bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhancement of Thermal Boundary Conductance between MoS2 and Dielectric Layer by Self‐Assembled Monolayers
Authors: Huang Jian , Yu Xiaotong , Wang Xiaofeng , Wang Fanfan , Liu Zexin , Yang Kai , Yue Yue , Li Kangyong , Dai Ruiwen , Lin Aming , Sun Yiyang , Zhao Tianlong , Wang Zhiqiang , Gao Yuan , Zhang Lifu , Chen Dongdong , Xin Guoqing 
Published: June 2024

AbstractThe 2D semiconductor monolayer MoS2 is expected to be a potential channel material to achieve higher miniaturization and integration in post‐Moore era due to its exceptional electrical and optical properties. However, the weak van der Waals interaction between MoS2 and the dielectric substrate induces high interfacial thermal resistance and impedes the heat dissipation, leading to significant temperature rise and consequential device performance degradation. Here, self‐assembled monolayers (SAM) are employed to modify the surface of dielectric SiO2 and enhance thermal boundary conductance (TBC) between MoS2 and dielectric layer. The surface roughness of dielectric SiO2 is improved by the SAM, depressing the photon scattering. More importantly, the interfacial bonding force is strengthened by the formation of chemical covalent N‐Mo bonds between NH2‐terminated SAM and MoS2, thus leading to a 118% TBC improvement between MoS2 and NH2‐terminated SiO2 compared to pristine SiO2 substrate. Simultaneously, the current reduction caused by self‐heating effect in the monolayer MoS2 field‐effect transistor is eliminated and the maximum power density of the device is largely improved. The incorporation of SAM in 2D semiconductor nanoelectronics presents great potential for device thermal management and reliability improvement.
Reformulation of dicamba herbicide: Impacts on offsite transport and soybean damage
Authors: Hammer Caleb R. , Griffis Timothy J. , Baker John M. , Rice Pamela J. , Frankson Lara E. , Gunsolus Jeffrey L. , Erickson Matthew D. , Xiao Ke , Mistry Aarti P. , Sarangi Debalin 
Published: June 2024

AbstractThe herbicide dicamba (3,6‐dichloro‐2‐methoxybenzoic acid) is commonly used to control broadleaf weeds in soybeans. Dicamba, however, is susceptible to volatilization and drift, thereby causing significant plant damage to nontarget crops downwind. Dicamba was reformulated to reduce volatility and off‐target movement. The effectiveness of the dicamba reformulation was assessed by quantifying dicamba emissions following spray application and investigated how meteorological factors influenced the off‐target movement. The experiments were conducted at the University of Minnesota Agricultural Experiment Station (UMORE Park) during the growing season of 2018, 2019, 2021, and 2022. Multiple high‐flow polyurethane foam air samplers were used to measure dicamba concentrations downwind from a 4‐ha soybean field sprayed with dicamba. Dicamba emissions were estimated using backward Lagrangian modeling constrained by the air sample observations. The results indicate that dicamba emissions and downwind transport were significant for several days following application. Further, non‐traited soybeans located within 15–45 m showed substantial dicamba‐related damage. In warmer, drier seasons, increased dicamba emissions caused more severe damage to downwind soybeans, likely worsened by drought stress preventing recovery. Favorable atmospheric conditions that reduced potential drift can be difficult to achieve in terms of the typical weather experienced over agricultural sites in the Upper Midwest. These results indicate that the dicamba reformulation has not adequately prevented significant post‐spray volatilization losses and downwind transport.
Recent advances in biobased materials and value‐added chemicals
Authors: Simanke Adriane , Harrison Jacob , Srinivasan Priya , Ouyang Mengyao , Xie Jiahan , Domingues Nei Sebastiao 
Published: June 2024

AbstractBiomass feedstocks are established as a key resource and a viable alternative for an economy less dependent on fossil inputs. This review offers an examination exemplified by fresh references covering strategies to reach a sustainable conversion of biomass to emerging chemicals and materials. Biobased chemicals lead to reduced climate change impacts compared with their fossil‐based counterparts. There is a broad range of products that can be targeted for biobased production, and it is important to select both the feedstocks and the target chemicals, which have a positive environmental impact and opportunity of commercial success. From the perspective of polymer science, we summarize emerging polymers that can be derived from biomass with promising properties. Furthermore, as challenges in the field of emerging biobased materials and chemicals are driven both by performance constraints and economic factors, we also examine recent progress in catalytic and biochemical process towards successful end products.
Naturally diverse plant communities do not resist invasion by the strong competitor, Microstegium vimineum
Authors: Williams Griffin Lee , Brewer J. Stephen 
Published: June 2024

