bluuebunny/crossref_metadata_2025 huggingface dataset:
Tunable Quantum Dots from Atomically Precise Graphene Nanoribbons Using a Multi‐Gate Architecture
Authors: Zhang Jian , Braun Oliver , Barin Gabriela Borin , Sangtarash Sara , Overbeck Jan , Darawish Rimah , Stiefel Michael , Furrer Roman , Olziersky Antonis , Müllen Klaus , Shorubalko Ivan , Daaoub Abdalghani H. S. , Ruffieux Pascal , Fasel Roman , Sadeghi Hatef , Perrin Mickael L. , Calame Michel
Published: February 2023

Atomically precise graphene nanoribbons (GNRs) are increasingly attracting interest due to their largely modifiable electronic properties, which can be tailored by controlling their width and edge structure during chemical synthesis. In recent years, the exploitation of GNR properties for electronic devices has focused on GNR integration into field‐effect‐transistor (FET) geometries. However, such FET devices have limited electrostatic tunability due to the presence of a single gate. Here, on the device integration of 9‐atom wide armchair graphene nanoribbons (9‐AGNRs) into a multi‐gate FET geometry, consisting of an ultra‐narrow finger gate and two side gates is reported. High‐resolution electron‐beam lithography (EBL) is used for defining finger gates as narrow as 12 nm and combine them with graphene electrodes for contacting the GNRs. Low‐temperature transport spectroscopy measurements reveal quantum dot (QD) behavior with rich Coulomb diamond patterns, suggesting that the GNRs form QDs that are connected both in series and in parallel. Moreover, it is shown that the additional gates enable differential tuning of the QDs in the nanojunction, providing the first step toward multi‐gate control of GNR‐based multi‐dot systems.
Fenclorim rice safening and weed control with fall‐applied acetochlor and pyroxasulfone
Authors: Avent Tristen H. , Norsworthy Jason K. , Butts Thomas R. , Roberts Trenton L. , Bateman Nicholas R.
Published: February 2023

Applications of very long‐chained fatty acid elongase (VLCFA)‐inhibiting herbicides are currently not labeled within U.S. rice (Oryza sativa L.) production but have been used in Asian rice production to suppress weedy rice and control other annual grasses and small‐seeded broadleaves. Therefore, separate experiments were initiated in the fall of 2019 and 2020 to evaluate rice tolerance and weedy rice (O. sativa L.) control with acetochlor and pyroxasulfone in the following spring. A three‐factor experiment within a randomized complete block design was implemented with the factors being (1) herbicide choice (acetochlor or pyroxasulfone), (2) a low or high herbicide rate (2100 and 4200 g ai ha−1, and at 237 and 475 g ai ha−1 acetochlor and pyroxasulfone, respectively), and (3) without or with a fenclorim seed treatment (2.5 g ai kg−1 of seed). Throughout the experiments, rice exhibited <10% injury with acetochlor. The fenclorim seed treatment reduced injury (averaged over herbicide choice and rate) from 28% to 21% 28 days after emergence of rice for both trial types. Fenclorim also improved rough‐rice yield (averaged over herbicide choice and rate) by 12 and 18 percentage points for the two different studies. However, regardless of fenclorim, rice did not demonstrate <20% injury with pyroxasulfone. The fenclorim seed treatment or any interaction containing fenclorim did not influence weedy rice control, and weedy rice control with acetochlor ranged from 0% to 48%. Findings from this experiment demonstrate the effects of a fenclorim seed treatment for fall‐applied acetochlor and pyroxasulfone and the efficacy of acetochlor and pyroxasulfone for controlling weedy rice.
Improving water transport through sub‐nanometer channels by alternating hydrophilic–hydrophobic patterns
Authors: Xu Fang , Lei Linfeng , Lian Cheng , Xu Zhi
Published: February 2023

Hydrophilicity is key factor to sub‐nanometer channels for water transport. However, how to effectively integrate the respective advantages of hydrophilicity and hydrophobicity to realize ultrafast water transport at the sub‐nanometer scale is still confusing. By using sub‐nanometer channels formed by two‐dimensional covalent organic frameworks as typical models, we herein demonstrate that alternating hydrophilic–hydrophobic patterns in channels are capable of significantly improving water transport. Alternatingly stacking hydrophilic and hydrophobic monolayers is testified to be energetically favorable to directly piling their multilayers. Meanwhile, alternatingly‐stacked hydrophilic–hydrophobic multilayers are able to achieve much higher water permeability than individual hydrophilic or hydrophobic multilayers. The effect of framework flexibility is also investigated. The exceptional performances benefit from the perfect balance between excellent wettability of hydrophilicity and low friction of hydrophobicity. In order to give full play to the synergistic advantages, the thickness of hydrophobic patterns spaced by hydrophilic ones should be less than 1 nm.
Climbing influences entheseal morphology in the humerus of mice: An experimental application of the VERA methodology
Authors: Karakostis Fotios Alexandros , Wallace Ian J.
Published: January 2023

Objectives

When studying hominin skeletal remains, anthropologists commonly assume that the morphology of entheses (muscle and tendon attachment sites) is influenced by physical activity patterns during life. Here, we use samples of mice from a prior experiment (Siegel & Jones [1975] American Journal of Physical Anthropology 42:141–144) to test this assumption. Specifically, we investigate the effects of habitual climbing on entheses of the humerus using a recently developed protocol for analyzing entheseal morphology called the “Validated Entheses‐based Reconstruction of Activity” (VERA) method.

