EMhub: a web platform for data management and on-the-fly processing in scientific facilities.

Most scientific facilities produce large amounts of heterogeneous data at a rapid pace. Managing users, instruments, reports and invoices presents additional challenges. To address these challenges, EMhub, a web platform designed to support the daily operations and record-keeping of a scientific facility, has been introduced.

Opportunities for Improving Antimicrobial Stewardship: Findings From a Prospective, Multi-Center Study in Three Low- or Middle-Income Countries.

Background: To develop effective antimicrobial stewardship programs (ASPs) for low- and middle-income countries (LMICs), it is important to identify key targets for improving antimicrobial use. We sought to systematically describe the prevalence and patterns of antimicrobial use in three LMIC hospitals.

Methods: Consecutive patients admitted to the adult medical wards in three tertiary care hospitals in Tanzania, Kenya, and Sri Lanka were enrolled in 2018-2019.

Quantum-enhanced sensing of displacements and electric fields with two-dimensional trapped-ion crystals.

Fully controllable ultracold atomic systems are creating opportunities for quantum sensing, yet demonstrating a quantum advantage in useful applications by harnessing entanglement remains a challenging task. Here, we realize a many-body quantum-enhanced sensor to detect displacements and electric fields using a crystal of ~150 trapped ions. The center-of-mass vibrational mode of the crystal serves as a high- mechanical oscillator, and the collective electronic spin serves as the measurement device.

Rectal Squamous Cell Cancer.

Squamous cell carcinoma occurring in the rectum is one of the rare malignancies that has been discovered. Most squamous cell carcinomas that surface in the gastrointestinal tract tend to occur in either the esophagus or the anal canal. However, the rare incidence of rectal squamous cell carcinomas has raised quite a few questions on the hypothetical etiologies, prognosis, and optimal treatment sequence of such a disease course in modern medicine.

Barriers to implementing antimicrobial stewardship programs in three low- and middle-income country tertiary care settings: findings from a multi-site qualitative study.

Background: Antimicrobial resistance has been named as one of the top ten threats to public health in the world. Hospital-based antimicrobial stewardship programs (ASPs) can help reduce antimicrobial resistance. The purpose of this study was to determine perceived barriers to the development and implementation of ASPs in tertiary care centers in three low- and middle-income countries (LMICs).

Discovery of -(3,4-Dimethylphenyl)-4-(4-isobutyrylphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-]quinoline-8-sulfonamide as a Potent Dual MDM2/XIAP Inhibitor.

Murine double minute 2 (MDM2) and X-linked inhibitor of apoptosis protein (XIAP) are important cell survival proteins in tumor cells. As a dual MDM2/XIAP inhibitor reported previously, compound MX69 has low potency with an IC value of 7.5 μM against an acute lymphoblastic leukemia cell line EU-1.

Survival Outcomes of Vietnamese People with HIV after Initiating Antiretroviral Treatment: Role of Clinic-Related Factors.

Given the rapid development of HIV clinics in Vietnam, this study evaluates the infrastructure surrounding this expansion, identifying clinic-related factors that impact survival outcomes. A retrospective longitudinal study was conducted among people living with HIV (PLWH) who initiated antiretroviral therapy (ART) between 2011 and 2015 among 62 ART clinics in 15 provinces. The mortality rate during the 717674.

Broadening of the drumhead-mode spectrum due to in-plane thermal fluctuations of two-dimensional trapped ion crystals in a Penning trap.

Two-dimensional crystals of ions stored in Penning traps are a leading platform for quantum simulation and sensing experiments. For small amplitudes, the out-of-plane motion of such crystals can be described by a discrete set of normal modes called the drumhead modes, which can be used to implement a range of quantum information protocols. However, experimental observations of crystals with Doppler-cooled and even near-ground-state-cooled drumhead modes reveal an unresolved drumhead-mode spectrum.

"Pain is Subjective": A Mixed-Methods Study of Provider Attitudes and Practices Regarding Pain Management in Sickle Cell Disease Across Three Countries.