AbstractPremiseTheory predicts and empirical studies have shown that ecologically manipulated communities with high species diversity are resistant to invasion, but do these predictions and results hold true when applied to highly competitive invaders in natural communities? Few studies of diversity‐mediated invasion resistance have measured both invasion resistance and invader impact in the same study.MethodsWe used a two‐year field experiment to test: (1) diversity‐mediated competitive resistance to patch expansion by the grass, Microstegium vimineum; and (2) the competitive effect of M. vimineum on resident plant diversity. We examined responses of M. vimineum to two native plant density‐reduction treatments that had opposite effects on species diversity: (1) reducing species richness via the removal of rare species; and (2) reducing dominance by reducing the density of the dominant resident species. We examined the effects of M. vimineum reduction by pre‐emergent herbicide on resident diversity in the second year of the study.ResultsNeither rare species removal nor dominant species reduction significantly increased M. vimineum density (relative growth rate). The pre‐emergent herbicide dramatically reduced M. vimineum in year 2 of the study, but not most resident plants, which were perennials and indirectly benefited from the herbicide at a more productive site, presumably due to reduced competition from M. vimineum.ConclusionsDiversity‐mediated resistance did not effectively deter invasion by a highly competitive invader. In the case of M. vimineum and at more productive sites, it would appear that nearly complete removal of this invader is necessary to preserve plant species diversity.
Multiple myeloma: 2024 update on diagnosis, risk‐stratification, and management
Authors: Rajkumar S. Vincent 
Published: June 2024

AbstractDisease overviewMultiple myeloma accounts for approximately 10% of hematologic malignancies.DiagnosisThe diagnosis requires ≥10% clonal bone marrow plasma cells or a biopsy proven plasmacytoma plus evidence of one or more multiple myeloma defining events (MDE): CRAB (hypercalcemia, renal failure, anemia, or lytic bone lesions) attributable to the plasma cell disorder, bone marrow clonal plasmacytosis ≥60%, serum involved/uninvolved free light chain (FLC) ratio ≥100 (provided involved FLC is ≥100 mg/L and urine monoclonal protein is ≥200 mg/24 h), or >1 focal lesion on magnetic resonance imaging.Risk stratificationThe presence of del(17p), t(4;14), t(14;16), t(14;20), gain 1q, del 1p, or p53 mutation is considered high‐risk multiple myeloma. Presence of any two high risk factors is considered double‐hit myeloma; three or more high risk factors is triple‐hit myeloma.Risk‐adapted initial therapyIn patients who are candidates for autologous stem cell transplantation, induction therapy consists of anti‐CD38 monoclonal antibody plus bortezomib, lenalidomide, dexamethasone (VRd) followed by autologous stem cell transplantation (ASCT). Selected standard risk patients can delay transplant until first relapse. Frail patients who not candidates for transplant are treated with VRd for approximately 8–12 cycles followed by maintenance or alternatively with daratumumab, lenalidomide, dexamethasone (DRd) until progression.Maintenance therapyStandard risk patients need lenalidomide maintenance, while bortezomib plus lenalidomide maintenance is needed for high‐risk myeloma.Management of relapsed diseaseA triplet regimen is usually needed at relapse, with the choice of regimen varying with each successive relapse. Chimeric antigen receptor T (CAR‐T) cell therapy and bispecific antibodies are additional options.
Toddler hair cortisol levels are associated with maternal prenatal depression
Authors: Thayer Zaneta M. , Nemeth Katherine L. , Beauregard Jade A. , Gildner Theresa E. 
Published: June 2024