Materials and Methods

In the original experiment, young mice were raised for approximately 9 weeks in one of two experimental conditions: a cage designed to limit locomotion to terrestrial quadrupedalism over a flat surface (n = 22), or a cage designed to impel animals to cling to a suspended wire mesh apparatus and limit their locomotion to climbing (n = 21). We μCT‐scanned the humeri of these mice and used the VERA method to assess the morphology of the deltoid tuberosity, greater tubercle, lesser tubercle, and supinator crest.

Results

Significant differences in entheseal morphology were detected between climbers and non‐climbers when using both multivariate statistics to assess all entheses simultaneously and univariate statistics to assess each enthesis individually.

Discussion

Our results provide new support for the general use of entheseal morphology for inferring hominin physical activity patterns in the past. Furthermore, based on our results, we propose that analyzing entheseal morphology using the VERA method may be a promising strategy for future research on the importance of climbing in hominin locomotor evolution.
Molecular Mechanisms behind Acetylene Adsorption and Selectivity in Functional Porous Materials
Authors: Han Xue , Yang Sihai
Published: January 2023

Since its first industrial production in 1890s, acetylene has played a vital role in manufacturing a wide spectrum of materials. Although current methods and infrastructures for various segments of acetylene industries are well‐established, with emerging functional porous materials that enabled desired selectivity toward target molecules, it is of timely interest to develop new efficient technologies to promote safer acetylene processes with a higher energy efficiency and lower carbon footprint. In this Minireview, we, from the perspective of materials chemistry, review state‐of‐the‐art examples of advanced porous materials, namely metal–organic frameworks and decorated zeolites, that have been applied to the purification and storage of acetylene. We also discuss the challenges on the roadmap of translational research in the development of new solid sorbent‐based separation technologies and highlight areas which require future research efforts.
Open‐Cage Fullerene as a Selective Molecular Trap for LiF/[BeF]+
Authors: Gao Rui , Liu Zhen , Liu Zeyu , Liang Tongling , Su Jie , Gan Liangbing
Published: January 2023

The insertion of ionic compounds into open‐cage fullerenes is a challenging task due to the electropositive nature of the cavity. The present work reports the preparation of an open‐cage C60 derivative with a hydroxy group pointing towards the centre of the cavity, which can coordinate to a metal cation, thus acting as a bait/hook to trap the metal cation such as the lithium cation in neutral LiF and the beryllium cation in the cationic [BeF]+ species. Other metal salts could not be inserted under similar conditions. The structure of MF in the cage was unambiguously determined by single‐crystal X‐ray diffraction. Owing to its tendency to undergo polycoordination, Li+ monomer salts have not been isolated before, despite extensive research on Li bonds. The present results provide a unique example of a Li bond.
Directed Asymmetric Nickel‐Catalyzed Reductive 1,2‐Diarylation of Electronically Unactivated Alkenes
Authors: Dong Zhan , Tang Qiongyao , Xu Changyu , Chen Li , Ji Haiting , Zhou Sitian , Song Liangliang , Chen Liang‐An
Published: January 2023

Transition‐metal catalyzed intermolecular 1,2‐diarylation of electronically unactivated alkenes has emerged as an extensive research topic in organic synthesis. However, most examples are mainly limited to terminal alkenes. Furthermore, transition‐metal catalyzed asymmetric 1,2‐diarylation of unactivated alkenes still remains unsolved and is a formidable challenge. Herein, we describe a highly efficient directed nickel‐catalyzed reductive 1,2‐diarylation of unactivated internal alkenes with high diastereoselectivities. More importantly, our further effort towards enantioselective 1,2‐diarylation of the unactivated terminal and challenging internal alkenes is achieved, furnishing various polyarylalkanes featuring benzylic stereocenters in high yields and with good to high enantioselectivities and high diastereoselectivities. Interestingly, the generation of cationic Ni‐catalyst by adding alkali metal fluoride is the key to increased efficiency of this enantioselective reaction.
CO2Aggregation on Monoethanolamine: Observations from Rotational Spectroscopy
Authors: Xie Fan , Sun Wenhao , Pinacho Pablo , Schnell Melanie
Published: January 2023

The initial stages of the gas‐phase nucleation between CO2and monoethanolamine were investigated via broadband rotational spectroscopy with the aid of extensive theoretical structure sampling. Sub‐nanometer‐scale aggregation patterns of monoethanolamine‐(CO2)n,n=1–4, were identified. An interesting competition between the monoethanolamine intramolecular hydrogen bond and the intermolecular interactions between monoethanolamine and CO2upon cluster growth was discovered, revealing an intriguing CO2binding priority to the hydroxyl group over the amine group. These findings are in sharp contrast to the general results for aqueous solutions. In the quinary complex, a cap‐like CO2tetramer was observed cooperatively surrounding the monoethanolamine. As the cluster approaches the critical size of new particle formation, the contribution of CO2self‐assembly to the overall stability increases.
Antioxidating and reinforcing effect of polydopamine functionalized silica on natural rubber latex films
Authors: Yi Mingyuan , Xiong Siwen , Zhang Yuxuan , Wan Lihong , Chen Fanfan , Gong He , Yan Sitong , Fang Lin , Wang Zhifen
Published: January 2023

