gebhart/patrepeval huggingface dataset:
Langmuir Film (2016)

In the past, aggregation and self-assembly have been associated principally with micellar and colloidal systems of molecules; however, with the advent of supramolecular chemistry, molecular self-assembly has been opened to a much wider understanding that has facilitated access to a variety of different shapes and sizes, along with the construction of new and fascinating molecular topologies. This document aims at defining more than 150 terms related to aggregation and self-assembly in the particular case of macromolecules. The list is restricted to the most commonly encountered terms.
Simplifying Submission Requirements for the Journal of Medicinal Chemistry (2021)

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTSimplifying Submission Requirements for the Journal of Medicinal ChemistryCraig W. LindsleyCraig W. LindsleyMore by Craig W. Lindsleyhttps://orcid.org/0000-0003-0168-1445, James BarrowJames BarrowMore by James Barrowhttps://orcid.org/0000-0001-5115-9300, Kelly ChibaleKelly ChibaleMore by Kelly Chibalehttps://orcid.org/0000-0002-1327-4727, Maria Laura BolognesiMaria Laura BolognesiMore by Maria Laura Bolognesihttps://orcid.org/0000-0002-1289-5361, Stuart ConwayStuart ConwayMore by Stuart Conwayhttps://orcid.org/0000-0002-5148-117X, William DennyWilliam DennyMore by William Dennyhttps://orcid.org/0000-0001-7997-1843, Ke DingKe DingMore by Ke Dinghttps://orcid.org/0000-0001-9016-812X, Stefan LauferStefan LauferMore by Stefan Lauferhttps://orcid.org/0000-0001-6952-1486, Luhua LaiLuhua LaiMore by Luhua Laihttps://orcid.org/0000-0002-8343-7587, Hong LiuHong LiuMore by Hong Liuhttps://orcid.org/0000-0003-3685-6268, Nouri NeamatiNouri NeamatiMore by Nouri Neamatihttps://orcid.org/0000-0003-3291-7131, Takayoshi SuzukiTakayoshi SuzukiMore by Takayoshi Suzukihttps://orcid.org/0000-0003-2439-879X, Nicholas MeanwellNicholas MeanwellMore by Nicholas Meanwellhttps://orcid.org/0000-0002-8857-1515, and Wendy YoungWendy YoungMore by Wendy Younghttps://orcid.org/0000-0001-9584-6233Cite this: J. Med. Chem. 2021, 64, 12, 7877–7878Publication Date (Web):June 15, 2021Publication History Published online15 June 2021Published inissue 24 June 2021https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c00528https://doi.org/10.1021/acs.jmedchem.1c00528editorialACS PublicationsCopyright © 2021 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views8426Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail PDF (709 KB) Get e-AlertscloseSUBJECTS:Color,Computational modeling,Drug discovery,High-performance liquid chromatography,Medicinal chemistry Get e-Alerts
Corneal temperature in schizophrenia patients (2005)

Most data imply that dopaminergic transmission is essential for proper hypothalamic-mediated core temperature regulation. Altered central dopaminergic transmission is suggested to be involved in the pathophysiology of schizophrenia. Thus, hypothetically, schizophrenia patients might be at increased risk of developing thermoregulatory dysregulation manifested by alterations in core temperature, as well as in peripheral tissue, the temperature of which has been shown to correlate with core temperature (e.g. cornea). Previous small pilot studies of ours showed that schizophrenia patients may exhibit corneal temperature abnormalities. Hence, we assessed corneal temperature in a controlled sample of drug-free ( n =11) and medicated ( n =28) schizophrenia patients compared to healthy comparison subjects ( n =9), using a FLIR thermal imaging camera. Drug-free schizophrenia patients exhibited significantly higher corneal temperature compared to healthy subjects, typical antipsychotic drug (APD)-treated patients ( n =16) and atypical APD-treated patients ( n =12) (37.08+/-1.46 degrees C vs. 33.37+/-2.51 degrees C, 31.08+/-1.43 degrees C and 31.67+/-0.44 degrees C respectively, p <0.0001; p <0.001 vs. each group separately). The healthy comparison subjects and the atypical APD-treated patients exhibited comparable corneal temperatures and these two groups exhibited higher corneal temperatures compared to the typical APD-treated patients ( p <0.01 and p =0.051 respectively). In conclusion, this study indicates that drug-free schizophrenia patients exhibit substantially higher corneal temperature compared to healthy comparison subjects or medicated patients, and that APDs may decrease corneal temperature either to normal (atypical APD) or to subnormal (typical APD) values. The relevance of these phenomena to the pathophysiology of schizophrenia, the biological mechanism underlying drug-induced corneal temperature alterations, the possible role of temperature-lowering drugs (neuroleptics or non-neuroleptics) on schizophrenic psychosis as well as the role of corneal temperature as a tool to evaluate adherence to APD treatment merit further investigation via larger samples of both medicated and drug-free schizophrenia patients compared to matched controlled subjects.
Investigation of the surface morphology of capped CdSe nanocrystallites by 31P nuclear magnetic resonance (1994)