AbstractObjectivesCortisol is an important metabolic hormone that regulates multiple physiologic systems. Cortisol metabolism is sensitive to early life environments, including that experienced prenatally. Limited research has evaluated factors that predict variation in maternal and offspring toddler hair cortisol, which is important since hair cortisol represents different dynamics of hypothalamic pituitary adrenal (HPA)‐axis function than more common salivary or serum measures.MethodsTo address this gap, we longitudinally evaluated whether maternal depression measured in pregnancy and 1 month postnatal was associated with maternal and offspring hair cortisol levels approximately 15 months after birth (n = 46 mothers, 40 toddlers; mean 15.6 months postnatal, SD = 2.9 months).ResultsMean depression symptoms were highest during the prenatal period. Prenatal, but not postnatal, maternal depression was associated with offspring hair cortisol levels (B = 0.095, p = .01). Maternal hair cortisol was not associated with depression measured at either time point.ConclusionsThese findings indicate that offspring hair cortisol more than a year after birth is associated with maternal prenatal depression, consistent with previous research in salivary cortisol, suggesting that long‐term offspring stress physiology may be influenced by conditions experienced in utero. These findings highlight the potential for hair cortisol—a minimally invasive and easy‐to‐collect measure— to index toddler HPA‐axis dynamics.
Cross‐sectional association between posttraumatic stress and cognition is moderated by pulmonary functioning in world trade center responders
Authors: Choi Jaeun , Hall Charles B. , Clouston Sean A. P. , Cleven Krystal L. , Mann Frank D. , Luft Benjamin J. , Zammit Andrea R. 
Published: June 2024

AbstractBackgroundPosttraumatic stress disorder (PTSD) symptomatology and poorer pulmonary function are highly prevalent psychiatric and medical conditions. In the present study, we tested for the individual, additive, and modifying associations of PTSD symptomatology and pulmonary function with cognitive performance.MethodsIn this cross‐sectional study, a total of 1,401 World Trade Center (WTC) responders (mean age = 53, SD = 8 years, 92% males) participated in the study. Cogstate assessment measured cognitive performance. PTSD symptomatology was measured using the trauma‐specific version of the posttraumatic stress disorder checklist (PCL‐17) adapted for the WTC attacks. The 1‐second forced expiratory volume and forced vital capacity (FEV1/FVC) ratio was used to measure pulmonary function. Linear regressions with cognitive performance as the outcome were conducted to assess individual, additive, and moderating associations of PTSD symptomatology and pulmonary function.ResultsHigher PTSD symptomatology and poorer pulmonary function were negatively associated with cognitive performance. A 10% increase on the FEV1/FVC ratio moderated the association between PTSD symptomatology and cognition, whereby its association with cognition was stronger when PTSD symptomatology was higher (est. = 0.01, 95%CI = 0.004, 0.01, p < 0.001). When stratified by responder type, these associations persisted in trained (est. = 0.01, 95%CI = 0.01, 0.02, p < 0.001), but not in non‐trained (est. = 0.004, 95% C.I. = −0.01, 0.02, p = 0.39) responders.ConclusionsIn the presence of higher PTSD, better pulmonary functioning is associated with better cognitive performance. Early intervention efforts to mitigate preventable cognitive decline in high‐risk populations should be studied, especially since intervention in one modality may have an impact on others.
COL4A1‐related disorder as a mimic of congenital TORCHES infection—Expanding the clinical, neuroimaging and genotype spectrum
Authors: Kukulka Natalie A. , Zarei Sanam , Glass Joshua , Bouska Cecilia , Schroder Jason , Sen Kuntal 
Published: June 2024

AbstractPseudo‐TORCH Syndrome (PTS) encompasses a heterogeneous group of genetic disorders that may clinically and radiologically resemble congenital TORCH infections. These mimickers present with overlapping features manifested as intracranial and systemic abnormalities. Collagen type IV alpha 1 chain (COL4A1)‐related diseases, characterized by autosomal dominant inheritance, exhibit a diverse phenotypic spectrum involving cerebrovascular, renal, ophthalmological, cardiac, and muscular abnormalities. Cerebrovascular manifestations range from small‐vessel brain disease to large vessel abnormalities, resulting in intracerebral hemorrhage, periventricular leukoencephalopathy, and ventriculomegaly. Additional features include cortical malformations, eye defects, arrhythmias, renal disease, muscular abnormalities, and hematological manifestations. Age of onset varies widely, and phenotypic variability exists even among individuals with the same variant. In this study, we present two cases of COL4A1‐related disorder mimicking congenital TORCH infections, highlighting the importance of recognizing genetic mimics in clinical practice.
BioLindlar Catalyst: Ene‐Reductase‐Promoted Selective Bioreduction of Cyanoalkynes to Give (Z)‐Cyanoalkenes
Authors: González‐Rodríguez Jorge , González‐Granda Sergio , Kumar Hirdesh , Alvizo Oscar , Escot Lorena , Hailes Helen C. , Gotor‐Fernández Vicente , Lavandera Iván 
Published: June 2024