Since the outbreak of COVID‐19, the demand for natural latex products with increased mechanical properties and aging resistance has surged. Based on the excellent adhesion and antioxidant properties of polydopamine (PDA), we employed a one‐pot method to modify the surface of silica substrates using PDA containing a polyphenol structure, to prepare a reinforced silica‐PDA composite latex material with antioxidant properties. As expected, the silica‐PDA composite achieved both uniform dispersion and good interfacial interactions with natural rubber latex (NRL). In addition, compared with common NRL/silica films, the mechanical properties of the NRL/silica‐PDA film were significantly improved; specifically, silica‐PDA can highly‐enhanced the mechanical property of NRL film from 24.94 to 32.18 MPa of tensile strength. Further, the antioxidant activity of the silica‐PDA film exceeded that of commercially available antioxidant D. Considering the notable performance boost of silica‐PDA composites on NRL films, we believe that the treatment of silica with natural polyphenols offers a convenient and facile new route for the preparation of environmentally friendly multifunctional silica additives.
A strong, biodegradable and transparent cellulose‐based bioplastic stemmed from waste paper
Authors: Liu Mengmeng , Tong Shoudi , Tong Zhihan , Guan Yuewen , Sun Yinan
Published: February 2023

It is crucial and significant to boost the utilization of renewable resources and exploitation of biodegradable materials alternative to petrochemical plastics. Waste paper, mainly composed of cellulose (82–95 wt%) and derived from the lignocellulose, is a type of abundant, renewable, and biodegradable resource, whose recycling use and conversion to high value‐added products can reduce the pressure on the environment and exert immense economic benefits. Herein, four kinds of common waste paper (e.g., printing paper, newspaper, straw paper and roll paper) were converted into cellulose‐based bioplastic membranes by using ionic liquid 1‐butyl‐3‐methyl‐imidazolium chloride as solvent. The cellulose‐based membranes are smooth and compact, and their mechanical strength is prominently improved about 3–100 times comparison with the original paper. The maximum tensile strength of the film (F4) is over 127 Mpa and its optical transmittance reaches 80% at 450–800 nm wavelength. Besides, this kind of cellulose‐based films have excellent biodegradability. Thus, the results demonstrated that the cellulose‐based bioplastic membranes stemmed from waste paper possess a magnificent application prospect.
Applying a modified metabarcoding approach for the sequencing of macrofungal specimens from fungarium collections
Authors: Olds C. Gary , Berta‐Thompson Jessie W. , Loucks Justin J. , Levy Richard A. , Wilson Andrew W.
Published: February 2023

Premise

Fungaria are an underutilized resource for understanding fungal biodiversity. The effort and cost of producing DNA barcode sequence data for large numbers of fungal specimens can be prohibitive. This study applies a modified metabarcoding approach that provides a labor‐efficient and cost‐effective solution for sequencing the fungal DNA barcodes of hundreds of specimens at once.

Methods

We applied a two‐step PCR approach using nested, barcoded primers to sequence the fungal nrITS2 region of 766 macrofungal specimens using the Illumina platform. The specimens represent a broad taxonomic sampling of the Dikarya. Of these, 382 Lactarius specimens were analyzed to identify molecular operational taxonomic units (MOTUs) using a phylogenetic approach. The raw sequences were trimmed, filtered, assessed, and analyzed using the DADA2 amplicon de‐noising toolkit and Biopython. The sequences were compared to the NCBI and UNITE databases and Sanger nrITS sequences from the same specimens.

Results

The taxonomic identities derived from the nrITS2 sequence data were >90% accurate across all specimens sampled. A phylogenetic analysis of the Lactarius sequences identified 20 MOTUs.

Discussion

The results demonstrate the capacity of these methods to produce nrITS2 sequences from large numbers of fungarium specimens. This provides an opportunity to more effectively use fungarium collections to advance fungal diversity identification and documentation.
Development of a multigram synthesis of the bradykinin receptor 2 agonist FR‐190997 and analogs thereof
Authors: Vachlioti Eleanna , Ferikoglou Spyridon , Georgiou Xenios , Karampatsis Vasilios , Afratis Konstantinos , Bafiti Vivi , Savard Martin , Papaioannou Dionissios , Katsila Theodora , Gobeil Fernand , Rassias Gerasimos
Published: January 2023

Using Fujisawa's B2R agonist FR‐190997, we recently demonstrated for the first time that agonism at the bradykinin receptor type 2 (B2R) produces substantial antiproliferative effects. FR‐190997 elicited an EC50 of 80 nM in the triple‐negative breast cancer cell line MDA‐MB‐231, a much superior performance to that exhibited by most approved breast cancer drugs. Consequently, we initiated a program aiming primarily at synthesizing adequate quantities of FR‐190997 to support further in vitro and in vivo studies toward its repurposing for various cancers and, in parallel, enable the generation of novel FR‐190997 analogs for an SAR study. Prerequisite for this endeavor was to address the synthetic challenges associated with the FR‐190997 scaffold, which the Fujisawa chemists had constructed in 20 steps, 13 of which required chromatographic purification. We succeeded in developing a 17‐step synthesis amenable to late‐stage diversification that eliminated all chromatography and enabled access to multigram quantities of FR‐190997 and novel derivatives thereof, supporting further anticancer research based on B2R agonists.
Modification of Hollow Expanded Microspheres with Superior Thermal Insulation Properties and Their Applications
Authors: Zhao Tiantian , Yang Heng , Xu Xiaohua , Chang Guangtao , Li Ruoxin
Published: January 2023

