TBS III‐IV diagnoses compared to PTC with other molecular alterations.
First‐Principles Calculations of Electronic Structure and Optical Properties of Si‐Doped and Vacancy β‐Ga2O3
Authors: Liu Jifei , Gao Shanshan , Li Weixue , Dai Jianfeng , Suo Zhongqiang , Suo Zhengting
Published: October 2021

The electronic structure and optical properties of Si‐doped β‐Ga2O3 with vacancy are studied using the generalized gradient approximation plus the Hubbard term. The results show that the most easily formed are doping systems, followed by the doped with vacancy systems, and the vacancy systems. The conductivity of β‐Ga2O3 is enhanced significantly after being doped with Si, but its absorptivity decreased. The defect levels generated by the vacancy system can enhance the light absorption capability, especially O vacancy system. The doped with vacancy system may improve the conductivity and absorptivity in the visible range of the β‐Ga2O3.
Visualization of Solid‐State Synthesis for Chalcogenide Na Superionic Conductors by in‐situ Neutron Diffraction
Authors: Halacoglu Selim , Chertmanova Sabina , Chen Yan , Li Yang , Rajapakse Manthila , Sumanasekera Gamini , Narayanan Badri , Wang Hui
Published: October 2021

Chalcogenide superionic sodium (Na) conductors have great potential as solid electrolytes (SEs) in all‐solid‐state Na batteries with advantages of high energy density, safety, and cost effectiveness. The crystal structures and ionically conductive properties of solid Na‐ion conductors are strongly influenced by synthetic approaches and processing parameters. Thus, understanding the synthesis process is essential to control the structures and phases and to obtain Na‐ion conductors with desirable properties. Thanks to the high‐flux and deep‐penetrating time‐of‐flight neutron diffraction (ND), in‐situ experiments were able to track real‐time structural changes of two chalcogenide SEs (Na3SbS4 and Na3SbS3.5Se0.5) during the solid‐state synthesis. For these two conductors, the ND results revealed a fast one‐step reaction for the synthesis and the molten process when heating up, and the recrystallization as well as the cubic‐to‐tetragonal phase transition up on cooling. Moreover, Se‐doping was found to influence the reaction temperatures, lattice parameter, and structure stability based on neutron experimental observations and theoretical simulation. This work presents a detailed structural study using in‐situ ND technology for the solid synthesis process of chalcogenide Na‐ion conductors, beneficial for the design and synthesis of new solid‐state conductors.
Promoting Electrocatalytic Oxygen Evolution of Ultrasmall NiFe (Hydr)oxide Nanoparticles by Graphene‐Support Effects
Authors: Liu Shuang , Cao Erping , Chen Zhimin , Wu Hao , Liu Bowen , Yang Jing , Du Shichao , Ren Zhiyu
Published: October 2021

Although the activity of electrocatalysts towards oxygen evolution reaction (OER) has achieved considerable improvement by modulating the intrinsic electron structure, the role of supports to OER performance, often being reduced to enhancing the conductivity, is not fully explored. In this paper, a proof‐of‐concept study based on a series of hybrids of nickel iron (hydr)oxide nanoparticles (NiFeO NPs) and carbon supports with different oxidation level compared the motivation of supports for OER activity. The key to implementation lay in anchoring and growing of NiFeO NPs on the various carbon supports by electrostatic assembly and subsequent in‐situ reduction. A series of experiments indicated that the strong coupling of metal ions and graphene oxide (GO) contributed to the formation of ultrasmall NiFeO NPs (≈2 nm) and the firm interaction between NiFeO NPs and GO, which in turn resulted in exposing more metal atoms, modulating local electron structure of active sites, and accelerating the charge‐transfer ability. The OER activity of optimal NiFeO NPs anchored on rGO (NiFeO NPs/rGO) was significantly elevated, achieving an overpotential as small as 201 mV at 10 mA cm−2 and a low Tafel slope of 68 mV dec−1, as well as remarkable stability. Such exciting capacity for catalyzing OER prevailed over the vast majority of previously reported transition‐metal electrocatalysts, even superior to numerous noble metal‐containing catalysts. The electrolyzer employing NiFeO NPs/rGO and commercial Pt/C for anode and cathode could be powered by a solar cell for efficient alkaline seawater splitting. This work opens up a universal and scalable way for further advancing the intrinsic activity of energy‐related materials.
A greener future for the Galapagos: forecasting ecosystem productivity by finding climate analogs in time
Authors: Charney Noah D. , Bastille‐Rousseau Guillaume , Yackulic Charles B. , Blake Stephen , Gibbs James P.
Published: October 2021