Room temperature 31P magic angle sample spinning (MAS) nuclear magnetic resonance (NMR) is used to study the phosphine chalconide species coordinating the surface of CdSe nanocrystallites. Two surface species are identified: trioctylphosphine oxide (TOPO) and trioctylphosphine selenide (TOPSe). The TOPO coordinates Cd surface sites while trioctylphosphine (TOP) coordinates Se to produce surface TOPSe species. Chemical removal of TOPSe linkages produces CdSe nanocrystallites passivated exclusively with TOPO. A double resonance experiment (31P and 77Se) characterizes the TOPSe species. Quantitative studies indicate coordination to nearly all surface Cd atoms and allows the development of a model for the morphology of an average crystallite surface.
Liquid-crystal-based mm-wave tunable resonator (2010)

A new tunable planar resonator based on nematic liquid crystals (LC) substrate for applications at mm-wave frequencies is presented. The proposed structure utilizes an electric field bias to align the LC molecules, offering direct control over the dielectric properties (anisotropy) of the LC substrate. The LC used is a mixture commonly referred to as E7. A tunability of about 6% is achieved in the 30 – 60 GHz range; i.e. 1.94 GHz around 30 GHz and 3.58 GHz around 60 GHz. The proposed structure can also be exploited to realize miniaturized tunable filters with wide tuning range at mm-wave/microwave frequencies.
Acute medical assessment units: an efficient alternative to in-hospital acute medical care (2011)

Acute Medical Assessment Units (AMAUs) are being proposed as an alternative to congested Emergency Departments (EDs for the assessment of patients with a range of acute medical problems. We retrospectively reviewed the discharge destination of patients referred to a newly established AMAU during a six-month period. During the same period we contrasted activity in the ED for a similar group of patients. 1,562 patients were assessed in the AMAU. 196 (12.5%) were admitted to an in-patient bed and 1,148 (73.5%) were entered into specific diagnosis-driven out-patient pathways. 1,465 patients attended the ED and 635 (43.3%) were admitted. Out-patient alternatives to expensive in-patient care need to be provided at the 'coal face" of acute referral. The AMAU provides this, and as a consequence admission rates are relatively low. This is achieved by directly communicating with GPs, accessing senior clinical decision makers, and providing immediate access to diagnostically driven outpatient pathways.
Single sperm analysis of the trinucleotide repeat in the Huntington`s disease gene (1994)

Huntington`s disease (HD) is one of several genetic diseases caused by trinucleotide repeat expansion. The CAG repeat is very unstable, with size changes occurring in more than 80% of transmissions. The degree of instability of this repeat in the male germline can be determined by analysis of individual sperm cells. An easy and sensitive PCR assay has been developed to amplify this trinucleotide repeat region from single sperm using two rounds of PCR. As many as 90% of the single sperm show amplification for the HD repeat. The PCR product can be easily detected on an ethidium bromide-stained agarose gel. Single sperm samples from an HD patient with 18 and 49 repeats were studied. We observed size variations for the expanded alleles while the size of the normal allele in sperm is very consistent. We did not detect any significant bias in the amplification of normal alleles over the larger HD alleles. Our preliminary study supports the observation made by PCR of total sperm that instability of the HD trinucleotide repeat occurs in the germline. HD preimplantation diagnosis on single embryo blastomeres may also possible.
Correction: Estrogen Mediated-Activation of miR-191/425 Cluster Modulates Tumorigenicity of Breast Cancer Cells Depending on Estrogen Receptor Status (2013)