Thermally expandable microspheres (TEMs) are hollow polymeric particles in which a blowing gas has been encapsulated. This property makes them excellent for thermal insulation applications, such as lightweight fillers. This study has developed a viable technology for further improving thermal insulation properties in the field that needs excellent thermal insulation of textile fabrics. The ATO/TEMs composites were designed and prepared to reduce sunlight radiation by the charge gravity method. The test results showed that the ATO‐coated TEMs effectively block thermal radiation from sunlight. The temperature difference between ATO/TEMs treated cotton and the uncoated cotton fabric was 9 °C, and the thermal conductivity coatings were 0.0432 W/m⋅K. The UPF value of ATO/TEMs (ILs) coated cotton fabric is 440, significantly higher than pure cotton. This approach can provide insight into the design of high‐performance solar insulation composite structures.
NAD+ supplementation improves mAb productivity in CHO cells via a glucose metabolic shift
Authors: Lee Ji Hwan , Kang Hye‐Im , Kim Suheon , Ahn Yeong Bin , Kim Hagyeong , Hong Jong Kwang , Baik Jong Youn
Published: January 2023

Aerobic glycolysis and its by‐product lactate accumulation are usually associated with adverse culture phenotypes such as poor cell viability and productivity. Due to the lack of knowledge on underlying mechanisms and accompanying biological processes, the regulation of aerobic glycolysis has been an ongoing challenge in culture process development for therapeutic protein productivity. Nicotinamide adenine dinucleotide (NAD+), a coenzyme and co‐substrate in energy metabolism, promotes the conversion of inefficient glycolysis into an efficient oxidative phosphorylation (OXPHOS) pathway. However, the effect of NAD+ on Chinese hamster ovary (CHO) cells for biopharmaceutical production has not been reported yet. In this work, we aimed to elucidate the influence of NAD+ on cell culture performance by examining metabolic shifts and mAb productivity. The supplementation of NAD+ increased the intracellular concentration of NAD+ and promoted SIRT3 expression. Antibody titer and the specific productivity in the growth phase were improved by up to 1.82‐ and 1.88‐fold, respectively, with marginal restrictions on cell growth. NAD+ significantly reduced the accumulation of reactive oxygen species (ROS) and the lactate yield from glucose, determined by lactate accumulation versus glucose consumption (YLAC/GLC). In contrast, OXPHOS capacity and amino acid consumption rate increased substantially. Collectively, these results suggest that NAD+ contributes to improving therapeutic protein productivity in bioprocessing via inducing an energy metabolic shift.
The value of team‐based learning in a pandemic and five simple tips to get started
Authors: Hills Melissa
Published: January 2023

Team‐Based Learning (TBL) can be easily applied to different learning outcomes in various courses. This approach builds community and provides peer support for students in both in‐person and online learning environments. When used for formative assessment, it can promote student learning while reducing the quantity of grading for instructors. Five simple tips to provide structure and flexibility for the successful implementation of Team‐Based Learning are described using an example of a recent second‐year principles of genetics course.
Cynasibirolide A, One New Humulanolide Sesquiterpene from Cynanchum acutum subsp. sibiricum
Authors: Luo De‐Li , Wang Xiao‐Hua , Lei Ya‐E , Lu Chuan‐Qi , Lu Yan , Chen Dao‐Feng , Wang Qi
Published: January 2023

Cynasibirolide A (1), one new humulanolide sesquiterpene, together with four known analogs, asteriscanolide (2), (1S,8S)‐8‐hydroxyhumula‐2Z,6E,9E‐trien‐1,12‐olide (3), (1S,7R)‐8‐oxohumula‐2Z,9E‐dien‐1,12‐olide (4), and (+)‐6,7,9,10‐tetrahydroasteriscunolide (5) were isolated from the roots and rhizomes of Cynanchum acutum subsp. sibiricum. Their structures and configurations were elucidated by spectroscopic methods, including 2D‐NMR techniques, and the structure of 1 was confirmed by single‐crystal X‐ray diffraction. All compounds were evaluated for their anti‐complementary activity in vitro, and compound 3 exhibited anti‐complement effect with CH50 value of 0.45 mM.
Metabolomics Reveals a “Trimeric” γ‐Actinorhodin from Streptomyces coelicolor M145
Authors: Marshall Andrew P. , Carlson Erin E.
Published: February 2023

Streptomyces coelicolor is a prolific producer of natural products and serves as a model organism for their study. It produces several pigmented antibiotics, the best‐studied of which are the actinorhodins. We used a combination of liquid chromatography‐mass spectrometry (LC–MS) and computational tools used for annotating the detected species (e. g., spectral matching, in‐silico predictors, molecular networking) to identify putative new actinorhodin analogs. These studies led to the discovery of the first trimeric benzoisochromanequinone, θ‐actinorhodin (1). Further metabolomics analysis revealed that the relative amounts of shunt products produced were similar between the two growth conditions explored. This suggests that, while substantially different products were being produced, the biosynthetic gene clusters were similarly active. Overall, this work describes the discovery of the first trimeric benzoisochromanequinone and explores the biosynthetic processes that might lead to its production by metabolomics analysis of relevant intermediates.
Mental health prep for college
Authors: Wolfe Michael , Duggins‐Warf Micah , Frappier Lisa
Published: January 2023