Context: Sickle cell disease (SCD), an autosomal recessive blood disorder, affects millions of people worldwide. Approximately 80% of all cases are located in Africa.

Objectives: This cross-national, interdisciplinary, collaborative study investigated provider attitudes about, and practices for, managing (assessing and treating) SCD pain.

Generating Greenberger-Horne-Zeilinger states with squeezing and postselection.

Many quantum state preparation methods rely on a combination of dissipative quantum state initialization followed by unitary evolution to a desired target state. Here we demonstrate the usefulness of quantum measurement as an additional tool for quantum state preparation. Starting from a pure separable multipartite state, a control sequence, which includes rotation, spin squeezing via one-axis twisting, quantum measurement, and postselection, generates highly entangled multipartite states, which we refer to as (PS) states.

Identification of rapid access to polycyclic systems via a base-catalyzed cascade cyclization reaction and their biological evaluation.

A base-mediated cascade reaction between malonate esters and acrolein was developed to access complex polycyclic systems. This novel tandem reaction enables the simultaneous generation of up to seven new bonds and at least three new stereogenic centers. Mechanistic studies indicate a series of nucleophilic 1,4 and 1,6 Michael addition reactions occur, followed by an aldol condensation reaction, culminating in the formation of three fused rings.

Does physician engagement affect satisfaction of patients or resident physicians?

This study examined whether change in physician engagement affected outpatient or resident physician satisfaction using common US measures. Surveys were administered by Advisory Board Survey Solutions for staff physician engagement, Press Ganey for Clinician and Group Consumer Assessment of Healthcare Providers and Systems (CGCAHPS) for outpatient satisfaction, and Accreditation Council for Graduate Medical Education (ACGME) for the ACGME Resident/Fellow Survey. Survey sample sizes were 685, 697, and 763 for physician engagement and 621, 625, and 618 for resident satisfaction in 2014-2016, respectively; only respondents were available for CGCAHPS (24,302, 34,328, and 43,100 for 2014-2016, respectively).

Studies of Jatrogossone A as a Reactive Oxygen Species Inducer in Cancer Cellular Models.

Natural products continue to provide a platform to study biological systems. A bioguided study of cancer cell models led us to a new member of the jatrophane natural products from Jatropha gossypiifolia, which was independently identified and characterized as jatrogossone A (1). Purification and structure elucidation was performed by column chromatography and high-performance liquid chromatography-mass spectrometry and NMR techniques, and the structure was confirmed via X-ray crystallography.

Near Ground-State Cooling of Two-Dimensional Trapped-Ion Crystals with More than 100 Ions.

We experimentally study electromagnetically induced transparency cooling of the drumhead modes of planar two-dimensional arrays with up to N≈190 Be^{+} ions stored in a Penning trap. Substantial sub-Doppler cooling is observed for all N drumhead modes. Quantitative measurements for the center-of-mass mode show near ground-state cooling with motional quantum numbers of n[over ¯]=0.

Trapped Ion Quantum Information Processing with Squeezed Phonons.

Trapped ions offer a pristine platform for quantum computation and simulation, but improving their coherence remains a crucial challenge. Here, we propose and analyze a new strategy to enhance the coherent interactions in trapped ion systems via parametric amplification of the ions' motion-by squeezing the collective motional modes (phonons), the spin-spin interactions they mediate can be significantly enhanced. We illustrate the power of this approach by showing how it can enhance collective spin states useful for quantum metrology, and how it can improve the speed and fidelity of two-qubit gates in multi-ion systems, important ingredients for scalable trapped ion quantum computation.

Stroboscopic approach to trapped-ion quantum information processing with squeezed phonons.

In trapped-ion quantum information processing, interactions between spins (qubits) are mediated by collective modes of motion of an ion crystal. While there are many different experimental strategies to design such interactions, they all face both technical and fundamental limitations to the achievable coherent interaction strength. In general, obtaining strong interactions and fast gates is an ongoing challenge.

Electronic and Steric Tuning of Catalytic H Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands.