Forecasting ecosystem response to climate change is critical for guiding policymaking but challenging due to: complicated relationships between microclimates and regional climates; species’ responses that are driven by extremes rather than averages; the multifaceted nature of species’ interactions; and the lack of historical analogs to future climates. Given these challenges, even model systems such as the Galapagos Islands, a world‐famous biodiversity hotspot and World Heritage Site, lack clear forecasts for future environmental change. Here, we developed a novel nonparametric method for simulating the ecosystem futures based on observed vegetation productivity (NDVI) during analogous weather observed historically. Using satellite images taken from the past to piece together a simulated future, we projected that productivity of terrestrial vegetation of the Galapagos will increase over the next century by approximately one standard deviation archipelago‐wide, with largest increases during the wet season (January to June) and in the arid zones. Such greening would impact a variety of ecological and evolutionary processes, species of conservation concern, and agricultural practices. Our straightforward approach can be applied to many other regions, particularly those with rapid ecosystem responses to stochastic inter‐annual climatic fluctuations that provide appropriate climate analogs for forecasting.
Sun bears use 14‐year‐old previously logged forest more than primary forest in Sabah, Malaysia
Authors: Hwang Mei‐Hsiu , Ditmer Mark A. , Teo Shu‐De , Wong Siew Te , Garshelis David L.
Published: October 2021

Sun bears (Helarctos malayanus), arguably the least‐known bear species, are endemic to Southeast Asia and are believed to be in rapid decline due to forest loss and poaching, which are severe threats across this region. It has been asserted that, unlike other forest‐dependent, omnivorous bears, sun bears are especially sensitive to changes in forest composition and canopy closure because they often feed on fruits in the canopy. We investigated habitat use of sun bears in a region of Sabah, Malaysian Borneo, containing primary forest adjacent to a 14‐yr‐old selectively logged forest. We used strip transects to quantify trees that sun bears climbed to forage or rest; these were easily recognized by distinctive claw marks. We found 1.8× the density of bear‐climbed trees in the logged vs. the primary forest. Dead wood, a home for various insects eaten by sun bears, was more common in logged forests. Except during masting years, when fruits are exceptionally abundant in this area, sun bears commonly consume termites and bees, both of which were more common in the logged forest and had a positive effect on sun bear presence. Sun bear presence was also positively associated with canopy closure, which on average was higher in primary forest, but some portions of logged forest had very high canopy cover. The logged forest had higher vegetative greenness, which up to a point was attractive to bears, but very high greenness, likely indicative of thick underbrush, appeared to be less attractive. These results indicate that previously logged areas can be valuable habitats for sun bears, providing rich supplies of food––both fruits and insects. A number of recent biodiversity surveys using camera traps have also shown high use of logged areas by sun bears, but here we connected this use to food resources. Conservation of this species is better served by appreciating its omnivorous diet and adaptiveness to varying habitats and thus recognizing the importance of preventing logged areas from deteriorating into agriculture. We warn against focusing only on saving primary forests, and predicting declines of this species from forest cutting, without considering forest regeneration.
Organic‐Inorganic Hybrid Crystal [1‐methylpiperidinium]2[ZnCl4] with High Tc Phase Transition and Dielectric Switches
Authors: Chen Ming , Su Chang‐Yuan , Zhang Wan‐Ying , Wang Wei‐Yi , Huang Pei‐Zhi , Zhang Yi , Fu Da‐Wei
Published: October 2021