The time leading up to the first day of university is a whirlwind of study, social activities, applications, due dates, rejections, acceptances, graduation, jobs, and time off. The excitement mixed with anticipation and anxiety can be a complicated time mixed with feelings of loss of “being a kid” and expectations of independence as “an adult.” Transition can be hard and sometimes conflicts between parents and teens escalate as they prepare to separate from home. College is a rigorous time of rapid development and great change for students and their families. We are lucky that we are in an age where the world has started to recognize and speak about mental health and wellness, and the factors that can impact well‐being (racism, structural racism, pandemics, and the need and lack of mental health services, e.g., National Emergency in Child and Adolescent Mental Health 10/19/2021). With 50% of all lifetime mental illness beginning by the age of 14, and 75% by the age of 24, this is a very important phase of life to help our teens/young adults and their caregivers prepare for the transition to college. Working on a plan to transition to higher education will help reduce the stress of this transition as well as improve students’ success for their chosen path, especially for teens who have identified a psychiatric illness.
Parenting opportunities: Apologizing
Authors: Walters Anne S.
Published: January 2023

Recently, I listened to a two‐part podcast about apologizing by Harriet Lerner and Brene Brown (2020), based on Lerner's book (2017) on the topic. Two concepts from the podcast have continued to resonate with me. One is the act of apologizing itself, and the other is curiosity. So, this month's commentary will focus on apologies, and we will return to curiosity at a later date.
Atroposelective Nenitzescu Indole Synthesis
Authors: Thönnißen Vinzenz , Atodiresei Iuliana L. , Patureau Frederic W.
Published: February 2023

In the past decade, compounds bearing a stereogenic C−N axis have gained significant attention in fields ranging from ligand to drug design. Yet, the atroposelective synthesis of these molecules remains a considerable challenge. In contrast to recent methods using more advanced chiral catalysts, a very simply accessed Jacobsen‐type chromium(III)−salen complex was used here as a chiral enantiopure Lewis acid catalyst for a highly atroposelective Nenitzescu indole synthesis. Mild reaction conditions afforded various 5‐hydroxybenzo[g]indoles in up to 97 % yield. Moreover, through a simple work‐up, very high enantiomeric excesses of up to 99 % could be obtained.
Deposition of polymeric sensing materials for gas detection
Authors: Mavani Bhoomi H. , Arabi Mohamed , Saritas Resul , Scott Alison J. , Abdel‐Rahman Eihab , Penlidis Alexander
Published: February 2023

Once a promising polymeric (detection) material is identified, it needs to be incorporated into a MEMS sensor. In this sensor functionalization step, the deposition of the polymeric material on the sense‐plate should be accurate and repeatable. After a quick overview of different deposition methods and related solubility characteristics of polyaniline (and derivatives), drop coating is implemented to deposit polyaniline on sense‐plates, moving from a manual deposition technique to a semi‐automated deposition procedure with more practical benefits, and identifying an optimal ‘carrier’ mixture of 10–15/90–85 polyaniline/ethylene glycol. A correlation can be established between area coverage and polymer mass, which leaves room for future fully automated deposition using image processing.
A phase 1 dose‐escalation study of the poly(ADP‐ribose) polymerase inhibitor senaparib in Australian patients with advanced solid tumors
Authors: Gao Bo , Voskoboynik Mark , Cooper Adam , Wilkinson Kate , Hoon Siao , Hsieh Chih‐Yi , Cai Suixiong , Tian Ye Edward , Bao Jun , Ma Ning , Wang Chen , Zhang Ming , Li Baoyue , Guo Mingchuan , Zhou Ruiyu , Wang Xiaozhu , Xu Cong , de Souza Paul
Published: January 2023

Background

Senaparib is a novel, selective poly(ADP‐ribose) polymerase‐1/2 inhibitor with strong antitumor activity in preclinical studies. This first‐in‐human, phase 1, dose‐escalation study examined the safety and preliminary efficacy of senaparib in patients with advanced solid tumors.

Methods

Patients with advanced solid tumors were enrolled from three centers in Australia, using a conventional 3 + 3 design. Dose‐escalation cohorts continued until the maximum tolerated dose or a recommended phase 2 dose was determined. Patients received one dose of oral senaparib and, if no dose‐limiting toxicity occurred within 7 days, they received senaparib once daily in 3‐week cycles. The primary end points were safety and tolerability.

Results

Thirty‐nine patients were enrolled at 10 dose levels ranging from 2 to 150 mg. No dose‐limiting toxicities were observed in any cohort. Most treatment‐emergent adverse events were grade 1–2 (91%). Seven patients (17.9%) reported hematologic treatment‐emergent adverse events. Treatment‐related adverse events occurred in eight patients (20.5%), and the most frequent was nausea (7.7%). Two deaths were reported after the end of study treatment, one of which was considered a complication from senaparib‐related bone marrow failure. Pharmacokinetic analysis indicated that senaparib the accumulation index was 1.06–1.67, and absorption saturation was 80–150 mg daily. In 22 patients with evaluable disease, the overall response rate was 13.6%, and the disease control rate was 81.8%. The overall response rate was 33.3% for the BRCA mutation‐positive subgroup and 6.3% for the nonmutated subgroup.

Conclusions

Senaparib was well tolerated in Australian patients with advanced solid tumors, with encouraging signals of antitumor activity. The recommended phase 2 dose for senaparib was determined to be 100 mg daily.