Structural modifications of molecular cobalt catalysts have provided important insights into the structure-function relationship for the hydrogen evolution reaction. We have shown that replacement of equatorial pyridines with more basic and conjugate isoquinoline groups of a pentadentate ligand results in lower overpotential and higher catalytic activity for electro- and photolytic H production in aqueous solutions. To fully understand the electronic and steric effects of the axial group that lies trans to the proposed cobalt hydride intermediate, isoquinoline groups were introduced in two new pentadentate ligands, N, N-bis(2-pyridinylmethyl)[3-(2-pyridinyl)isoquinoline)]-1-methanamine (DPA-1-MPI) and N, N-bis(2-pyridinylmethyl)[1-(2-pyridinyl)-isoquinoline)]-3-methanamine (DPA-3-MPI).

1α,20S-Dihydroxyvitamin D Interacts with Vitamin D Receptor: Crystal Structure and Route of Chemical Synthesis.

1α,20S-Dihydroxyvitamin D3 [1,20S(OH)D], a natural and bioactive vitamin D3 metabolite, was chemically synthesized for the first time. X-ray crystallography analysis of intermediate 15 confirmed its 1α-OH configuration. 1,20S(OH)D interacts with the vitamin D receptor (VDR), with similar potency to its native ligand, 1α,25-dihydroxyvitamin D [1,25(OH)D] as illustrated by its ability to stimulate translocation of the VDR to the nucleus, stimulate VDRE-reporter activity, regulate VDR downstream genes (VDR, CYP24A1, TRPV6 and CYP27B1), and inhibit the production of inflammatory markers (IFNγ and IL1β).

Selective Inhibitors of Human Liver Carboxylesterase Based on a β-Lapachone Scaffold: Novel Reagents for Reaction Profiling.

Carboxylesterases (CEs) are ubiquitous enzymes that are responsible for the metabolism of xenobiotics, including drugs such as irinotecan and oseltamivir. Inhibition of CEs significantly modulates the efficacy of such agents. We report here that β-lapachone is a potent, reversible CE inhibitor with K values in the nanomolar range.

Structure-Activity Relationships of Spectinamide Antituberculosis Agents: A Dissection of Ribosomal Inhibition and Native Efflux Avoidance Contributions.

Spectinamides are a novel class of antitubercular agents with the potential to treat drug-resistant tuberculosis infections. Their antitubercular activity is derived from both ribosomal affinity and their ability to overcome intrinsic efflux mediated by the Mycobacterium tuberculosis Rv1258c efflux pump. This study explores the structure-activity relationships through analysis of 50 targeted spectinamides.

Quantum spin dynamics and entanglement generation with hundreds of trapped ions.

Quantum simulation of spin models can provide insight into problems that are difficult or impossible to study with classical computers. Trapped ions are an established platform for quantum simulation, but only systems with fewer than 20 ions have demonstrated quantum correlations. We studied quantum spin dynamics arising from an engineered, homogeneous Ising interaction in a two-dimensional array of (9)Be(+) ions in a Penning trap.

Spectroscopy and thermometry of drumhead modes in a mesoscopic trapped-ion crystal using entanglement.

We demonstrate spectroscopy and thermometry of individual motional modes in a mesoscopic 2D ion array using entanglement-induced decoherence as a method of transduction. Our system is a ~400 μm-diameter planar crystal of several hundred 9Be(+) ions exhibiting complex drumhead modes in the confining potential of a Penning trap. Exploiting precise control over the 9Be(+) valence electron spins, we apply a homogeneous spin-dependent optical dipole force to excite arbitrary transverse modes with an effective wavelength approaching the interparticle spacing (~20 μm).

Engineered two-dimensional Ising interactions in a trapped-ion quantum simulator with hundreds of spins.

The presence of long-range quantum spin correlations underlies a variety of physical phenomena in condensed-matter systems, potentially including high-temperature superconductivity. However, many properties of exotic, strongly correlated spin systems, such as spin liquids, have proved difficult to study, in part because calculations involving N-body entanglement become intractable for as few as N ≈ 30 particles. Feynman predicted that a quantum simulator--a special-purpose 'analogue' processor built using quantum bits (qubits)--would be inherently suited to solving such problems.