AbstractThe direct synthesis of alkenes from alkynes usually requires the use of transition‐metal catalysts. Unfortunately, efficient biocatalytic alternatives for this transformation have yet to be discovered. Herein, the selective bioreduction of electron‐deficient alkynes to alkenes catalysed by ene‐reductases (EREDs) is described. Alkynes bearing ketone, aldehyde, ester, and nitrile moieties have been effectively reduced with excellent conversions and stereoselectivities, observing clear trends for the E/Z ratios depending on the nature of the electron‐withdrawing group. In the case of cyanoalkynes, (Z)‐alkenes were obtained as the major product, and the reaction scope was expanded to a wide variety of aromatic substrates (up to >99 % conversion, and Z/E stereoselectivities of up to >99/1). Other alkynes containing aldehyde, ketone, or ester functionalities also proved to be excellent substrates, and interestingly gave the corresponding (E)‐alkenes. Preparative biotransformations were performed on a 0.4 mmol scale, producing the desired (Z)‐cyanoalkenes with good to excellent isolated yields (63–97 %). This novel reactivity has been rationalised through molecular docking by predicting the binding poses of key molecules in the ERED‐pu‐0006 active site.
Topology Control of Covalent Organic Frameworks with Interlaced Unsaturated 2D and Saturated 3D Units for Boosting Electrocatalytic Hydrogen Peroxide Production
Authors: Wu Han , Li Lili , Chen Hongni , Xing Yali , Wang Zhong , Zhang Chuanhui , Long Xiaojing 
Published: June 2024

AbstractModulating the electronic state of multicomponent covalent organic framework (COF) electrocatalysts is crucial for enhancing catalytic activity. However, the effect of dimensionality on their physicochemical functionalities is still lacking. Herein, we report an interlaced unsaturated 2D and saturated 3D strategy to develop multicomponent‐regulated COFs with tunable gradient dimensionality for high selectivity and activity electrocatalysis. Compared with the two‐component 2D and 3D model COFs, the 2D/3D framework interlaced COFs with locally irregular dimensions and electronic structures are more practical in optimizing the intrinsic electrode surface reaction and mass transfer. Remarkably, the unsaturated 2D‐inserted 3D TAE‐COF regulates the adsorption mode of OOH* species to supply a favorable dynamic pathway for the H2O2 process, thereby achieving an excellent production rate of 8.50 mol gcat−1 h−1. Moreover, utilizing theoretical calculation and in situ ATR‐FTIR experiment, we found that the central carbon atom of the tetraphenyl‐based unit (site‐1 and site‐6) are potential active sites. This strategy of operating the adsorption ability of reactants with dimensionality‐interconnected building blocks provides an idea for designing durable and efficient electrocatalysts.
Biomechanical modeling of musculoskeletal function related to the terrestrial locomotion of Riojasuchus tenuisceps (Archosauria: Ornithosuchidae)
Authors: von Baczko M. Belen , Zariwala Juned , Ballentine Sarah Elizabeth , Desojo Julia B. , Hutchinson John R. 
Published: June 2024

AbstractRiojasuchus tenuisceps was a pseudosuchian archosaur from the Late Triassic period in Argentina. Like other ornithosuchids, it had unusual morphology such as a unique “crocodile‐reversed” ankle joint, a lesser trochanter as in dinosaurs and a few other archosaurs, robust vertebrae, and somewhat shortened, gracile forelimbs. Such traits have fuelled controversies about its locomotor function—were its limbs erect or “semi‐erect”? Was it quadrupedal or bipedal, or a mixture thereof? These controversies seem to persist because analyses have been qualitative (functional morphology) or correlative (morphometrics) rather than explicitly, quantitatively testing mechanistic hypotheses about locomotor function. Here, we develop a 3D whole‐body model of R. tenuisceps with the musculoskeletal apparatus of the hindlimbs represented in detail using a new muscle reconstruction. We use this model to quantify the body dimensions and hindlimb muscle leverages of this enigmatic taxon, and to estimate joint ranges of motion and qualitative joint functions. Our model supports prior arguments that R. tenuisceps used an erect posture, parasagittal gait and plantigrade pes. However, some of our inferences illuminate the rather contradictory nature of evidence from the musculoskeletal system of R. tenuisceps—different features support (or are ambiguous regarding) quadrupedalism or bipedalism. Deeper analyses of our biomechanical model could move toward a consensus regarding ornithosuchid locomotion. Answering these questions would not only help understand the palaeobiology and bizarre morphology of this clade, but also more broadly if (or how) locomotor abilities played a role in the survival versus extinction of various archosaur lineages during the end‐Triassic mass extinction event.
Whiteness and greenness assessments of a sensitive HPLC method with fluorimetric detection for dapagliflozin quantitation in human plasma: Application to a healthy human volunteer
Authors: Habeeb Maha R. , Morshedy Samir M. , Daabees Hoda G. , Elonsy Sohila M. 
Published: June 2024