ClinicalTrials.gov ID

NCT03507543.
In silico approach towards neuro‐occlusal rehabilitation for the early correction of asymmetrical development in a unilateral crossbite patient
Authors: Ortún‐Terrazas Javier , Cegoñino José , Pérez del Palomar Amaya
Published: February 2023

Neuro‐occlusal rehabilitation (N.O.R.) is a discipline of the stomatognathic medicine that defends early treatments of functional malocclusions, such as unilateral crossbite, for the correction of craniofacial development, avoiding surgical procedures later in life. Nevertheless, N.O.R.'s advances have not been proved analytically yet due to the difficulties of evaluate the mechanical response after the treatment. This study aims to evaluate computationally the effect of N.O.R.'s treatments during childhood. Therefore, bilateral chewing and maximum intercuspation occlusion were modelled through a detailed finite element model of a paediatric craniofacial complex, before and after different selective grinding‐alternatives. This model was subjected to the muscular forces derived from a musculoskeletal model and was validated by the occlusal contacts recorded experimentally. This approach yielded errors below 2% and reproduced successfully the occlusal, muscular, functional and mechanical imbalance before the therapies. Treatment strategies balanced the occlusal plane and reduced the periodontal overpressure (>4.7 kPa) and the mandibular over deformation (>0.002 ε) on the crossed side. Based on the principles of the mechanostat theory of bone remodelling and the pressure‐tension theory of tooth movement, these findings could also demonstrate how N.O.R.'s treatments correct the malocclusion and the asymmetrical development of the craniofacial complex. Besides, N.O.R.'s treatments slightly modified the stress state and functions of the temporomandibular joints, facilitating the chewing by the unaccustomed side. These findings provide important biomechanical insights into the use of N.O.R.'s treatments for the correction of unilateral crossbite, but also encourage the application of computing methods in biomedical research and clinical practise.
Serum and peritoneal biomarkers for the early prediction of symptomatic anastomotic leakage in patients following laparoscopic low anterior resection: A single‐center prospective cohort study
Authors: Qi Xin‐Yu , Tan Fei , Liu Mao‐Xing , Xu Kai , Gao Pin , Yao Zhen‐Dan , Zhang Nan , Yang Hong , Zhang Cheng‐Hai , Xing Jia‐Di , Cui Ming , Su Xiang‐Qian
Published: January 2023

Background

Anastomotic leakage (AL) is one of the common complications after rectal cancer surgery. This study aimed to evaluate the combination of biomarkers for the early prediction of symptomatic AL after surgery.

Methods

A prospective cohort study evaluated the serum and peritoneal biomarkers of patients who underwent laparoscopic low anterior resection (Lap LAR) from November 1, 2021, to May 1, 2022. Multivariate‐penalized logistic regression was performed to explore the independent biomarker with a P‐value <.1, and receiver operating characteristic (ROC) curve was used to analyze the area under the curve (AUC), sensitivity, and specificity of the independent biomarkers. A predictive model for symptomatic AL was built based on the independent biomarkers and was visualized with a nomogram. The calibration curve with the concordance index (c‐index) was further applied to evaluate the efficacy of the predictive model.

Results

A total of 157 patients were included in this study, and 7 (4.5%) were diagnosed with symptomatic AL. C‐reactive protein/album ratio (CAR) on postoperative day 1 and systemic immune‐inflammation index (SII) and peritoneal interleukin‐6 (IL‐6) on postoperative day 3 were proven to be independent predictors for the early prediction of symptomatic AL. The optimal cutoff values of CAR, SII, and peritoneal IL‐6 were 1.04, 916.99, and 26430.09 pg/ml, respectively. Finally, the nomogram, including these predictors, was established, and the c‐index of this nomogram was 0.812, indicating that the nomogram could be used for potential clinical reference.

Conclusion

The combination of CAR, SII, and peritoneal IL‐6 might contribute to the early prediction of symptomatic AL in patients following Lap LAR. Given the limitations of this study and the emergence of other novel biomarkers, multicenter prospective studies are worthy of further exploration.
Scale‐dependent effects of species diversity on aboveground biomass and productivity in a subtropical broadleaved forest on Mt. Huangshan
Authors: Xie Lei , Chen Hao , Wei Lai , Chen Shuifei , Wang Lu , Xu Baokun , Yi Xiangui , Wang Xianrong , Ding Hui , Fang Yanming
Published: February 2023

The relationship between species diversity and biomass/productivity is a major scientific question in ecology. Exploring this relationship is essential to understanding the mechanisms underpinning the maintenance of biodiversity. Positive, negative, and neutral relationships have been identified in controlled experiments and observational research. However, increasing evidence suggests that the effects of species diversity on aboveground biomass and productivity are influenced by biotic and abiotic factors, but it remains unclear whether scale‐dependent effects affect aboveground biomass and productivity. Herein, we used a generalized linear regression model and a structural equation model to explore relationships between species diversity and productivity/aboveground biomass under different scales and to investigate the effects of topographical factors and species diversity on ecosystem functioning. The results revealed a positive relationship between biodiversity and ecosystem functioning based on species diversity and aboveground biomass. Different sampling scales may impact the relationship between species diversity and ecosystem functioning. A positive relationship was found between species richness and productivity at medium and large scales; however, ambiguous relationships were found in productivity and other species diversity indices. Elevation was a key factor affecting both biomass and productivity. These results suggest that species diversity is not the only factor affecting biomass and productivity, and the positive correlation between species diversity and ecosystem functioning is mediated by abiotic factors.
A 10‐μm Ultrathin Lithium Metal Composite Anodes with Superior Electrochemical Kinetics and Cycling Stability
Authors: Zhang Gefei , Wang Kai , Xu Yanan , Zhang Xudong , Peng Qifan , Ma Yibo , Li Shani , Zhang Xiong , Sun Xianzhong , Ma Yanwei
Published: February 2023