MicroRNAs (miRNAs), single-stranded non-coding RNAs, influence myriad biological processes that can contribute to cancer. Although tumor-suppressive and oncogenic functions have been characterized for some miRNAs, the majority of microRNAs have not been investigated for their ability to promote and modulate tumorigenesis. Here, we established that the miR-191/425 cluster is transcriptionally dependent on the host gene, DALRD3, and that the hormone 17b-estradiol (estrogen or E2) controls expression of both miR-191/425 and DALRD3. MiR-191/425 locus characterization revealed that the recruitment of estrogen receptor a (ERa) to the regulatory region of the miR-191/425-DALRD3 unit resulted in the accumulation of miR-191 and miR-425 and subsequent decrease in DALRD3 expression levels. We demonstrated that miR-191 protects ERa positive breast cancer cells from hormone starvation-induced apoptosis through the suppression of tumor-suppressor EGR1. Furthermore, enforced expression of the miR-191/425 cluster in aggressive breast cancer cells altered global gene expression profiles and enabled us to identify important tumor promoting genes, including SATB1, CCND2, and FSCN1, as targets of miR-191 and miR-425. Finally, in vitro and in vivo experiments demonstrated that miR-191 and miR-425 reduced proliferation, impaired tumorigenesis and metastasis, and increased expression of epithelial markers in aggressive breast cancer cells. Our data provide compelling evidence for the transcriptional regulation of the miR-191/ 425 cluster and for its context-specific biological determinants in breast cancers. Importantly, we demonstrated that the miR-191/425 cluster, by reducing the expression of an extensive network of genes, has a fundamental impact on cancer initiation and progression of breast cancer cells.
Table S5 from Whole-Genome Sequencing of Salivary Gland Adenoid Cystic Carcinoma (2023)

&lt;p&gt;NFIB fusion genes.&lt;/p&gt;
On the Development of Titanium κ1‐Amidinate Complexes, Commercialized as Keltan ACE™ Technology, Enabling the Production of an Unprecedented Large Variety of EPDM Polymer Structures (2017)

ABSTRACT ARLANXEO Elastomers has developed and commercialized Keltan ACE™ technology, a class of half‐sandwich cyclopentadienyl κ 1 ‐amidinate metal complexes, which are extremely active for the production of first‐class ethylene/propylene/diene copolymers (EPDM). In this review, the development and some of the key features of the Keltan ACE™ catalyst system are presented. Many different ACE catalysts have been synthesized over the past years, including bridged and bimetallic catalysts. With Keltan ACE™, a complete range of EPDM products with similar polymer characteristics as their Ziegler–Natta (ZN) counterparts can be produced, including variations containing very high 5‐ethylidene‐2‐norbornene (ENB) contents, controlled long chain branching, very high molecular weight, as well as oil‐extended products. Moreover, other EPDM structures can be polymerized. The Keltan ACE™ catalyst technology also allows the production of EPDMs with very high amounts of dicyclopentadiene (DCPD) or 5‐vinyl 2‐norbornene (VNB) without excessive gelation and reactor fouling, that is, products that cannot or are extremely difficult to obtain via classical ZN catalysis. In a next step, high‐VNB‐EPDM can be postreactor modified, for example, via metathesis chemistry. In addition, EPDM polymers with a very broad or even bimodal molecular weight distribution can be obtained in a single reactor with certain ACE catalyst structures at particular activator/precatalyst ratios. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017 , 55 , 2877–2891
Creating a shared musical interpretation: Changes in coordination dynamics while learning unfamiliar music together (2022)