AbstractThe evident ecological impact of human actions, like air pollution, global warming, and ozone depletion, underscores the need for environmentally friendly approaches across various domains, including analytical chemistry. This study aimed to establish a validated, eco‐friendly, and sustainable approach utilizing a fluorescence detector coupled with high‐performance liquid chromatography for quantifying the antihyperglycemic agent dapagliflozin (DAPA), in human plasma. This method employed a C18 Microsorb MV (4.5 × 250 mm, 5 μm [particle size]) column at 40°C, with 40:60% v/v isocratic elution of acetonitrile and (0.1%) orthophosphoric acid as the mobile phase at 1 mL/min flow rate. DAPA and the internal standard demonstrated their greatest response by performing excitation at 225 nm (λex) and recording chromatograms at an emission wavelength (λem) equal to 305 nm. The presented approach demonstrated high linearity between 50 and 2000 ng/mL and full adherence to the guidelines of the US Food and Drug Administration regarding the validation of bioanalytical methods. The described technique was effectively used for quantification of DAPA in human plasma samples from a healthy male participant who received a tablet of 10 mg DAPA. Analytical Eco‐Scale, Analytical GREEnness metric, and the recently created ChlorTox Scale were utilized for greenness assessment. Additionally, the “Red, Green, and Blue 12” model was used in whiteness evaluation.
Current scenario of pyrazole hybrids with anti‐breast cancer therapeutic applications
Authors: Ma Mengyu 
Published: June 2024

AbstractBreast cancer stands as the leading cause of cancer‐related deaths among women globally, but current therapy is restricted to the serious adverse effects and multidrug resistance, necessitating the exploration of novel, safe, and efficient anti‐breast cancer chemotherapeutic agents. Pyrazoles exhibit excellent potential for utilization as effective anti‐breast cancer agents due to their ability to act on various biological targets. Particularly, pyrazole hybrids demonstrated the advantage of targeting multiple pathways, and some of them, which are exemplified by larotrectinib (pyrazolo[1,5‐a]pyrimidine hybrid), can be applied for breast cancer therapy. Thus, pyrazole hybrids hold great promise as useful therapeutic interventions for breast cancer. The aim of this review is to summarize the current scenario of pyrazole hybrids with in vitro and/or in vivo anti‐breast cancer potential, along with the modes of action and structure–activity relationships, covering articles published from 2020 to the present, to streamline the development of rational, effective and safe anti‐breast cancer candidates.
Evaluation of thiopyrano[2,3‐d]thiazole derivatives as potential anticonvulsant agents
Authors: Davydov Eduard , Hoidyk Mykhailo , Shtrygol' Sergiy , Karkhut Andriy , Polovkovych Svyatoslav , Klyuchivska Olga , Karpenko Olexandr , Lesyk Roman , Holota Serhii 
Published: June 2024

AbstractAnticonvulsant drug discovery has achieved significant progress; however, pharmacotherapy of epilepsy continues to be a challenge for modern medicine and pharmacy. To expand the chemical space of heterocycles as potential antiepileptic agents, herein we report on the synthesis and evaluation of anticonvulsant properties of a series of thiopyrano[2,3‐d]thiazoles. The studied heterocycles are characterized by satisfactory drug‐likeness and pharmacokinetics properties, calculated in silico using SwissADME. The anticonvulsant activity of thiopyrano[2,3‐d]thiazole derivatives was evaluated in vivo using the subcutaneous pentylenetetrazole test. Three hits, that is, compounds 12, 14, and 16, that caused a pronounced anticonvulsant effect were identified. Derivatives 12, 14, and 16 positively affected the latent period of onset of clonic seizures, number of seizures, mortality rate, and duration of the seizure period of animals under experimental conditions. The anticonvulsant properties of compound 14 were equivalent to the effect of the reference drug, sodium valproate. All hit compounds are characterized by satisfying toxicity properties in the human lymphocytes and HEK293 cell line. The most active hit 14 possesses a potential affinity with the GABAA receptor in the molecular docking study and forms a stable complex in the molecular dynamics experiments equal to diazepam. Preliminary SAR results were obtained and discussed based on screening data.