Lithium metal is a promising candidate for the promotion of the next generation high energy density batteries. The employment of ultrathin Li metal anode with controllable thickness could enable a higher efficiency of Li utilization. Herein, a simple method to fabricate free‐standing 10 μm ultrathin Li metal anode is developed in this work. A three‐dimensional MnOx‐coated CNT framework is constructed through a facile hydrothermal process, utilizing as a host for molten Li infusion, which could not only put forward a simple strategy to modulate the thickness of Li metal film but also restricts the volume expansion. The abundant MnOx nanoparticles acting as lithiophilic sites reduce the Li nucleation barrier and optimize the electrochemical kinetics at the anode/electrolyte interface. As a result, the ultrathin Li composite anode exhibits a superior lifespan expanded to 2000 cycles in a symmetric cell, as well as a better capacity and rate capability than that of bare Li anode in full cell, fulfilling the requirements of high energy density and stable cycling life. Furthermore, a wave‐shaped Li metal pouch cell based on the ultrathin Li composite anode is assembled that exhibits remarkable mechanical bending toleration and cyclic stability, demonstrating large potential application in the field of flexible wearable devices.
Impact of ferric carboxymaltose for iron deficiency at discharge after heart failure hospitalization: a European multinational economic evaluation
Authors: McEwan Phil , Harrison Cale , Binnie Rhona , Lewis Ruth D. , Cohen‐Solal Alain , Lund Lars H. , Ohlsson Marcus , von Haehling Stephan , Comin‐Colet Josep , Pascual‐Figal Domingo A. , Wächter Sandra , Dorigotti Fabio , de Arellano Antonio Ramirez , Ponikowski Piotr , Jankowska Ewa A.
Published: January 2023

Aims

Iron deficiency (ID) is comorbid in up to 50% patients with heart failure (HF) and exacerbates disease burden. Ferric carboxymaltose (FCM) reduced HF hospitalizations and improved quality of life when used to treat ID at discharge in patients hospitalized for acute HF with left ventricular ejection fraction <50% in the AFFIRM‐AHF trial. We quantified the effect of FCM on burden of disease and the wider pharmacoeconomic implications in France, Germany, Poland, Spain and Sweden.

Methods and results

The per country eligible population was calculated, aligning with the 2021 European Society of Cardiology (ESC) HF guidelines and the AFFIRM‐AHF trial. Changes in burden of disease with FCM versus standard of care (SoC) were represented by disability‐adjusted life years (DALYs), hospitalization episodes and bed days, using AFFIRM‐AHF data. A Markov model was adapted to each country to estimate cost‐effectiveness and combined with epidemiology data to calculate the impact on healthcare budgets. Between 335 (Sweden) and 13 237 (Germany) DALYs were predicted to be avoided with FCM use annually. Fewer hospitalizations and shorter lengths of stay associated with FCM compared to SoC were projected to result in substantial annual savings in bed days, from 5215 in Sweden to 205 630 in Germany. In all countries, FCM was predicted to be dominant (cost saving with gains in quality‐adjusted life years), resulting in net savings to healthcare budgets within 1 year.

Conclusions

This comprehensive evaluation of FCM therapy highlights the potential benefits that could be realized through implementation of the ESC HF guideline recommendations regarding ID treatment.
Synthesis and Applications of Peptides and Peptidomimetics in Drug Discovery
Authors: Jimmidi Ravikumar
Published: January 2023

Peptides are described as naturally occurring short chains of amino acids and offer great potential as therapeutic agents because of their target selectivity, safe, and well tolerable. Hence, there is an increased interest in peptides in pharmaceutical research and development and approximately more than 170 peptide therapeutics are currently being evaluated in clinical trials and many are being used as therapeutic drugs for various diseases including COVID‐19. The present Review article focuses on recent progress in peptide drug discovery and advancements in synthetic methodologies to enhance their stability and physiological activity of peptides and as well peptidomimetics.
Combined electroosmotic and pressure‐driven transport of neutral solutes across a rough, porous‐walled microtube
Authors: Sengupta Sourav , Dasgupta Tuhin , Roy Debashis , Dejam Morteza , De Sirshendu
Published: January 2023

A number of microfluidic systems of interest essentially consist of micro‐scaled channels/tubes, whose walls are inherently rough. The novelty of the current study lies in exploring the impact of the wall roughness on mass transfer in the case of flow through a microtube with porous wall. The current investigation is possibly the first attempt at exploring the effect of mass transfer for a porous‐walled, rough microtube, as earlier studies were limited to the analysis of hydrodynamic and thermal effects only in an impervious microtube. In particular, the effects of the corrugation amplitude and the wavenumber on the mass transport have been assessed in detail in this work, via a combination of perturbation approximations and numerical analysis. Several interesting revelations are elicited regarding the effects of these pertinent parameters on the mass transfer coefficient, permeation flux, wall surface concentration, and delivery flux of the neutral solute. It has been unveiled that it is possible to enhance the solute mass flux by 10% via appropriate tuning of corrugation amplitude. The findings of the study can help in better understanding of mass transport for a porous‐walled, rough microtube, which has critical relevance in several important applications such as micromixers, targeted drug delivery, and so on.
Analog circuit fault diagnosis based on enhanced Harris Hawks optimization algorithm with RBF neutral network
Authors: Feng Haonan , Li Gang , Yu Jianjie , Ma Xiaojiao , Wang Junfei
Published: January 2023

