A proposal for regularly updated review/survey articles: "Perpetual Reviews"

We advocate the publication of review/survey articles that will be updated regularly, both in traditional journals and novel venues. We call these "perpetual reviews." This idea naturally builds on the dissemination and archival capabilities present in the modern internet, and indeed perpetual reviews exist already in some forms. Perpetual review articles allow authors to maintain over time the relevance of non-research scholarship that requires a significant investment of effort. Further, such reviews published in a purely electronic format without space constraints can also permit more pedagogical scholarship and clearer treatment of technical issues that remain obscure in a brief treatment.Comment: This is a draft white paper and we seek comments from the communit

RiteWeight: Randomized Iterative Trajectory Reweighting for Steady-State Distributions Without Discretization Error

Molecular dynamics (MD) and enhanced sampling simulations have become fundamental tools for studying biomolecular events. A significant challenge in these simulations is ensuring that sampled configurations and transitions converge to the stationary distribution of interest, whether equilibrium or nonequilibrium. Lack of convergence constrains the estimation of mechanisms, free energy, and rates of complex molecular events. Here, we introduce the "Randomized Iterative Trajectory Reweighting" (RiteWeight) algorithm to estimate a stationary distribution from unconverged simulation data. This method iteratively reweights trajectories in a self-consistent way by solving for the stationary distribution using a discrete-state transition matrix, employing a new random clustering in each iteration. The iterative random clustering mitigates the phase-space discretization error inherent in existing trajectory reweighting techniques based on one-shot clustering and ultimately yields numerically unbiased, quasi-continuous configuration-space distributions and estimates of observables. We demonstrate the efficacy of RiteWeight using Trp-Cage synthetic MD trajectories.Comment: 11 pages, 4 figure

Transition-Event Durations in One Dimensional Activated Processes

Despite their importance in activated processes, transition-event durations -- which are much shorter than first passage times -- have not received a complete theoretical treatment. We therefore study the distribution of durations of transition events over a barrier in a one-dimensional system undergoing over-damped Langevin dynamics.Comment: 39 pages, 11 figure

HST and Spitzer Observations of the HD 207129 Debris Ring

A debris ring around the star HD 207129 (G0V; d = 16.0 pc) has been imaged in scattered visible light with the ACS coronagraph on the Hubble Space Telescope and in thermal emission using MIPS on the Spitzer Space Telescope at 70 microns (resolved) and 160 microns (unresolved). Spitzer IRS (7-35 microns) and MIPS (55-90 microns) spectrographs measured disk emission at >28 microns. In the HST image the disk appears as a ~30 AU wide ring with a mean radius of ~163 AU and is inclined by 60 degrees from pole-on. At 70 microns it appears partially resolved and is elongated in the same direction and with nearly the same size as seen with HST in scattered light. At 0.6 microns the ring shows no significant brightness asymmetry, implying little or no forward scattering by its constituent dust. With a mean surface brightness of V=23.7 mag per square arcsec, it is the faintest disk imaged to date in scattered light.Comment: 28 pages, 8 figure

Piperacillin-Induced Immune Hemolytic Anemia in an Adult with Cystic Fibrosis

We report a case of drug-induced immune hemolytic anemia (DIIHA) in an adult female with cystic fibrosis (CF), complicating routine treatment of a pulmonary exacerbation with intravenous piperacillin-tazobactam. Workup revealed a positive direct antiglobulin test (DAT) due to red blood cell (RBC)-bound IgG and C3 and piperacillin antibodies detectable in the patient's serum. The potential influence of CF transmembrane conductance regulator mutations on the severity of DIIHA is discussed. This report illustrates the importance of early identification of DIIHA, a rare complication of a commonly utilized medication in CF