The ability to coordinate with others is fundamental for humans to achieve shared goals. Often, harmonious interpersonal coordination requires learning, such as ensemble musicians rehearing together to synchronize their low-level timing and high-level aesthetic musical expressions. We investigated how the coordination dynamics of a professional string quartet changed as they learned unfamiliar pieces together across eight trials. During all trials, we recorded each musician's body sway motion data, and quantified the group's body sway similarity (cross-correlation) and information flow (Granger causality) on each trial. In line with our hypothesis, group similarity increased, while group information flow decreased significantly across trials. In addition, there was a trend such that group similarity, but not information flow, was related to the quality of the performances. As the ensemble converged on a joint interpretation through rehearsing, their body sways reflected the change from interpersonal information flow for coordinative mutual adaptations and corrections, to synchronous musical coordination made possible by the musicians learning a common internally based expressive interpretation.
Kinetochore Function and Chromosome Segregation Rely on Critical Residues in Histones H3 and H4 in Budding Yeast (2013)

Accurate chromosome segregation requires that sister kinetochores biorient and attach to microtubules from opposite poles. Kinetochore biorientation relies on the underlying centromeric chromatin, which provides a platform to assemble the kinetochore and to recruit the regulatory factors that ensure the high fidelity of this process. To identify the centromeric chromatin determinants that contribute to chromosome segregation, we performed two complementary unbiased genetic screens using a library of budding yeast mutants in every residue of histone H3 and H4. In one screen, we identified mutants that lead to increased loss of a nonessential chromosome. In the second screen, we isolated mutants whose viability depends on a key regulator of biorientation, the Aurora B protein kinase. Nine mutants were common to both screens and exhibited kinetochore biorientation defects. Four of the mutants map near the unstructured nucleosome entry site, and their genetic interaction with reduced IPL1 can be suppressed by increasing the dosage of SGO1, a key regulator of biorientation. In addition, the composition of purified kinetochores was altered in six of the mutants. Together, this work identifies previously unknown histone residues involved in chromosome segregation and lays the foundation for future studies on the role of the underlying chromatin structure in chromosome segregation.
Phosphorylation of Human gp130 at Ser-782 Adjacent to the Di-leucine Internalization Motif (2000)

The receptor for leukemia inhibitory factor (LIF) consists of two polypeptides, the LIF receptor and gp130. Agonist stimulation has been shown previously to cause phosphorylation of gp130 on serine, threonine, and tyrosine residues. We found that gp130 fusion proteins were phosphorylated exclusively on Ser-782 by LIF- and growth factor-stimulated 3T3-L1 cell extracts. Ser-780 was required for phosphorylation of Ser-782 but was not itself phosphorylated. Ser-782 is located immediately N-terminal to the di-leucine motif of gp130, which regulates internalization of the receptor. Transient expression of chimeric granulocyte colony-stimulating factor receptor (G-CSFR)-gp130(S782A) receptors resulted in increased cell surface expression in COS-7 cells and increased ability to induce vasoactive intestinal peptide gene expression in IMR-32 neuroblastoma cells when compared with expression of chimeric receptors containing wild-type gp130 cytoplasmic domains. These results identify Ser-782 as the major phosphorylated serine residue in human gp130 and indicate that this site regulates cell surface expression of the receptor polypeptide.
Roughness characterization of smooth machined surfaces by light scattering (1975)

Characterization of surface roughness has generally been limited to rms deviation from the mean and occasionally the autocorrelation length. By considering the surface to be a superposition of many sinusoidal gratings, the surface spectral density function (SDF) has been calculated from measurements of the light scattered out of a reflected He-Ne laser beam. By rotating the sample, the SDF can be found for anisotropic surfaces (such as machined surfaces). The SDF allows examination of roughness as a function of spatial frequency, which is important for many applications. Interferometric and scattering results are compared for a rough (350-Arms) machined surface, and finally a smooth (50-Arms) diamond machined surface is characterized.
ChemInform Abstract: DIRECT SYNTHESIS USING GOLD ATOMS‐ SYNTHESIS, INFRARED AND ULTRAVIOLET‐VISIBLE SPECTRA AND MOLECULAR ORBITAL INVESTIGATIONS OF MONOETHYLENE GOLD(0), (C2H4)AU (1977)