Circuit faults are caused by the change of device parameters in the analog circuit. Aiming at the problems that the fault feature extraction is difficult and the fault signal cannot be effectively classified, an enhanced Harris Hawks algorithm is proposed to optimize the parameter optimization process in the RBF neural network, so as to realize the fault identification and diagnosis of the analog circuit. Based on wavelet packet analysis, the output response of the analog circuit is decomposed, and the fault feature vector is extracted. Taking the power conversion circuit in the electronic interlocking system as the research object, 500 sets of data are collected, and the EHHO‐RBF algorithm is trained and tested to realize the fault diagnosis of different faults, and compared with other neural network fault algorithms, the experimental results show the accuracy of fault diagnosis of EHHO‐RBF method is about 96.5%, which verifies the effectiveness and feasibility of the algorithm.
Sex‐based structural and functional MRI outcomes in the rat brain after soman (GD) exposure‐induced status epilepticus
Authors: Gage Meghan , Vasanthi Suraj S , Meyer Christina M , Rao Nikhil S , Thedens Daniel R , Kannurpatti Sridhar S. , Thippeswamy Thimmasettappa
Published: January 2023

Objective

Exposure to the nerve agent, soman (GD), induces status epilepticus (SE), epileptogenesis, and even death. Although rodent models studying the pathophysiological mechanisms show females to be more reactive to soman, no tangible sex differences in brains postexposure have been reported. In this study, we used multimodal imaging using MRI in adult rats to determine potential sex‐based biomarkers of soman effects.

Methods

Male and female Sprague Dawley rats were challenged with 1.2 × LD50 soman followed by medical countermeasures. Ten weeks later, the brains were analyzed via structural and functional MRI.

Results

Despite no significant sex differences in the initial SE severity after soman exposure, long‐term MRI‐based structural and functional differences were evident in the brains of both sexes. While T2 MRI showed lesser soman‐induced neurodegeneration, large areas of T1 enhancements occurred in females than in males, indicating a distinct pathophysiology unrelated to neurodegeneration. fMRI‐based resting‐state functional connectivity (RSFC), indicated greater reductions in soman‐exposed females than in males, associating with the T1 enhancements (unrelated to neurodegeneration) rather than T2‐hyperintensity or T1‐hypointensity (representing neurodegeneration). The wider T1 enhancements associating with the decreased spontaneous neuronal activity in multiple resting‐state networks in soman‐exposed females than males suggest that neural changes unrelated to cellular atrophy impinge on brain function postexposure. Taken together with lower spontaneous neural activity in soman‐exposed females, the results indicate some form of neuroprotective state that was not present in males.

Significance

The results indicate that endpoints other than neurodegeneration may need to be considered to translate sex‐based nerve agent effects in humans.
A novel NOx prediction model using the parallel structure and convolutional neural networks for a coal‐fired boiler
Authors: Li Nan , Hu Yong
Published: January 2023

In this paper, a novel model with a parallel structure is proposed to predict NOx emissions from coal‐fired boilers by using historical operational data, coal properties, and convolutional neural networks. The model inputs are processed and passed into three parallel subnetworks with well‐designed building blocks. The features learned by the three subnetworks are fused and used to predict NOx emissions from a 330‐MW pulverized coal‐fired utility boiler. A comprehensive comparison of different prediction models based on deep learning algorithms shows that the prediction model proposed in this paper outperforms other prediction models in terms of root mean square error criteria. The results show that the parallel structure is key to obtaining accurate predictions while reducing model complexity. This suggests that the model's performance can be improved by designing the model architecture.
Changes in suspended‐sediment yields under divergent land‐cover disturbance histories: A comparison of two large watersheds, Olympic Mountains, USA
Authors: Jaeger Kristin L. , Anderson Scott W. , Dunn Sarah B.
Published: January 2023

Improvements in timber harvest practices and reductions in harvest volumes over the past half century are commonly presumed to have reduced sediment loads in many western US rivers. However, direct assessments in larger watersheds are relatively sparse. Here, we compare 2019–21 sediment concentrations against those of the late 1970s in the Bogachiel and Calawah  River watersheds, adjacent and similarly sized (~300 km2) basins in the western Olympic Mountains of Washington State. The Calawah River watershed has experienced significant land‐cover disturbance, including a large 1951 fire, extensive post‐fire salvage logging, and relatively high rates of timber harvest through the 1990s. In contrast, the Bogachiel River watershed did not burn, and experienced only modest timber harvest that largely post‐dated 1970s sediment monitoring. Channel‐width trends suggest the Calawah River was still recovering from 1950s disturbances in the late 1970s. We found that 2019–21 suspended‐sediment loads in the Calawah River were 2.3–2.6 times lower than would have been expected based on 1970s sediment rating curves, while recent loads in the Bogachiel River were a factor of 1.4 ± 1.0 lower. We consider the plausibility and possible explanations of declining concentrations in the less‐disturbed Bogachiel River. Suspended‐sediment yields in the Bogachiel River were two times higher than yields in the Calawah River, which is attributed to a combination of modestly higher precipitation, more efficient runoff generation, and more extensive and erodible Quaternary valley fills in the Bogachiel River. Regional shifts in flood hydrology have also influenced suspended‐sediment loads in both watersheds. Our results then document a significant decline in suspended‐sediment concentrations in the Calawah River over the past half century. Reduced land‐cover disturbance provides the simplest and most likely explanation for this decline, though the wide range of possible concentration changes in the Bogachiel River leaves open possibilities that other processes (human, natural, or methodologic) could be a factor.