The hybrid switchable materials induced by dielectric phase transition are always an important scientific topic for their potential applications in the flexible sensor and devices. And the organic cations and anions can interact effectively, which is conducive to the functional development in the organic‐inorganic hybrid crystal state. In which, the flexible organic cations are more likely to undergo dynamic motion such as order‐disorder transformation and reorientation under temperature stimulation. Here, we chose 1‐methylpiperidinium as flexible organic cation, and then successfully designed a new organic‐inorganic hybrid crystal [1‐methylpiperidinium]2[ZnCl4] (compound 1), which displays a phase‐transition packing structure. It′s worth pointing out that compound 1 undergoes a reversible phase transition at 393.8 K accompanied with a conspicuous dielectric response. The dielectric constant can switch rapidly and reversibly between high and low dielectric states with excellent cycle stability. We believe that the report of compound 1 is conducive to the design of new series of switching materials.
Graphene@Metal Sulfide/Oxide Nanocomposites as Novel Photo‐Fenton‐like Catalysts for 4‐Nitrophenol Degradation
Authors: Matos Renata , Nunes Marta S. , Kuźniarska‐Biernacka Iwona , Rocha Mariana , Guedes Alexandra , Estrada Ana C. , Lopes Joana L. , Trindade Tito , Freire Cristina
Published: October 2021

Herein, S‐doped graphene flakes‐based composites with Fe3O4 and/or CuS nanoparticles (NPs) are reported as photo‐Fenton catalysts for the 4‐nitrophenol (4‐NP) degradation. The S‐doped graphene flakes (S‐GF) were prepared using a thermal treatment approach, and the nanocomposites by the in situ growth of Fe3O4 and/or CuS onto the S‐GF scaffold. The characterization methods confirmed the formation of two‐ and three‐components nanocomposites. The Fe3O4 NPs presented a cubic inverse spinel structure and the CuS phases a covellite structure, both with smaller crystallite sizes in the nanocomposites. The new nanocomposites showed higher ability to catalyze the photo‐Fenton 4‐NP degradation than the individual components. The S‐GF@CuS−Fe3O4 nanocomposite exhibited the best catalytic activity: 95.2 % of 4‐NP degradation, a kinetic of pseudo‐first order (k=0.016 min−1), high photo‐Fenton catalytic stability and catalyst's composition/structure preservation. The CuS NPs showed an important role in the photo‐Fenton‐like catalytic activity improvement.
Polymorphism in cytochrome P4502A6 reduces the risk to head and neck cancer and modifies the treatment outcome
Authors: Yadav Vinay Kumar , Katiyar Tridiv , Ruwali Munindra , Yadav Sanjay , Singh Sudhir , Hadi Rahat , Bhatt Madan Lal Brahma , Parmar Devendra
Published: October 2021

The present case–control study consisting of 1300 cases of head and neck squamous cell carcinoma (HNSCC) and the equal number of controls aimed to investigate the association of functionally important polymorphisms in cytochrome P4502A6 (CYP2A6*1B, CYP2A6*4C, CYP2A6*9‐rs28399433) with HNSCC and the treatment response in cases receiving a combination of chemotherapy/radiotherapy (CT/RT). A significant decrease in risk to HNSCC was observed in the cases with deletion (CYP2A6*4B and CYP2A6*4C) or reduced activity genotypes (CYP2A6*9) of CYP2A6. This risk to HNSCC was further reduced significantly in tobacco users among the cases when compared to nontobacco users among the cases. The risk was also reduced to a slightly greater extent in alcohol users among the cases when compared to nonalcohol users among the cases. In contrast with decreased risk to HNSCC, almost half of the cases with variant genotypes of CYP2A6 (CYP2A6*1A/*4C+*1B/*4C+*4C/*4C and *9/*9) did not respond to the treatment. Likewise, the survival rate in cases receiving the treatment, after 55 months of follow‐up was significantly lower in cases with deletion (6.3%) or reduced activity (11.9%) allele than in the cases with common alleles (41%). The present study has shown that CYP2A6 polymorphism significantly reduces the risk to HNSCC. Our data further suggested that CYP2A6 polymorphism may worsen the treatment outcome in the cases receiving CT/RT.