Abstract Bei 8 ‐ 10°K können Goldatome (I) mit markiertem Äthylen (II) zu (III) umgesetzt werden.
Orientational and Dynamical Heterogeneity of Rhodamine 6G Terminally Attached to a DNA Helix Revealed by NMR and Single-Molecule Fluorescence Spectroscopy (2007)

The comparison of Förster resonance energy transfer (FRET) efficiencies between two fluorophores covalently attached to a single protein or DNA molecule is an elegant approach for deducing information about their structural and dynamical heterogeneity. For a more detailed structural interpretation of single-molecule FRET assays, information about the positions as well as the dynamics of the dye labels attached to the biomolecule is important. In this work, Rhodamine 6G (2-[3'-(ethylamino)-6'-(ethylimino)-2',7'-dimethyl-6'H-xanthen-9'-yl]-benzoic acid) bound to the 5'-end of a 20 base pair long DNA duplex is investigated by both single-molecule multiparameter fluorescence detection (MFD) experiments and NMR spectroscopy. Rhodamine 6G is commonly employed in nucleic acid research as a FRET dye. MFD experiments directly reveal the equilibrium of the dye bound to DNA between three heterogeneous environments, which are characterized by distinct fluorescence lifetime and intensity distributions as a result of different guanine-dye excited-state electron transfer interactions. Sub-ensemble fluorescence autocorrelation analysis shows the highly dynamic character of the dye-DNA interactions ranging from nano- to milliseconds and species-specific triplet relaxation times. Two-dimensional NMR spectroscopy corroborates this information by the determination of the detailed geometric structures of the dye-nucleobase complex and their assignment to each population observed in the single-molecule fluorescence experiments. From both methods, a consistent and detailed molecular description of the structural and dynamical heterogeneity is obtained.
Fire protection of polypropylene and polycarbonate by intumescent coatings (2010)

Abstract An innovative way to improve fire‐retardant properties of different polymers by applying intumescent coatings on their surface has been studied. Two polymers have been investigated: polypropylene and polycarbonate. The surfaces were first subjected to a flaming treatment in order to clean them and to increase their wettability and thus improve the adhesion of the coatings. Two different formulations were then applied: a transparent intumescent varnish, based on an acrylic resin, and an intumescent coating based on polyvinylacetate resin. Different parameters have been obtained using several fire tests. The cone calorimeter, the limiting oxygen index and UL94 tests have been carried out to evaluate the fire‐retardant properties obtained for both the intumescent coating and the intumescent varnish. Results clearly evidence an outstanding improvement of the fire‐retardant properties using intumescent coatings without any incorporation of flame retardants in the bulk. Copyright © 2010 John Wiley &amp; Sons, Ltd.
ChemInform Abstract: Medetomidine Analogues as α2‐Adrenergic Ligands. Part 3. Synthesis and Biological Evaluation of a New Series of Medetomidine Analogues and Their Potential Binding Interactions with α2‐ Adrenoceptors Involving a “Methyl Pocket”. (1997)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
79 Cytokine supplementation to improve developmental competence of bovine embryos following slow-rate freezing (2021)

Reproduction, Fertility and Development is an international journal publishing original research , review and comment in the fields of reproduction and developmental biology in humans, domestic animals and wildlife
Minimal Maximum-Level Programming: Faster memory access via multi-level cell sharing (2013)

In multi-level-cell (MLC) memory such as Flash and Phase-change memory, shrinking cell size and the growing number of levels per cell worsen the access-rate to capacity ratio and even reduce access rate. We present Minimal Maximum-Level Programming (MMLP), a scheme for expediting cell writing by sharing physical cells among multiple data pages and exploiting the fact that making moderate changes to a cell's level is faster than making large ones. Reading is also expedited by requiring fewer reference comparisons. In a four-level cell example, we achieve a 32% reduction in write/read latency relative to prior art with negligible area overhead.